Observation of millimeter-wave oscillations from resonant tunneling diodes and some theoretical considerations of ultimate frequency limits

NASA Technical Reports Server (NTRS)

Sollner, T. C. L. G.; Brown, E. R.; Goodhue, W. D.; Le, H. Q.

1987-01-01

Recent observations of oscillation frequencies up to 56 GHz in resonant tunneling structures are discussed in relation to calculations by several authors of the ultimate frequency limits of these devices. It is found that calculations relying on the Wentzel-Kramers-Brillouin (WKB) approximation give limits well below the observed oscillation frequencies. Two other techniques for calculating the upper frequency limit were found to give more reasonable results. One method employs the solution of the time-dependent Schroedinger equation obtained by Kundrotas and Dargys (1986); the other uses the energy width of the transmission function for electrons through the double-barrier structure. This last technique is believed to be the most accurate since it is based on general results for the lifetime of any resonant state. It gives frequency limits on the order of 1 THz for two recently fabricated structures. It appears that the primary limitation of the oscillation frequency for double-barrier resonant-tunneling diodes is imposed by intrinsic device circuit parameters and by the transit time of the depletion layer rather than by time delays encountered in the double-barrier region.

Electron transport through triangular potential barriers with doping-induced disorder

NASA Astrophysics Data System (ADS)

Elpelt, R.; Wolst, O.; Willenberg, H.; Malzer, S.; Döhler, G. H.

2004-05-01

Electron transport through single-, double-, and triple-barrier structures created by the insertion of suitably δ-doped layers in GaAs is investigated. The results are compared with experiments on barriers of similar shape, but obtained by linear grading of the Al fraction x in AlxGa1-xAs structures. In the case of the doping-induced space-charge potential it is found that the effective barrier height for transport is much lower than expected from a simple model, in which uniform distribution of the doping charge within the doped layers is assumed. This reduction is quantitatively explained by taking into account the random distribution of the acceptor atoms within the δp-doped layers, which results in large spatial fluctuations of the barrier potential. The transport turns out to be dominated by small regions around the energetically lowest saddle points of the random space-charge potential. Additionally, independent on the dimensionality of the transport [three-dimensional (3D) to 3D in the single barrier, from 3D through 2D to 3D in the double barrier, and from 3D through 2D through 2D to 3D in the triple-barrier structure], fingerprints of 2D subband resonances are neither experimentally observed nor theoretically expected in the doping-induced structures. This is attributed to the disorder-induced random spatial fluctuations of the subband energies in the n layers which are uncorrelated for neighboring layers. Our interpretations of the temperature-dependent current-voltage characteristics are corroborated by comparison with the experimental and theoretical results obtained from the corresponding fluctuation-free AlxGa1-xAs structures. Quantitative agreement between theory and experiment is observed in both cases.

Resonant tunneling structures based on epitaxial graphene on SiC

NASA Astrophysics Data System (ADS)

Nguyen, V. Hung; Bournel, A.; Dollfus, P.

2011-12-01

Recently some experiments have suggested that graphene epitaxially grown on SiC can exhibit an energy bandgap of 260 meV, which enhances the potential of this material for electronic applications. On this basis, we propose to use spatial doping to generate graphene-on-SiC double-barrier structures. The non-equilibrium Green's function technique for solving the massive Dirac model is applied to highlight typical transport phenomena such as the electron confinement and the resonant tunneling effects. The I-V characteristics of graphene resonant tunneling diodes were then investigated and the effect of different device parameters was discussed. It is finally shown that this kind of double-barrier junction provides an efficient way to confine the charge carriers in graphene and to design graphene resonant tunneling structures.

Two Carrier Analysis of Persistent Photoconductivity in Modulation-Doped Structures

NASA Technical Reports Server (NTRS)

Schacham, S. E.; Mena, R. A.; Haugland, E. J.; Alterovitz, S. A.

1995-01-01

A simultaneous fit of Hall and conductivity data gives quantitative results on the carrier concentration and mobility in both the quantum well and the parallel conduction channel. In this study this method was applied to reveal several new findings on the effect of persistent photoconductivity (PPC) on free-carrier concentrations and mobilities. The increase in the two-dimensional electron-gas (2DEG) concentration is significantly smaller than the apparent one derived from single carrier analysis of the Hall coefficient. In the two types of structures investigated, delta doped and continuously doped barrier, the apparent concentration almost doubles following illumination, while analysis reveals an increase of about 20% in the 2DEG. The effect of PPC on mobility depends on the structure. For the sample with a continuously doped barrier the mobility in the quantum well more than doubles. This increase is attributed to the effective screening of the ionized donors by the large electron concentration in the barrier. In the delta doped barrier sample the mobility is reduced by almost a factor of 2. This decrease is probably caused by strong coupling between the two wells, as is demonstrated by self-consistent analysis.

Stability of excitons in double quantum well: Through electron and holes transmission probabilities

NASA Astrophysics Data System (ADS)

Vignesh, G.; Nithiananthi, P.

2017-05-01

Stability of excitons has been analyzed using the transmission probability of its constituent particles in GaAs/Al0.3Ga0.7As Double Quantum Well (DQW) structure by varying well and barrier layer thickness. The effective mass approximation is used and anisotropy in material properties are also considered to get realistic situations. It is observed that tuning barrier layer avails many resonance peaks for the transmission and tuning well width admits maximum transmission at narrow well widths. Every saddle point of the observed transmission coefficients decides the formation, strength and transportation of excitons in DQW.

A mobility based vibroacoustic energy transmission simulation into an enclosure through a double-wall panel.

PubMed

Sahu, Atanu; Bhattacharya, Partha; Niyogi, Arup Guha; Rose, Michael

2017-06-01

Double-wall panels are known for their superior sound insulation properties over single wall panels as a sound barrier. The sound transmission phenomenon through a double-wall structure is a complex process involving vibroacoustic interaction between structural panels, the air-cushion in between, and the secondary acoustic domain. It is in this context a versatile and a fully coupled technique based on the finite-element-boundary element model is developed that enables estimation of sound transfer through a double-wall panel into an adjacent enclosure while satisfying the displacement compatibility across the interface. The contribution of individual components in the transmitted energy is identified through numerical simulations.

Complementary Barrier Infrared Detector (CBIRD) with Double Tunnel Junction Contact and Quantum Dot Barrier Infrared Detector (QD-BIRD)

NASA Technical Reports Server (NTRS)

Ting, David Z.-Y; Soibel, Alexander; Khoshakhlagh, Arezou; Keo, Sam A.; Nguyen, Jean; Hoglund, Linda; Mumolo, Jason M.; Liu, John K.; Rafol, Sir B.; Hill, Cory J.;

Resonant tunneling of spin-wave packets via quantized states in potential wells.

PubMed

Hansen, Ulf-Hendrik; Gatzen, Marius; Demidov, Vladislav E; Demokritov, Sergej O

2007-09-21

We have studied the tunneling of spin-wave pulses through a system of two closely situated potential barriers. The barriers represent two areas of inhomogeneity of the static magnetic field, where the existence of spin waves is forbidden. We show that for certain values of the spin-wave frequency corresponding to the quantized spin-wave states existing in the well formed between the barriers, the tunneling has a resonant character. As a result, transmission of spin-wave packets through the double-barrier structure is much more efficient than the sequent tunneling through two single barriers.

Growth and characterization of high current density, high-speed InAs/AlSb resonant tunneling diodes

NASA Technical Reports Server (NTRS)

Soderstrom, J. R.; Brown, E. R.; Parker, C. D.; Mahoney, L. J.; Yao, J. Y.

1991-01-01

InAs/AlSb double-barrier resonant tunneling diodes with peak current densities up to 370,000 A/sq cm and high peak-to-valley current ratios of 3.2 at room temperature have been fabricated. The peak current density is well-explained by a stationary-state transport model with the two-band envelope function approximation. The valley current density predicted by this model is less than the experimental value by a factor that is typical of the discrepancy found in other double-barrier structures. It is concluded that threading dislocations are largely inactive in the resonant tunneling process.

Rectifying behavior in the GaN/graded-AlxGa1‑xN/GaN double heterojunction structure

NASA Astrophysics Data System (ADS)

Wang, Caiwei; Jiang, Yang; Ma, Ziguang; Zuo, Peng; Yan, Shen; Die, Junhui; Wang, Lu; Jia, Haiqiang; Wang, Wenxin; Chen, Hong

2018-05-01

Rectifying characteristics induced by the polarization fields are achieved in the GaN/graded-AlxGa1‑xN/GaN double heterojunction structure (DHS). By grading AlxGa1‑xN from x  =  0.4(0.3) to 0.1, the DHS displays a better conductivity for smaller reverse bias than for forward bias voltages (reverse rectifying behavior) which is opposite to p–n junction rectifying characteristics. The mechanism of reverse rectifying behavior is illustrated via calculating the energy band structures of the samples. The band gap narrowing caused by decreasing Al composition could compensate the for the band tilt due to the polarization effect in AlxGa1‑xN barriers, thus lowering the barrier height for electron transport from top to bottom. The reverse rectifying behavior could be enhanced by increasing the Al content and the thickness of the multi-layer graded AlxGa1‑xN barriers. This work gives a better understanding of the mechanism of carrier transport in a DHS and makes it possible to realize novel GaN-based heterojunction transistors.

Measurements and Simulations of Surface Dielectric Barrier Discharges Used as Plasma Actuators

NASA Technical Reports Server (NTRS)

Hoskinson, Alan R.

2012-01-01

This report is a Ph.D. dissertation performed under NRA cooperative agreement and submitted as part of the final report. Asymmetric surface dielectric barrier discharges (DBDs) have shown promise for use as aerodynamic actuators for active flow control. In this project we studied DBD actuators experimentally and numerically. Our DBDs used a symmetric triangular high voltage waveform to generate plasma in atmospheric pressure air. Time-averaged measurements indicated that the induced force of a single barrier actuator design (one electrode insulated from the plasma) can be increased exponentially above the results of previous studies by decreasing both the length and thickness of the electrode exposed to the plasma. This increased force may allow these devices to control flow separation in a wider range of flow environments. Experiments using an intensified digital camera to examine the plasma on time scales of a few nanoseconds showed that, in addition to the previously-observed filamentary and jet-like plasma structures, discharges with very thin exposed electrodes exhibited a weak but constant plasma immediately adjacent to those electrodes. In double-barrier actuators (both electrodes insulated), decreasing the diameter of the narrower electrode lead to increasing forces, and recorded images showed the simultaneous existence of both filamentary and jet-like plasma structures. The development and application of a time-dependent, two-dimensional computational fluid plasma model has aided in understanding the detailed physics of surface DBDs at all-time scales. For simulated single-barrier discharges, the model qualitatively reproduced the filamentary and jet-like micro-discharge structures. The model was somewhat successful in reproducing the observed characteristics of double-barrier actuators. For both actuator geometries, the model indicated that the majority of the forces induced on the neutral gas occur in between micro-discharges as the plasmas decay.

Dynamical ion transfer between coupled Coulomb crystals in a double-well potential.

PubMed

Klumpp, Andrea; Zampetaki, Alexandra; Schmelcher, Peter

2017-09-01

We investigate the nonequilibrium dynamics of coupled Coulomb crystals of different sizes trapped in a double well potential. The dynamics is induced by an instantaneous quench of the potential barrier separating the two crystals. Due to the intra- and intercrystal Coulomb interactions and the asymmetric population of the potential wells, we observe a complex reordering of ions within the two crystals as well as ion transfer processes from one well to the other. The study and analysis of the latter processes constitutes the main focus of this work. In particular, we examine the dependence of the observed ion transfers on the quench amplitude performing an analysis for different crystalline configurations ranging from one-dimensional ion chains via two-dimensional zigzag chains and ring structures to three-dimensional spherical structures. Such an analysis provides us with the means to extract the general principles governing the ion transfer dynamics and we gain some insight on the structural disorder caused by the quench of the barrier height.

Asymmetric quantum-well structures for AlGaN/GaN/AlGaN resonant tunneling diodes

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

Yang, Lin'an, E-mail: layang@xidian.edu.cn; Li, Yue; Wang, Ying

Asymmetric quantum-well (QW) structures including the asymmetric potential-barrier and the asymmetric potential-well are proposed for AlGaN/GaN/AlGaN resonant tunneling diodes (RTDs). Theoretical investigation gives that an appropriate decrease in Al composition and thickness for emitter barrier as well as an appropriate increase of both for collector barrier can evidently improve the negative-differential-resistance characteristic of RTD. Numerical simulation shows that RTD with a 1.5-nm-thick GaN well sandwiched by a 1.3-nm-thick Al{sub 0.15}Ga{sub 0.85}N emitter barrier and a 1.7-nm-thick Al{sub 0.25}Ga{sub 0.75}N collector barrier can yield the I-V characteristic having the peak current (Ip) and the peak-to-valley current ratio (PVCR) of 0.39 A andmore » 3.6, respectively, about double that of RTD with a 1.5-nm-thick Al{sub 0.2}Ga{sub 0.8}N for both barriers. It is also found that an introduction of InGaN sub-QW into the diode can change the tunneling mode and achieve higher transmission coefficient of electron. The simulation demonstrates that RTD with a 2.8-nm-thick In{sub 0.03}Ga{sub 0.97}N sub-well in front of a 2.0-nm-thick GaN main-well can exhibit the I-V characteristic having Ip and PVCR of 0.07 A and 11.6, about 7 times and double the value of RTD without sub-QW, respectively. The purpose of improving the structure of GaN-based QW is to solve apparent contradiction between the device structure and the device manufacturability of new generation RTDs for sub-millimeter and terahertz applications.« less

Double-inversion mechanisms of the X⁻ + CH₃Y [X,Y = F, Cl, Br, I] SN2 reactions.

PubMed

Szabó, István; Czakó, Gábor

2015-03-26

The double-inversion and front-side attack transition states as well as the proton-abstraction channels of the X(-) + CH3Y [X,Y = F, Cl, Br, I] reactions are characterized by the explicitly correlated CCSD(T)-F12b/aug-cc-pVTZ(-PP) level of theory using small-core relativistic effective core potentials and the corresponding aug-cc-pVTZ-PP bases for Br and I. In the X = F case the double-inversion classical(adiabatic) barrier heights are 28.7(25.6), 15.8(13.4), 13.2(11.0), and 8.6(6.6) kcal mol(-1) for Y = F, Cl, Br, and I, respectively, whereas the barrier heights are in the 40-90 kcal mol(-1) range for the other 12 reactions. The abstraction channels are always above the double-inversion saddle points. For X = F, the front-side attack classical(adiabatic) barrier heights, 45.8(44.8), 31.0(30.3), 24.7(24.2), and 19.5(19.3) kcal mol(-1) for Y = F, Cl, Br, and I, respectively, are higher than the corresponding double-inversion ones, whereas for the other systems the front-side attack saddle points are in the 35-70 kcal mol(-1) range. The double-inversion transition states have XH···CH2Y(-) structures with Cs point-group symmetry, and the front-side attack saddle points have either Cs (X = F or X = Y) or C1 symmetry with XCY angles in the 78-88° range. On the basis of the previous reaction dynamics simulations and the minimum energy path computations along the inversion coordinate of selected XH···CH2Y(-) systems, we suggest that the double inversion may be a general mechanism for SN2 reactions.

Transformation of Chlorinated Hydrocarbons on Synthetic Green Rusts

EPA Science Inventory

Green rusts (GRs) are layered double hydroxides that contain both ferrous and ferric ions in their structure. GRs can potentially serve as a chemical reductant for degradation of chlorinated hydrocarbons. GRs are found in zerovalent iron based permeable reactive barriers and in c...

Fabrication and characterization of tunnel barriers in a multi-walled carbon nanotube formed by argon atom beam irradiation

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

Tomizawa, H.; Department of Applied Physics, Tokyo University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo 125-8585; Yamaguchi, T., E-mail: tyamag@riken.jp

We have evaluated tunnel barriers formed in multi-walled carbon nanotubes (MWNTs) by an Ar atom beam irradiation method and applied the technique to fabricate coupled double quantum dots. The two-terminal resistance of the individual MWNTs was increased owing to local damage caused by the Ar beam irradiation. The temperature dependence of the current through a single barrier suggested two different contributions to its Arrhenius plot, i.e., formed by direct tunneling through the barrier and by thermal activation over the barrier. The height of the formed barriers was estimated. The fabrication technique was used to produce coupled double quantum dots withmore » serially formed triple barriers on a MWNT. The current measured at 1.5 K as a function of two side-gate voltages resulted in a honeycomb-like charge stability diagram, which confirmed the formation of the double dots. The characteristic parameters of the double quantum dots were calculated, and the feasibility of the technique is discussed.« less

Efficient single photon detection by quantum dot resonant tunneling diodes.

PubMed

Blakesley, J C; See, P; Shields, A J; Kardynał, B E; Atkinson, P; Farrer, I; Ritchie, D A

2005-02-18

We demonstrate that the resonant tunnel current through a double-barrier structure is sensitive to the capture of single photoexcited holes by an adjacent layer of quantum dots. This phenomenon could allow the detection of single photons with low dark count rates and high quantum efficiencies. The magnitude of the sensing current may be controlled via the thickness of the tunnel barriers. Larger currents give improved signal to noise and allow sub-mus photon time resolution.

Transparent, Ultrahigh-Gas-Barrier Films with a Brick-Mortar-Sand Structure.

PubMed

Dou, Yibo; Pan, Ting; Xu, Simin; Yan, Hong; Han, Jingbin; Wei, Min; Evans, David G; Duan, Xue

2015-08-10

Transparent and flexible gas-barrier materials have shown broad applications in electronics, food, and pharmaceutical preservation. Herein, we report ultrahigh-gas-barrier films with a brick-mortar-sand structure fabricated by layer-by-layer (LBL) assembly of XAl-layered double hydroxide (LDH, X=Mg, Ni, Zn, Co) nanoplatelets and polyacrylic acid (PAA) followed by CO2 infilling, denoted as (XAl-LDH/PAA)n-CO2. The near-perfectly parallel orientation of the LDH "brick" creates a long diffusion length to hinder the transmission of gas molecules in the PAA "mortar". Most significantly, both the experimental studies and theoretical simulations reveal that the chemically adsorbed CO2 acts like "sand" to fill the free volume at the organic-inorganic interface, which further depresses the diffusion of permeating gas. The strategy presented here provides a new insight into the perception of barrier mechanism, and the (XAl-LDH/PAA)n-CO2 film is among the best gas barrier films ever reported. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Revealing the Sub-Barrier Phase using a Spatiotemporal Interferometer with Orthogonal Two-Color Laser Fields of Comparable Intensity

NASA Astrophysics Data System (ADS)

Han, Meng; Ge, Peipei; Shao, Yun; Liu, Ming-Ming; Deng, Yongkai; Wu, Chengyin; Gong, Qihuang; Liu, Yunquan

2017-08-01

We measure photoelectron momentum distributions of Ar atoms in orthogonally polarized two-color laser fields with comparable intensities. The synthesized laser field is used to manipulate the oscillating tunneling barrier and the subsequent motion of electrons onto two spatial dimensions. The subcycle structures associated with the temporal double-slit interference are spatially separated and enhanced. We use such a spatiotemporal interferometer to reveal sub-barrier phase of strong-field tunneling ionization. This study shows that the tunneling process transfers the initial phase onto momentum distribution. Our work has the implication that the sub-barrier phase plays an indispensable role in photoelectron interference processes.

p -n Junction Rectifying Characteristics of Purely n -Type GaN-Based Structures

NASA Astrophysics Data System (ADS)

Zuo, P.; Jiang, Y.; Ma, Z. G.; Wang, L.; Zhao, B.; Li, Y. F.; Yue, G.; Wu, H. Y.; Yan, H. J.; Jia, H. Q.; Wang, W. X.; Zhou, J. M.; Sun, Q.; Liu, W. M.; Ji, An-Chun; Chen, H.

2017-08-01

The GaN-based p -n junction rectifications are important in the development of high-power electronics. Here, we demonstrate that p -n junction rectifying characteristics can be realized with pure n -type structures by inserting an (In,Ga)N quantum well into the GaN /(Al ,Ga )N /GaN double heterostructures. Unlike the usual barriers, the insertion of an (In,Ga)N quantum well, which has an opposite polarization field to that of the (Al,Ga)N barrier, tailors significantly the energy bands of the system. The lifted energy level of the GaN spacer and the formation of the (In ,Ga )N /GaN interface barrier can improve the reverse threshold voltage and reduce the forward threshold voltage simultaneously, forming the p -n junction rectifying characteristics.

Nonmonotonous electron mobility due to structurally induced resonant coupling of subband states in an asymmetric double quantum well

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

Nayak, R. K.; Das, S.; Panda, A. K.

We show that sharp nonmonotic variation of low temperature electron mobility μ can be achieved in GaAs/Al{sub x}Ga{sub 1-x}As barrier delta-doped double quantum well structure due to quantum mechanical transfer of subband electron wave functions within the wells. We vary the potential profile of the coupled structure as a function of the doping concentration in order to bring the subbands into resonance such that the subband energy levels anticross and the eigen states of the coupled structure equally share both the wells thereby giving rise to a dip in mobility. When the wells are of equal widths, the dip inmore » mobility occurs under symmetric doping of the side barriers. In case of unequal well widths, the resonance can be obtained by suitable asymmetric variation of the doping concentrations. The dip in mobility becomes sharp and also the wavy nature of mobility takes a rectangular shape by increasing the barrier width. We show that the dip in mobility at resonance is governed by the interface roughness scattering through step like changes in the subband mobilities. It is also gratifying to show that the drop in mobility at the onset of occupation of second subband is substantially supressed through the quantum mechanical transfer of subband wave functions between the wells. Our results can be utilized for performance enhancement of coupled quantum well devices.« less

Interface electronic structures of reversible double-docking self-assembled monolayers on an Au(111) surface

PubMed Central

Zhang, Tian; Ma, Zhongyun; Wang, Linjun; Xi, Jinyang; Shuai, Zhigang

2014-01-01

Double-docking self-assembled monolayers (DDSAMs), namely self-assembled monolayers (SAMs) formed by molecules possessing two docking groups, provide great flexibility to tune the work function of metal electrodes and the tunnelling barrier between metal electrodes and the SAMs, and thus offer promising applications in both organic and molecular electronics. Based on the dispersion-corrected density functional theory (DFT) in comparison with conventional DFT, we carry out a systematic investigation on the dual configurations of a series of DDSAMs on an Au(111) surface. Through analysing the interface electronic structures, we obtain the relationship between single molecular properties and the SAM-induced work-function modification as well as the level alignment between the metal Fermi level and molecular frontier states. The two possible conformations of one type of DDSAM on a metal surface reveal a strong difference in the work-function modification and the electron/hole tunnelling barriers. Fermi-level pinning is found to be a key factor to understand the interface electronic properties. PMID:24615153

Effect of subband mixing on the energy levels of a hydrogenic impurity in a GaAs/Ga1-xAlxAs double quantum well in a magnetic field

NASA Astrophysics Data System (ADS)

Nguyen, N.; Ranganathan, R.; McCombe, B. D.; Rustgi, M. L.

1992-05-01

In view of the recent evidence found in favor of subband mixing in coupling of confined impurity states in doped double-quantum-well structures, a variational approach employing Gaussian trial wave functions has been used to calculate the binding energies of the ground, (1s, m=0) and first excited, (2p-, m=-1) states of a hydrogenic donor associated with the mixture of subbands of a double-GaAs quantum well coupled by a layer of Ga1-xA1xAs in the presence of a magnetic field. Two different well sizes and three different locations of the impurity, (A) at the outer edge, (B) at the center, and (C) at the inner edge of the well, are considered, and the barrier width is allowed to vary. It is found that for the structures considered here the results from the calculations using the mixture of only first (symmetric) and second (asymmetric) subbands are significantly different from those using only the lowest (symmetric) subband, especially for the intermediate barrier widths, and depend strongly on the location of the impurity in the well. These results demonstrate that subband mixing should be included in double-quantum-well structure calculations. The effect of varying the magnetic field on the binding energies is also studied. A comparison with the measurements of Ranganathan et al. [Phys. Rev. B 44, 1423 (1991)] demonstrates that the agreement is not improved when mixing of subbands higher than the lowest two is included in the calculation.

Finite-time barriers to reaction front propagation

NASA Astrophysics Data System (ADS)

Locke, Rory; Mahoney, John; Mitchell, Kevin

2015-11-01

Front propagation in advection-reaction-diffusion systems gives rise to rich geometric patterns. It has been shown for time-independent and time-periodic fluid flows that invariant manifolds, termed burning invariant manifolds (BIMs), serve as one-sided dynamical barriers to the propagation of reaction front. More recently, theoretical work has suggested that one-sided barriers, termed burning Lagrangian Coherent structures (bLCSs), exist for fluid velocity data prescribed over a finite time interval, with no assumption on the time-dependence of the flow. In this presentation, we use a time-varying fluid ``wind'' in a double-vortex channel flow to demonstrate that bLCSs form the (locally) most attracting or repelling fronts.

Carbazole/triarylamine based polymers as a hole injection/transport layer in organic light emitting devices.

PubMed

Wang, Hui; Ryu, Jeong-Tak; Kwon, Younghwan

2012-05-01

This study examined the influence of the charge injection barriers on the performance of organic light emitting diodes (OLEDs) using polymers with a stepwise tuned ionization potential (I(p) approximately -5.01 - -5.29 eV) between the indium tin oxide (ITO) (phi approximately -4.8 eV) anode and tris(8-hydroxyquinolinato) aluminium (Alq3) (I(p) approximately -5.7 eV) layer. The energy levels of the polymers were tuned by structural modification. Double layer devices were fabricated with a configuration of ITO/polymer/Alq3/LiF/Al, where the polymers, Alq3, and LiF/Al were used as the hole injection/transport layer, emissive electron transport layer, and electron injection/cathode, respectively. Using the current density-voltage (J-V), luminescence-voltage (L-V) and efficiencies in these double layer devices, the device performance was evaluated in terms of the energy level alignments at the interfaces, such as the hole injection barriers (phi(h)(iTO/polymer) and phi(h)(polymer/Alq3)) from ITO through the polymers into the Alq3 layer, and the electron injection barrier (phi(e)(polymer/Alq3) or electron/exciton blocking barrier) at the polymer/Alq3 interface.

Bifurcation of potential vorticity gradients across the Southern Hemisphere stratospheric polar vortex

NASA Astrophysics Data System (ADS)

Conway, Jonathan; Bodeker, Greg; Cameron, Chris

2018-06-01

The wintertime stratospheric westerly winds circling the Antarctic continent, also known as the Southern Hemisphere polar vortex, create a barrier to mixing of air between middle and high latitudes. This dynamical isolation has important consequences for export of ozone-depleted air from the Antarctic stratosphere to lower latitudes. The prevailing view of this dynamical barrier has been an annulus compromising steep gradients of potential vorticity (PV) that create a single semi-permeable barrier to mixing. Analyses presented here show that this barrier often displays a bifurcated structure where a double-walled barrier exists. The bifurcated structure manifests as enhanced gradients of PV at two distinct latitudes - usually on the inside and outside flanks of the region of highest wind speed. Metrics that quantify the bifurcated nature of the vortex have been developed and their variation in space and time has been analysed. At most isentropic levels between 395 and 850 K, bifurcation is strongest in mid-winter and decreases dramatically during spring. From August onwards a distinct structure emerges, where elevated bifurcation remains between 475 and 600 K, and a mostly single-walled barrier occurs at other levels. While bifurcation at a given level evolves from month to month, and does not always persist through a season, interannual variations in the strength of bifurcation display coherence across multiple levels in any given month. Accounting for bifurcation allows the region of reduced mixing to be better characterised. These results suggest that improved understanding of cross-vortex mixing requires consideration of the polar vortex not as a single mixing barrier but as a barrier with internal structure that is likely to manifest as more complex gradients in trace gas concentrations across the vortex barrier region.

Finite-time barriers to front propagation in two-dimensional fluid flows

NASA Astrophysics Data System (ADS)

Mahoney, John R.; Mitchell, Kevin A.

2015-08-01

Recent theoretical and experimental investigations have demonstrated the role of certain invariant manifolds, termed burning invariant manifolds (BIMs), as one-way dynamical barriers to reaction fronts propagating within a flowing fluid. These barriers form one-dimensional curves in a two-dimensional fluid flow. In prior studies, the fluid velocity field was required to be either time-independent or time-periodic. In the present study, we develop an approach to identify prominent one-way barriers based only on fluid velocity data over a finite time interval, which may have arbitrary time-dependence. We call such a barrier a burning Lagrangian coherent structure (bLCS) in analogy to Lagrangian coherent structures (LCSs) commonly used in passive advection. Our approach is based on the variational formulation of LCSs using curves of stationary "Lagrangian shear," introduced by Farazmand et al. [Physica D 278-279, 44 (2014)] in the context of passive advection. We numerically validate our technique by demonstrating that the bLCS closely tracks the BIM for a time-independent, double-vortex channel flow with an opposing "wind."

Charging in the ac Conductance of a Double Barrier Resonant Tunneling Structure

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Saini, Subhash (Technical Monitor)

1998-01-01

There have been many studies of the linear response ac conductance of a double barrier resonant tunneling structure (DBRTS), both at zero and finite dc biases. While these studies are important, they fail to self consistently include the effect of the time dependent charge density in the well. In this paper, we calculate the ac conductance at both zero and finite do biases by including the effect of the time dependent charge density in the well in a self consistent manner. The charge density in the well contributes to both the flow of displacement currents in the contacts and the time dependent potential in the well. We find that including these effects can make a significant difference to the ac conductance and the total ac current is not equal to the simple average of the non-selfconsistently calculated conduction currents in the two contacts. This is illustrated by comparing the results obtained with and without the effect of the time dependent charge density included correctly. Some possible experimental scenarios to observe these effects are suggested.

Quantum scattering in one-dimensional systems satisfying the minimal length uncertainty relation

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

Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph

In quantum gravity theories, when the scattering energy is comparable to the Planck energy the Heisenberg uncertainty principle breaks down and is replaced by the minimal length uncertainty relation. In this paper, the consequences of the minimal length uncertainty relation on one-dimensional quantum scattering are studied using an approach involving a recently proposed second-order differential equation. An exact analytical expression for the tunneling probability through a locally-periodic rectangular potential barrier system is obtained. Results show that the existence of a non-zero minimal length uncertainty tends to shift the resonant tunneling energies to the positive direction. Scattering through a locally-periodic potentialmore » composed of double-rectangular potential barriers shows that the first band of resonant tunneling energies widens for minimal length cases when the double-rectangular potential barrier is symmetric but narrows down when the double-rectangular potential barrier is asymmetric. A numerical solution which exploits the use of Wronskians is used to calculate the transmission probabilities through the Pöschl–Teller well, Gaussian barrier, and double-Gaussian barrier. Results show that the probability of passage through the Pöschl–Teller well and Gaussian barrier is smaller in the minimal length cases compared to the non-minimal length case. For the double-Gaussian barrier, the probability of passage for energies that are more positive than the resonant tunneling energy is larger in the minimal length cases compared to the non-minimal length case. The approach is exact and applicable to many types of scattering potential.« less

Spin Transport in Electric-Barrier-Modulated Ferromagnetic/Normal/Ferromagnetic Monolayer Zigzag MoS2 Nanoribbon Junction

NASA Astrophysics Data System (ADS)

Xia, Y.-Y.; Yuan, R.-Y.; Yang, Q.-J.; Sun, Q.; Zheng, J.; Guo, Y.

In this paper, with the three-band tight-binding model and non-equilibrium Green’s function technique, we investigate spin transport in electric-barrier-modulated Ferromagnetic/Normal/Ferromagnetic (F/N/F) monolayer (ML) zigzag MoS2 nanoribbon junction. The results demonstrate that once the double electric barriers structure emerges, the oscillations of spin conductances become violent, especially for spin-down conductance, the numbers of resonant peaks increase obviously, thus we can obtain 100% spin polarization in the low energy region. It is also found that with the intensity of the exchange field enhancement, the resonant peaks of spin-up and spin-down conductances move in the opposite direction in a certain energy region. As a consequence, the spin-down conductance can be filtered out completely. The findings here indicate that the present structure may be considered as a good candidate for spin filter.

Access to the US Department of Veterans Affairs health system: self-reported barriers to care among returnees of Operations Enduring Freedom and Iraqi Freedom

PubMed Central

2013-01-01

Background The U.S. Department of Veterans Affairs (VA) implemented the Polytrauma System of Care to meet the health care needs of military and veterans with multiple injuries returning from combat operations in Afghanistan and Iraq. Studies are needed to systematically assess barriers to use of comprehensive and exclusive VA healthcare services from the perspective of veterans with polytrauma and with other complex health outcomes following their service in Afghanistan and Iraq. These perspectives can inform policy with regard to the optimal delivery of care to returning veterans. Methods We studied combat veterans (n = 359) from two polytrauma rehabilitation centers using structured clinical interviews and qualitative open-ended questions, augmented with data collected from electronic health records. Our outcomes included several measures of exclusive utilization of VA care with our primary exposure as reported access barriers to care. Results Nearly two thirds of the veterans reported one or more barriers to their exclusive use of VA healthcare services. These barriers predicted differences in exclusive use of VA healthcare services. Experiencing any barriers doubled the returnees’ odds of not using VA exclusively, the geographic distance to VA barrier resulted in a 7 fold increase in the returnees odds of not using VA, and reporting a wait time barrier doubled the returnee’s odds of not using VA. There were no striking differences in access barriers for veterans with polytrauma compared to other returning veterans, suggesting the barriers may be uniform barriers that predict differences in using the VA exclusively for health care. Conclusions This study provides an initial description of utilization of VA polytrauma rehabilitation and other medical care for veteran returnees from all military services who were involved in combat operations in Afghanistan or Iraq. Our findings indicate that these veterans reported important stigmatization and barriers to receiving services exclusively from the VA, including mutable health delivery system factors. PMID:24289747

Simulation of InGaAs subchannel DG-HEMTs for analogue/RF applications

NASA Astrophysics Data System (ADS)

Saravana Kumar, R.; Mohanbabu, A.; Mohankumar, N.; Godwin Raj, D.

2018-03-01

The paper reports on the influence of a barrier thickness and gate length on the various device parameters of double gate high electron mobility transistors (DG-HEMTs). The DC and RF performance of the device have been studied by varying the barrier thickness from 1 to 5 nm and gate length from 10 to 150 nm, respectively. As the gate length is reduced below 50 nm regime, the barrier thickness plays an important role in device performance. Scaling the gate length leads to higher transconductance and high frequency operations with the expense of poor short channel effects. The authors claim that the 30-nm gate length, mole fractions tuned In0.53Ga0.47As/In0.7Ga0.3As/In0.53Ga0.47As subchannel DG-HEMT with optimised device structure of 2 nm In0.48Al0.52As barrier layer show a peak gm of 3.09 mS/µm, VT of 0.29 V, ION/IOFF ratio of 2.24 × 105, subthreshold slope 73 mV/decade and drain induced barrier lowering 68 mV/V with fT and fmax of 776 and 905 GHz at Vds = 0.5 V is achieved. These superior performances are achieved by using double-gate architecture with reduced gate to channel distance.

Resonant tunneling diode based on band gap engineered graphene antidot structures

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

Palla, Penchalaiah, E-mail: penchalaiah.palla@vit.ac.in; Ethiraj, Anita S.; Raina, J. P.

The present work demonstrates the operation and performance of double barrier Graphene Antidot Resonant Tunnel Diode (DBGA-RTD). Non-Equilibrium Green’s Function (NEGF) frame work with tight-binding Hamiltonian and 2-D Poisson equations were solved self-consistently for device study. The interesting feature in this device is that it is an all graphene RTD with band gap engineered graphene antidot tunnel barriers. Another interesting new finding is that it shows negative differential resistance (NDR), which involves the resonant tunneling in the graphene quantum well through both the electron and hole bound states. The Graphene Antidot Lattice (GAL) barriers in this device efficiently improved themore » Peak to Valley Ratio to approximately 20 even at room temperature. A new fitting model is developed for the number of antidots and their corresponding effective barrier width, which will help in determining effective barrier width of any size of actual antidot geometry.« less

A double-layer based model of ion confinement in electron cyclotron resonance ion source.

PubMed

Mascali, D; Neri, L; Celona, L; Castro, G; Torrisi, G; Gammino, S; Sorbello, G; Ciavola, G

2014-02-01

The paper proposes a new model of ion confinement in ECRIS, which can be easily generalized to any magnetic configuration characterized by closed magnetic surfaces. Traditionally, ion confinement in B-min configurations is ascribed to a negative potential dip due to superhot electrons, adiabatically confined by the magneto-static field. However, kinetic simulations including RF heating affected by cavity modes structures indicate that high energy electrons populate just a thin slab overlapping the ECR layer, while their density drops down of more than one order of magnitude outside. Ions, instead, diffuse across the electron layer due to their high collisionality. This is the proper physical condition to establish a double-layer (DL) configuration which self-consistently originates a potential barrier; this "barrier" confines the ions inside the plasma core surrounded by the ECR surface. The paper will describe a simplified ion confinement model based on plasma density non-homogeneity and DL formation.

Modulation of spin transfer torque amplitude in double barrier magnetic tunnel junctions

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

Clément, P.-Y.; Baraduc, C., E-mail: claire.baraduc@cea.fr; Chshiev, M.

2015-09-07

Magnetization switching induced by spin transfer torque is used to write magnetic memories (Magnetic Random Access Memory, MRAM) but can be detrimental to the reading process. It would be quite convenient therefore to modulate the efficiency of spin transfer torque. A solution is adding an extra degree of freedom by using double barrier magnetic tunnel junctions with two spin-polarizers, with controllable relative magnetic alignment. We demonstrate, for these structures, that the amplitude of in-plane spin transfer torque on the middle free layer can be efficiently tuned via the magnetic configuration of the electrodes. Using the proposed design could thus pavemore » the way towards more reliable read/write schemes for MRAM. Moreover, our results suggest an intriguing effect associated with the out-of-plane (field-like) spin transfer torque, which has to be further investigated.« less

Modeling and optimization of a double-well double-barrier GaN/AlGaN/GaN/AlGaN resonant tunneling diode

NASA Astrophysics Data System (ADS)

Liu, Yang; Gao, Bo; Gong, Min; Shi, Ruiying

2017-06-01

The influence of a GaN layer as a sub-quantum well for an AlGaN/GaN/AlGaN double barrier resonant tunneling diode (RTD) on device performance has been investigated by means of numerical simulation. The introduction of the GaN layer as the sub-quantum well turns the dominant transport mechanism of RTD from the 3D-2D model to the 2D-2D model and increases the energy difference between tunneling energy levels. It can also lower the effective height of the emitter barrier. Consequently, the peak current and peak-to-valley current difference of RTD have been increased. The optimal GaN sub-quantum well parameters are found through analyzing the electrical performance, energy band, and transmission coefficient of RTD with different widths and depths of the GaN sub-quantum well. The most pronounced electrical parameters, a peak current density of 5800 KA/cm2, a peak-to-valley current difference of 1.466 A, and a peak-to-valley current ratio of 6.35, could be achieved by designing RTD with the active region structure of GaN/Al0.2Ga0.8 N/GaN/Al0.2Ga0.8 N (3 nm/1.5 nm/1.5 nm/1.5 nm).

Insights on energy selective contacts for thermal energy harvesting using double resonant tunneling contacts and numerical modeling

NASA Astrophysics Data System (ADS)

Julian, A.; Jehl, Z.; Miyashita, N.; Okada, Y.; Guillemoles, J.-F.

2016-12-01

Energy selective electrical contacts have been proposed as a way to approach ultimate efficiencies both for thermoelectric and photovoltaic devices as they allow a reduction of the entropy production during the energy conversion process. A self-consistent numerical model based on the transfer matrix approach in the effective mass and envelope function approximation has been developed to calculate the electronic properties of double resonant tunneling barriers used as energy selective contacts in hot carrier solar cells. It is found that the application of an external electric bias significantly degrades the electronic transmission of the structure, and thus the tunneling current in the current-voltage characteristic. This is due to a symmetry breaking which can be offset using finely tuned asymmetric double resonant tunneling barriers, leading to a full recovery of the tunneling current in our model. Moreover, we model the heterostructure using electrons temperature in the emitter higher than that of the lattice, providing insights on the interpretation of experimental devices functioning in hot carrier conditions, especially regarding the previously reported shift of the resonance peak (negative differential resistance), which we interpret as related to a shift in the hot electron distribution while the maximum remains at the conduction band edge of the emitter. Finally, experimental results are presented using asymmetric structure showing significantly improved resonant properties at room temperature with very sharp negative differential resistance.

Magnetospectroscopy of double HgTe/CdHgTe quantum wells

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

Bovkun, L. S.; Krishtopenko, S. S.; Ikonnikov, A. V., E-mail: antikon@ipmras.ru

2016-11-15

The magnetoabsorption spectra in double HgTe/CdHgTe quantum wells (QWs) with normal and inverted band structures are investigated. The Landau levels in symmetric QWs with a rectangular potential profile are calculated based on the Kane 8 × 8 model. The presence of a tunnel-transparent barrier is shown to lead to the splitting of states and “doubling” of the main magnetoabsorption lines. At a QW width close to the critical one the presence of band inversion and the emergence of a gapless band structure, similar to bilayer graphene, are shown for a structure with a single QW. The shift of magnetoabsorption linesmore » as the carrier concentration changes due to the persistent photoconductivity effect associated with a change in the potential profile because of trap charge exchange is detected. This opens up the possibility for controlling topological phase transitions in such structures.« less

Force Measurements of Single and Double Barrier DBD Plasma Actuators in Quiescent Air

NASA Technical Reports Server (NTRS)

Hoskinson, Alan R.; Hershkowitz, Noah; Ashpis, David E.

2008-01-01

We have performed measurements of the force induced by both single (one electrode insulated) and double (both electrodes insulated) dielectric barrier discharge plasma actuators in quiescent air. We have shown that, for single barrier actuators, as the electrode diameter decreased below those values previously studied the induced Force increases exponentially rather than linearly. This behavior has been experimentally verified using two different measurement techniques: stagnation probe measurements of the induced flow velocity and direct measurement of the force using an electronic balance. In addition, we have shown the the induced force is independent of the material used for the exposed electrode. The same techniques have shown that the induced force of a double barrier actuator increases with decreasing narrow electrode diameter.

The Asymmetric Continental Shelf Wave in Response to the Synoptic Wind Burst in a Semienclosed Double-Shelf Basin

NASA Astrophysics Data System (ADS)

Qu, Lixin; Lin, Xiaopei; Hetland, Robert D.; Guo, Jingsong

2018-01-01

The primary goal of this study is to investigate the asymmetric structure of continental shelf wave in a semienclosed double-shelf basin, such as the Yellow Sea. Supported by in situ observations and realistic numerical simulations, it is found that in the Yellow Sea, the shelf wave response to the synoptic wind forcing does not match the mathematically symmetric solution of classic double-shelf wave theory, but rather exhibits a westward shift. To study the formation mechanism of this asymmetric structure, an idealized model was used and two sets of experiments were conducted. The results confirm that the asymmetric structure is due to the existence of a topographic waveguide connecting both shelves. For a semienclosed basin, such as the Yellow Sea, a connection at the end of the basin eliminates the potential vorticity barrier between the two shelves and hence plays a role as a connecting waveguide for shelf waves. This waveguide enables the shelf wave to propagate from one shelf to the other shelf and produces the asymmetric response in sea level and upwind flow evolutions.

Absorption coefficient and relative refractive index change for a double δ-doped GaAs MIGFET-like structure: Electric and magnetic field effects

NASA Astrophysics Data System (ADS)

Martínez-Orozco, J. C.; Rodríguez-Magdaleno, K. A.; Suárez-López, J. R.; Duque, C. A.; Restrepo, R. L.

2016-04-01

In this work we present theoretical results for the electronic structure as well as for the absorption coefficient and relative refractive index change for an asymmetric double δ-doped like confining potential in the active region of a Multiple Independent Gate Field Effect Transistor (MIGFET) system. We model the potential profile as a double δ-doped like potential profile between two Schottky (parabolic) potential barriers that are just the main characteristics of the MIGFET configuration. We investigate the effect of external electromagnetic fields in this kind of quantum structures, in particular we applied a homogeneous constant electric field in the growth direction z as well as a homogeneous constant magnetic field in the x-direction. In general we conclude that by applying electromagnetic fields we can modulate the resonant peaks of the absorption coefficient as well as their energy position. Also with such probes it is possible to control the nodes and amplitude of the relative refractive index changes related to resonant intersubband optical transitions.

Quasi-stationary states of an electron with linearly dependent effective mass in an open nanostructure within transmission coefficient and S-matrix methods

NASA Astrophysics Data System (ADS)

Seti, Julia; Tkach, Mykola; Voitsekhivska, Oxana

2018-03-01

The exact solutions of the Schrödinger equation for a double-barrier open semiconductor plane nanostructure are obtained by using two different approaches, within the model of the rectangular potential profile and the continuous position-dependent effective mass of the electron. The transmission coefficient and scattering matrix are calculated for the double-barrier nanostructure. The resonance energies and resonance widths of the electron quasi-stationary states are analyzed as a function of the size of the near-interface region between wells and barriers, where the effective mass linearly depends on the coordinate. It is established that, in both methods, the increasing size affects in a qualitatively similar way the spectral characteristics of the states, shifting the resonance energies into the low- or high-energy region and increasing the resonance widths. It is shown that the relative difference of resonance energies and widths of a certain state, obtained in the model of position-dependent effective mass and in the widespread abrupt model in physically correct range of near-interface sizes, does not exceed 0.5% and 5%, respectively, independently of the other geometrical characteristics of the structure.

Reaction front barriers in time aperiodic fluid flows

NASA Astrophysics Data System (ADS)

Locke, Rory; Mitchell, Kevin

2016-11-01

Many chemical and biological systems can be characterized by the propagation of a front that separates different phases or species. One approach to formalizing a general theory is to apply frameworks developed in nonlinear dynamics. It has been shown that invariant manifolds form barriers to passive transport in time-dependent or time-periodic fluid flows. More recently, analogous manifolds termed burning- invariant-manifolds (BIMs), have been shown to form one-sided barriers to reaction fronts in advection-reaction-diffusion (ARD) systems. To model more realistic time-aperiodic systems, recent theoretical work has suggested that similar one-sided barriers, termed burning Lagrangian coherent structures (bLCSs), exist for fluid velocity data prescribed over a finite time interval. In this presentation, we use a stochastic "wind" to generate time dependence in a double-vortex channel flow and demonstrate the (locally) most attracting or repelling curves are the bLCSs.

Highly strained InAlP/InGaAs-based coupled double quantum wells on InP substrates

NASA Astrophysics Data System (ADS)

Gozu, Shin-ichiro; Mozume, Teruo

2018-05-01

InAlP/InGaAs based coupled double quantum wells (CDQWs) are proposed for optelectronic devices utilizing intersubband transitions. The aim of the proposed CDQW structure was to reduce the Al volume as compared with that in InGaAs/AlAsSb(AlAs/InAlAs) based CDQWs. By careful consideration of the band gap energy as well as conduction band offset and lattice constants for III–V materials, highly strained InAlP was chosen as the barrier material. With the appropriate CDQW structure and under the optimized growth conditions, proposed CDQWs exhibited clear X-ray diffraction satellite peaks, and almost identical optical absorption spectrum as compared with the InGaAs/AlAs/InAlAs CDQWs.

Degradation of organic pollutants and microorganisms from wastewater using different dielectric barrier discharge configurations--a critical review.

PubMed

Mouele, Emile S Massima; Tijani, Jimoh O; Fatoba, Ojo O; Petrik, Leslie F

2015-12-01

The growing global drinking water crisis requires the development of novel advanced, sustainable, and cost-effective water treatment technologies to supplement the existing conventional methods. One such technology is advanced oxidation based on dielectric barrier discharge (DBD). DBD such as single and double planar and single and double cylindrical dielectric barrier configurations have been utilized for efficient degradation of recalcitrant organic pollutants. The overall performance of the different DBD system varies and depends on several factors. Therefore, this review was compiled to give an overview of different DBD configurations vis-a-viz their applications and the in situ mechanism of generation of free reactive species for water and wastewater treatment. Our survey of the literature indicated that application of double cylindrical dielectric barrier configuration represents an ideal and viable route for achieving greater water and wastewater purification efficiency.

Efficient option valuation of single and double barrier options

NASA Astrophysics Data System (ADS)

Kabaivanov, Stanimir; Milev, Mariyan; Koleva-Petkova, Dessislava; Vladev, Veselin

2017-12-01

In this paper we present an implementation of pricing algorithm for single and double barrier options using Mellin transformation with Maximum Entropy Inversion and its suitability for real-world applications. A detailed analysis of the applied algorithm is accompanied by implementation in C++ that is then compared to existing solutions in terms of efficiency and computational power. We then compare the applied method with existing closed-form solutions and well known methods of pricing barrier options that are based on finite differences.

Double barrier system for an in situ conversion process

DOEpatents

McKinzie, Billy John [Houston, TX; Vinegar, Harold J [Bellaire, TX; Cowan, Kenneth Michael [Sugar land, TX; Deeg, Wolfgang Friedrich Johann [Houston, TX; Wong, Sau-Wai [Rijswijk, NL

2009-05-05

A barrier system for a subsurface treatment area is described. The barrier system includes a first barrier formed around at least a portion of the subsurface treatment area. The first barrier is configured to inhibit fluid from exiting or entering the subsurface treatment area. A second barrier is formed around at least a portion of the first barrier. A separation space exists between the first barrier and the second barrier.

Simulation of electron transport in quantum well devices

NASA Technical Reports Server (NTRS)

Miller, D. R.; Gullapalli, K. K.; Reddy, V. R.; Neikirk, D. P.

1992-01-01

Double barrier resonant tunneling diodes (DBRTD) have received much attention as possible terahertz devices. Despite impressive experimental results, the specifics of the device physics (i.e., how the electrons propagate through the structure) are only qualitatively understood. Therefore, better transport models are warranted if this technology is to mature. In this paper, the Lattice Wigner function is used to explain the important transport issues associated with DBRTD device behavior.

Magic angle for barrier-controlled double quantum dots

NASA Astrophysics Data System (ADS)

Yang, Xu-Chen; Wang, Xin

2018-01-01

We show that the exchange interaction of a singlet-triplet spin qubit confined in double quantum dots, when being controlled by the barrier method, is insensitive to a charged impurity lying along certain directions away from the center of the double-dot system. These directions differ from the polar axis of the double dots by the magic angle, equaling arccos(1 /√{3 })≈54 .7∘ , a value previously found in atomic physics and nuclear magnetic resonance. This phenomenon can be understood from an expansion of the additional Coulomb interaction created by the impurity, but also relies on the fact that the exchange interaction solely depends on the tunnel coupling in the barrier-control scheme. Our results suggest that for a scaled-up qubit array, when all pairs of double dots rotate their respective polar axes from the same reference line by the magic angle, crosstalk between qubits can be eliminated, allowing clean single-qubit operations. While our model is a rather simplified version of actual experiments, our results suggest that it is possible to minimize unwanted couplings by judiciously designing the layout of the qubits.

A novel double gate MOSFET by symmetrical insulator packets with improved short channel effects

NASA Astrophysics Data System (ADS)

Ramezani, Zeinab; Orouji, Ali A.

2018-03-01

In this article, we study a novel double-gate SOI MOSFET structure incorporating insulator packets (IPs) at the junction between channel and source/drain (S/D) ends. The proposed MOSFET has great strength in inhibiting short channel effects and OFF-state current that are the main problems compared with conventional one due to the significant suppressed penetrations of both the lateral electric field and the carrier diffusion from the S/D into the channel. Improvement of the hot electron reliability, the ON to OFF drain current ratio, drain-induced barrier lowering, gate-induced drain leakage and threshold voltage over conventional double-gate SOI MOSFETs, i.e. without IPs, is displayed with the simulation results. This study is believed to improve the CMOS device reliability and is suitable for the low-power very-large-scale integration circuits.

I-V characteristics of graphene nanoribbon/h-BN heterojunctions and resonant tunneling.

PubMed

Wakai, Taiga; Sakamoto, Shoichi; Tomiya, Mitsuyoshi

2018-07-04

We present the first principle calculations of the electrical properties of graphene sheet/h-BN heterojunction (GS/h-BN) and 11-armchair graphene nanoribbon/h-BN heterojunction (11-AGNR/h-BN), which are carried out using the density functional theory (DFT) method and the non-equilibrium Green's function (NEGF) technique. Since 11-AGNR belongs to the conductive (3n-1)-family of AGNR, both are metallic nanomaterials with two transverse arrays of h-BN, which is a wide-gap semi-conductor. The two h-BN arrays act as double barriers. The transmission functions (TF) and I-[Formula: see text] characteristics of GS/h-BN and 11-AGNR/h-BN are calculated by DFT and NEGF, and they show that quantum double barrier tunneling occurs. The TF becomes very spiky in both materials, and it leads to step-wise I-[Formula: see text] characteristics rather than negative resistance, which is the typical behavior of double barriers in semiconductors. The results of our first principle calculations are also compared with 1D Dirac equation model for the double barrier system. The model explains most of the peaks of the transmission functions nearby the Fermi energy quite well. They are due to quantum tunneling.

Electronic transport in armchair graphene nanoribbon under double magnetic barrier modulation

NASA Astrophysics Data System (ADS)

Wang, Haiyan; Wu, Chao; Xie, Fang; Zhang, Xiaojiao; Zhou, Guanghui

2018-03-01

We present a theoretical investigation of the transport properties and the magnetoresistance effect in armchair graphene nanoribbons (AGNRs) under modulation by two magnetic barriers. The energy levels are found to be degenerate for a metallic AGNR but are not degenerate for a semiconducting AGNR. However, the conductance characteristics show quantized plateaus in both the metallic and semiconducting cases. When the magnetization directions of the barriers change from parallel to antiparallel, the conductance plateau in the metallic AGNR shows a degenerate feature due to matching between the transport modes in different regions. As the barrier height increases, the conductance shows more oscillatory behavior with sharp peaks and troughs. Specifically, the initial position of nonzero conductance for the metallic AGNR system moves towards a higher energy regime, which indicates that an energy gap has been opened. In addition, the magnetoresistance ratio also shows plateau structures in certain specific energy regions. These results may be useful in the design of electron devices based on AGNR nanostructures.

On the radiative recombination and tunneling of charge carriers in SiGe/Si heterostructures with double quantum wells

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

Yablonsky, A. N., E-mail: yablonsk@ipmras.ru; Zhukavin, R. Kh.; Bekin, N. A.

For SiGe/Si(001) epitaxial structures with two nonequivalent SiGe quantum wells separated by a thin Si barrier, the spectral and time characteristics of interband photoluminescence corresponding to the radiative recombination of excitons in quantum wells are studied. For a series of structures with two SiGe quantum wells different in width, the characteristic time of tunneling of charge carriers (holes) from the narrow quantum well, distinguished by a higher exciton recombination energy, to the wide quantum well is determined as a function of the Si barrier thickness. It is shown that the time of tunneling of holes between the Si{sub 0.8}5Ge{sub 0.15}more » layers with thicknesses of 3 and 9 nm steadily decreases from ~500 to <5 ns, as the Si barrier thickness is reduced from 16 to 8 nm. At intermediate Si barrier thicknesses, an increase in the photoluminescence signal from the wide quantum well is observed, with a characteristic time of the same order of magnitude as the luminescence decay time of the narrow quantum well. This supports the observation of the effect of the tunneling of holes from the narrow to the wide quantum well. A strong dependence of the tunneling time of holes on the Ge content in the SiGe layers at the same thickness of the Si barrier between quantum wells is observed, which is attributed to an increase in the effective Si barrier height.« less

A refined model of claudin-15 tight junction paracellular architecture by molecular dynamics simulations

PubMed Central

Alberini, Giulio; Benfenati, Fabio

2017-01-01

Tight-junctions between epithelial cells of biological barriers are specialized molecular structures that regulate the flux of solutes across the barrier, parallel to cell walls. The tight-junction backbone is made of strands of transmembrane proteins from the claudin family, but the molecular mechanism of its function is still not completely understood. Recently, the crystal structure of a mammalian claudin-15 was reported, displaying for the first time the detailed features of transmembrane and extracellular domains. Successively, a structural model of claudin-15-based paracellular channels has been proposed, suggesting a putative assembly that illustrates how claudins associate in the same cell (via cis interactions) and across adjacent cells (via trans interactions). Although very promising, the model offers only a static conformation, with residues missing in the most important extracellular regions and potential steric clashes. Here we present detailed atomic models of paracellular single and double pore architectures, obtained from the putative assembly and refined via structural modeling and all-atom molecular dynamics simulations in double membrane bilayer and water environment. Our results show an overall stable configuration of the complex with a fluctuating pore size. Extracellular residue loops in trans interaction are able to form stable contacts and regulate the size of the pore, which displays a stationary radius of 2.5–3.0 Å at the narrowest region. The side-by-side interactions of the cis configuration are preserved via stable hydrogen bonds, already predicted by cysteine crosslinking experiments. Overall, this work introduces an improved version of the claudin-15-based paracellular channel model that strengthens its validity and that can be used in further computational studies to understand the structural features of tight-junctions regulation. PMID:28863193

Chaotic motion of a harmonically bound charged particle in a magnetic field, in the presence of a half-plane barrier

NASA Astrophysics Data System (ADS)

Geurts, Bernard J.; Wiegel, Frederik W.; Creswick, Richard J.

1990-05-01

The motion in the plane of an harmonically bound charged particle interacting with a magnetic field and a half-plane barrier along the positive x-axis is studied. The magnetic field is perpendicular to the plane in which the particle moves. This motion is integrable in between collisions of the particle with the barrier. However, the overall motion of the particle is very complicated. Chaotic regions in phase space exist next to island structures associated with linearly stable periodic orbits. We study in detail periodic orbits of low period and in particular their bifurcation behavior. Independent sequences of period doubling bifurcations and resonant bifurcations are observed associated with independent fixed points in the Poincaré section. Due to the perpendicular magnetic field an orientation is induced on the plane and time-reversal symmetry is broken.

Electron Raman scattering in a strained ZnO/MgZnO double quantum well

NASA Astrophysics Data System (ADS)

Mojab-abpardeh, M.; Karimi, M. J.

2018-02-01

In this work, the electron Raman scattering in a strained ZnO / MgZnO double quantum wells is studied. The energy eigenvalues and the wave functions are obtained using the transfer matrix method. The effects of Mg composition, well width and barrier width on the internal electric field in well and barrier layers are investigated. Then, the influences of these parameters on the differential cross-section of electron Raman scattering are studied. Results indicate that the position, magnitude and the number of the peaks depend on the Mg composition, well width and barrier width.

On the inversion of the 1 Bu and 2 Ag electronic states in α,ω-diphenylpolyenes

NASA Astrophysics Data System (ADS)

Catalán, J.

2003-07-01

An alternative model to that of the inversion of the states 1Bu and 2Ag is proposed for interpreting the photophysics of the α,ω-diphenylpolyenes. This model is based upon the existence of two chemical structures with Bu symmetry, which may be ascribed to the same excited electronic state 1Bu. One of the two chemical structures corresponds to the Franck-Condon structure with conjugated single and double bonds for the polyene chain, and another consists of a nearly equivalent series of partial double bonds along the polyene chain. The latter relaxed structure is consistent with the observation of high torsional energy barriers and low photoisomerization quantum yields for diphenylhexatriene in the singlet excited state manifold. Interestingly, such a simple quantum model as that of the particle in a one-dimensional box provides quite an accurate description of the absorption spectroscopic properties of these major compounds. This is partly the result of the most stable structures for these compounds being of the all-trans type; such structures increase in length as additional ethylene units are added, which makes them very similar to a one-dimensional box becoming increasingly longer.

Electrical degradation of double-Schottky barrier in ZnO varistors

NASA Astrophysics Data System (ADS)

He, Jinliang; Cheng, Chenlu; Hu, Jun

2016-03-01

Researches on electrical degradation of double-Schottky barrier in ZnO varistors are reviewed, aimed at the constitution of a full picture of universal degradation mechanism within the perspective of defect. Recent advances in study of ZnO materials by atomic-scale first-principles calculations are partly included and discussed, which brings to our attention distinct cognition on the native point defects and their profound impact on degradation.

Electrical degradation of double-Schottky barrier in ZnO varistors

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

He, Jinliang, E-mail: hejl@tsinghua.edu.cn; Cheng, Chenlu; Hu, Jun

2016-03-15

Researches on electrical degradation of double-Schottky barrier in ZnO varistors are reviewed, aimed at the constitution of a full picture of universal degradation mechanism within the perspective of defect. Recent advances in study of ZnO materials by atomic-scale first-principles calculations are partly included and discussed, which brings to our attention distinct cognition on the native point defects and their profound impact on degradation.

Cation ordering and effect of biaxial strain in double perovskite CsRbCaZnCl 6

DOE PAGES

Pilania, G.; Uberuaga, B. P.

2015-03-19

Here, we investigate the electronic structure, energetics of cation ordering, and effect of biaxial strain on double perovskite CsRbCaZnCl 6 using first-principles calculations based on density functional theory. The two constituents (i.e., CsCaCl 3 and RbZnCl 3) forming the double perovskite exhibit a stark contrast. While CsCaCl 3 is known to exist in a cubic perovskite structure and does not show any epitaxial strain induced phase transitions within an experimentally accessible range of compressive strains, RbZnCl 3 is thermodynamically unstable in the perovskite phase and exhibits ultra-sensitive response at small epitaxial strains if constrained in the perovskite phase. We showmore » that combining the two compositions in a double perovskite structure not only improves overall stability but also the strain-polarization coupling of the material. Our calculations predict a ground state with P4/nmm space group for the double perovskite, where A-site cations (i.e., Cs and Rb) are layer-ordered and B-site cations (i.e., Ca and Zn) prefer a rocksalt type ordering. The electronic structure and bandgap in this system are shown to be quite sensitive to the B-site cation ordering and is minimally affected by the ordering of A-site cations. We find that at experimentally accessible compressive strains CsRbCaZnCl 6 can be phase transformed from its paraelectric ground state to an antiferroelectric state, where Zn atoms contribute predominantly to the polarization. Furthermore, both energy difference and activation barrier for a transformation between this antiferroelectric state and the corresponding ferroelectric configuration are predicted to be small. As a result, the computational approach presented here opens a new pathway towards a rational design of novel double perovskites with improved strain response and functionalities.« less

Efficiency improvement of green light-emitting diodes by employing all-quaternary active region and electron-blocking layer

NASA Astrophysics Data System (ADS)

Usman, Muhammad; Saba, Kiran; Han, Dong-Pyo; Muhammad, Nazeer

2018-01-01

High efficiency of green GaAlInN-based light-emitting diode (LED) has been proposed with peak emission wavelength of ∼510 nm. By introducing quaternary quantum well (QW) along with the quaternary barrier (QB) and quaternary electron blocking layer (EBL) in a single structure, an efficiency droop reduction of up to 29% has been achieved in comparison to the conventional GaN-based LED. The proposed structure has significantly reduced electrostatic field in the active region. As a result, carrier leakage has been minimized and spontaneous emission rate has been doubled.

Electronic Characterization of Au/DNA/ITO Metal-Semiconductor-Metal Diode and Its Application as a Radiation Sensor.

PubMed

Al-Ta'ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Amin, Yusoff Mohd

2016-01-01

Deoxyribonucleic acid or DNA molecules expressed as double-stranded (DSS) negatively charged polymer plays a significant role in electronic states of metal/silicon semiconductor structures. Electrical parameters of an Au/DNA/ITO device prepared using self-assembly method was studied by using current-voltage (I-V) characteristic measurements under alpha bombardment at room temperature. The results were analyzed using conventional thermionic emission model, Cheung and Cheung's method and Norde's technique to estimate the barrier height, ideality factor, series resistance and Richardson constant of the Au/DNA/ITO structure. Besides demonstrating a strongly rectifying (diode) characteristic, it was also observed that orderly fluctuations occur in various electrical parameters of the Schottky structure. Increasing alpha radiation effectively influences the series resistance, while the barrier height, ideality factor and interface state density parameters respond linearly. Barrier height determined from I-V measurements were calculated at 0.7284 eV for non-radiated, increasing to about 0.7883 eV in 0.036 Gy showing an increase for all doses. We also demonstrate the hypersensitivity phenomena effect by studying the relationship between the series resistance for the three methods, the ideality factor and low-dose radiation. Based on the results, sensitive alpha particle detectors can be realized using Au/DNA/ITO Schottky junction sensor.

Electronic Characterization of Au/DNA/ITO Metal-Semiconductor-Metal Diode and Its Application as a Radiation Sensor

PubMed Central

Al-Ta’ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Amin, Yusoff Mohd

2016-01-01

Deoxyribonucleic acid or DNA molecules expressed as double-stranded (DSS) negatively charged polymer plays a significant role in electronic states of metal/silicon semiconductor structures. Electrical parameters of an Au/DNA/ITO device prepared using self-assembly method was studied by using current–voltage (I-V) characteristic measurements under alpha bombardment at room temperature. The results were analyzed using conventional thermionic emission model, Cheung and Cheung’s method and Norde’s technique to estimate the barrier height, ideality factor, series resistance and Richardson constant of the Au/DNA/ITO structure. Besides demonstrating a strongly rectifying (diode) characteristic, it was also observed that orderly fluctuations occur in various electrical parameters of the Schottky structure. Increasing alpha radiation effectively influences the series resistance, while the barrier height, ideality factor and interface state density parameters respond linearly. Barrier height determined from I–V measurements were calculated at 0.7284 eV for non-radiated, increasing to about 0.7883 eV in 0.036 Gy showing an increase for all doses. We also demonstrate the hypersensitivity phenomena effect by studying the relationship between the series resistance for the three methods, the ideality factor and low-dose radiation. Based on the results, sensitive alpha particle detectors can be realized using Au/DNA/ITO Schottky junction sensor. PMID:26799703

Search for Spin Filtering By Electron Tunneling Through Ferromagnetic EuS Barriers in Pbs

NASA Technical Reports Server (NTRS)

Figielski, T.; Morawski, A.; Wosinski, T.; Wrotek, S.; Makosa, A.; Lusakowska, E.; Story, T.; Sipatov, A. Yu.; Szczerbakow, A.; Grasza, K.;

Characterization of the Minimum Energy Paths for the Ring Closure Reactions of C4H3 with Acetylene

NASA Technical Reports Server (NTRS)

Walch, Stephen P.

1995-01-01

The ring closure reaction of C4H3 with acetylene to give phenyl radical is one proposed mechanism for the formation of the first aromatic ring in hydrocarbon combustion. There are two low-lying isomers of C4H3; 1-dehydro-buta-l-ene-3-yne (n-C4H3) and 2-dehydro-buta-l-ene-3-yne (iso-C4H3). It has been proposed that only n-C4H3 reacts with acetylene to give phenyl radical, and since iso-C4H3 is more stable than n-C4H3, formation of phenyl radical by this mechanism is unlikely. We report restricted Hartree-Fock (RHF) plus singles and doubles configuration interaction calculations with a Davidson's correction (RHF+1+2+Q) using the Dunning correlation consistent polarized valence double zeta basis set (cc-pVDZ) for stationary point structures along the reaction pathway for the reactions of n-C4H3 and iso-C4H3 with acetylene. n-C4H3 plus acetylene (9.4) has a small entrance channel barrier (17.7) (all energetics in parentheses are in kcal/mol with respect to iso-C4H3 plus acetylene) and the subsequent closure steps leading to phenyl radical (-91.9) are downhill with respect to the entrance channel barrier. Iso-C4H3 Plus acetylene also has an entrance channel barrier (14.9) and there is a downhill pathway to 1-dehydro-fulvene (-55.0). 1-dehydro-fulvene can rearrange to 6-dehydro-fulvene (-60.3) by a 1,3-hydrogen shift over a barrier (4.0), which is still below the entrance channel barrier, from which rearrangement to phenyl radical can occur by a downhill pathway. Thus, both n-C4H3 and iso-C4H3 can react with acetylene to give phenyl radical with small barriers.

Probing cis-trans isomerization in the S{sub 1} state of C{sub 2}H{sub 2} via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

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

Changala, P. Bryan; Baraban, Joshua H.; Field, Robert W., E-mail: rwfield@mit.edu

2015-08-28

We report novel experimental strategies that should prove instrumental in extending the vibrational and rotational assignments of the S{sub 1} state of acetylene, C{sub 2}H{sub 2}, in the region of the cis-trans isomerization barrier. At present, the assignments are essentially complete up to ∼500 cm{sup −1} below the barrier. Two difficulties arise when the assignments are continued to higher energies. One is that predissociation into C{sub 2}H + H sets in roughly 1100 cm{sup −1} below the barrier; the resulting quenching of laser-induced fluorescence (LIF) reduces its value for recording spectra in this region. The other difficulty is that tunnelingmore » through the barrier causes a staggering in the K-rotational structure of isomerizing vibrational levels. The assignment of these levels requires data for K values up to at least 3. Given the rotational selection rule K′ − ℓ{sup ′′} = ± 1, such data must be obtained via excited vibrational levels of the ground state with ℓ{sup ′′} > 0. In this paper, high resolution H-atom resonance-enhanced multiphoton ionization spectra are demonstrated to contain predissociated bands which are almost invisible in LIF spectra, while preliminary data using a hyperthermal pulsed nozzle show that ℓ{sup ′′} = 2 states can be selectively populated in a jet, giving access to K′ = 3 states in IR-UV double resonance.« less

Multi-layered nanoparticles for penetrating the endosome and nuclear membrane via a step-wise membrane fusion process.

PubMed

Akita, Hidetaka; Kudo, Asako; Minoura, Arisa; Yamaguti, Masaya; Khalil, Ikramy A; Moriguchi, Rumiko; Masuda, Tomoya; Danev, Radostin; Nagayama, Kuniaki; Kogure, Kentaro; Harashima, Hideyoshi

2009-05-01

Efficient targeting of DNA to the nucleus is a prerequisite for effective gene therapy. The gene-delivery vehicle must penetrate through the plasma membrane, and the DNA-impermeable double-membraned nuclear envelope, and deposit its DNA cargo in a form ready for transcription. Here we introduce a concept for overcoming intracellular membrane barriers that involves step-wise membrane fusion. To achieve this, a nanotechnology was developed that creates a multi-layered nanoparticle, which we refer to as a Tetra-lamellar Multi-functional Envelope-type Nano Device (T-MEND). The critical structural elements of the T-MEND are a DNA-polycation condensed core coated with two nuclear membrane-fusogenic inner envelopes and two endosome-fusogenic outer envelopes, which are shed in stepwise fashion. A double-lamellar membrane structure is required for nuclear delivery via the stepwise fusion of double layered nuclear membrane structure. Intracellular membrane fusions to endosomes and nuclear membranes were verified by spectral imaging of fluorescence resonance energy transfer (FRET) between donor and acceptor fluorophores that had been dually labeled on the liposome surface. Coating the core with the minimum number of nucleus-fusogenic lipid envelopes (i.e., 2) is essential to facilitate transcription. As a result, the T-MEND achieves dramatic levels of transgene expression in non-dividing cells.

Ideal MHD stability of double transport barrier plasmas in DIII-D

NASA Astrophysics Data System (ADS)

Li, G. Q.; Wang, S. J.; Lao, L. L.; Turnbull, A. D.; Chu, M. S.; Brennan, D. P.; Groebner, R. J.; Zhao, L.

2008-01-01

The ideal MHD stability for double transport barrier (DTB or DB) plasmas with varying edge and internal barrier width and height was investigated, using the ideal MHD stability code GATO. A moderate ratio of edge transport barriers (ETB) height to internal transport barriers (ITBs) height is found to be beneficial to MHD stability and the βN is limited by global low n instabilities. For moderate ITB width DB plasmas, if the ETB is weak, the stability is limited by n = 1 (n is the toroidal mode number) global mode; whereas if the ETB is strong it is limited by intermediate-n edge peeling-ballooning modes. Broadening the ITB can improve stability if the ITB half width wi lsim 0.3. For very broad ITB width plasmas the stability is limited by stability to a low n (n > 1) global mode.

Evaluation of ARMCO sound barriers on two bridges on I-495 : final report.

DOT National Transportation Integrated Search

1981-01-01

The purpose of this study was to determine the effectiveness of ARMCO double-wall, steel noise barriers attached to bridge parapets so as to provide continuity for roadside barriers. Measurements were taken opposite the sites of the discontinuities o...

Field Performance of A Compacted Clay Landfill Final cover At A Humid Site

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

Albright, William H.; Benson, Craig H.; Gee, Glendon W.

A study was conducted in southern Georgia, USA to evaluate how the hydraulic properties of the compacted clay barrier layer in a landfill final cover changed over a 4-yr service life. The cover was part of a test section constructed in a large drainage lysimeter that allowed CE Database subject headings: landfill, hydrogeology, compacted soils, lysimeters, desiccation continuous monitoring of the water balance. Patterns in the drainage (i.e., flow from the bottom of the cover) record suggest that preferential flow paths developed in the clay barrier soon after construction, apparently in response to desiccation cracking. After four years, the claymore » barrier was excavated and examined for changes in soil structure and hydraulic conductivity. Tests were conducted in situ with a sealed double-ring infiltrometer and two-stage borehole permeameters and in the laboratory on hand-carved blocks taken during construction and after four years of service. The in situ and laboratory tests indicated that the hydraulic conductivity increased approximately three orders of magnitude (from ? 10-7 to ? 10-4 cm s-1) during the service life. A dye tracer test and soil structure analysis showed that extensive cracking and root development occurred throughout the entire depth of the barrier layer. Laboratory tests on undisturbed specimens of the clay barrier indicated that the hydraulic conductivity of damaged clay barriers can be under-estimated significantly if small specimens (e.g., tube samples) are used for hydraulic conductivity assessment. The findings also indicate that clay barriers must be protected from desiccation and root intrusion if they are expected to function as intended, even at sites in warm, humid locations.« less

Quantum confinement of a hydrogenic donor in a double quantum well: Through diamagnetic susceptibility

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

Vignesh, G.; Nithiananthi, P., E-mail: nithyauniq@gmail.com

2015-06-24

Diamagnetic susceptibility of a randomly distributed donor in a GaAs/Al{sub 0.3}Ga{sub 0.7}As Double Quantum Well has been calculated in its ground state as a function of barrier and well width. It is shown that the modification in the barrier and well dimension significantly influences the dimensional character of the donor through modulating the subband distribution and in turn the localization of the donor. The effect of barrier and well thickness on the interparticle distance has also been observed. Interestingly it opens up the possibility of tuning the susceptibility and monitoring the tunnel coupling among the wells.

Quantum confinement of a hydrogenic donor in a double quantum well: Through diamagnetic susceptibility

NASA Astrophysics Data System (ADS)

Vignesh, G.; Nithiananthi, P.

2015-06-01

Diamagnetic susceptibility of a randomly distributed donor in a GaAs/Al0.3Ga0.7As Double Quantum Well has been calculated in its ground state as a function of barrier and well width. It is shown that the modification in the barrier and well dimension significantly influences the dimensional character of the donor through modulating the subband distribution and in turn the localization of the donor. The effect of barrier and well thickness on the interparticle distance has also been observed. Interestingly it opens up the possibility of tuning the susceptibility and monitoring the tunnel coupling among the wells.

Effect of the δ-potential on spin-dependent electron tunneling in double barrier semiconductor heterostructure

NASA Astrophysics Data System (ADS)

Chandrasekar, L. Bruno; Gnanasekar, K.; Karunakaran, M.

2018-06-01

The effect of δ-potential was studied in GaAs/Ga0.6Al0·4As double barrier heterostructure with Dresselhaus spin-orbit interaction. The role of barrier height and position of the δ- potential in the well region was analysed on spin-dependent electron tunneling using transfer matrix method. The spin-separation between spin-resonances on energy scale depends on both height and position of the δ- potential, whereas the tunneling life time of electrons highly influenced by the position of the δ- potential and not on the height. These results might be helpful for the fabrication of spin-filters.

Millimeter-band oscillations based on resonant tunneling in a double-barrier diode at room temperature

NASA Technical Reports Server (NTRS)

Brown, E. R.; Sollner, T. C. L. G.; Goodhue, W. D.; Parker, C. D.

1987-01-01

A double-barrier diode at room temperature has yielded oscillations with fundamental frequencies up to 56 GHz and second harmonics up to 87 GHz. The output powers at these frequencies were about 60 and 18 microW, respectively. These results are attributed to a recent improvement in the material parameters of the device and to the integration of the device into a waveguide resonator. The most successful diode to date has thin (about 1.5 nm) AlAs barriers, a 4.5-nm-wide GaAs quantum well, and 2 x 10 to the 17th/cu cm doping concentration in the n-GaAs outside the barriers. This particular diode is expected to oscillate at frequencies higher than those achieved by any reported p-n tunnel diode.

Planar heterostructures of single-layer transition metal dichalcogenides: Composite structures, Schottky junctions, tunneling barriers, and half metals

NASA Astrophysics Data System (ADS)

Aras, Mehmet; Kılıç, ćetin; Ciraci, S.

2017-02-01

Planar composite structures formed from the stripes of transition metal dichalcogenides joined commensurately along their zigzag or armchair edges can attain different states in a two-dimensional (2D), single-layer, such as a half metal, 2D or one-dimensional (1D) nonmagnetic metal and semiconductor. Widening of stripes induces metal-insulator transition through the confinements of electronic states to adjacent stripes, that results in the metal-semiconductor junction with a well-defined band lineup. Linear bending of the band edges of the semiconductor to form a Schottky barrier at the boundary between the metal and semiconductor is revealed. Unexpectedly, strictly 1D metallic states develop in a 2D system along the boundaries between stripes, which pins the Fermi level. Through the δ doping of a narrow metallic stripe one attains a nanowire in the 2D semiconducting sheet or narrow band semiconductor. A diverse combination of constituent stripes in either periodically repeating or finite-size heterostructures can acquire critical fundamental features and offer device capacities, such as Schottky junctions, nanocapacitors, resonant tunneling double barriers, and spin valves. These predictions are obtained from first-principles calculations performed in the framework of density functional theory.

Two Equivalent Methyl Internal Rotations in 2,5-DIMETHYLTHIOPHENE Investigated by Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Van, Vinh; Stahl, Wolfgang; Nguyen, Ha Vinh Lam

2016-06-01

The microwave spectrum of 2,5-dimethylthiophene, a sulfur-containing five-membered heterocyclic molecule with two conjugated double bonds, was recorded using two molecular beam Fourier transform microwave spectrometers operating in the frequency range from 2 to 40 GHz. Highly accurate molecular parameters were determined. The rotational constants obtained by geometry optimizations at different levels of theory are in good agreement with the experimental values. A C2v equilibrium structure was calculated, where one hydrogen atom of each methyl group is antiperiplanar to the sulfur atom, and the two methyl groups are thus equivalent. Transition states were optimized at different levels of theory using the Berny algorithm to calculate the barrier height of the two equivalent methyl rotors. The fitted experimental torsional barrier of 247.95594(30) wn is in reasonable agreement with the calculated barriers. Similar barriers to internal rotation were found for the monomethyl derivatives 2-methylthiophene (194.1 wn) and 3-methylthiophene (258.8 wn). A labeling scheme for the group G36 written as the semi-direct product (C3I x C3I) (x C2v was introduced.

Realization of a double-barrier resonant tunneling diode for cavity polaritons.

PubMed

Nguyen, H S; Vishnevsky, D; Sturm, C; Tanese, D; Solnyshkov, D; Galopin, E; Lemaître, A; Sagnes, I; Amo, A; Malpuech, G; Bloch, J

2013-06-07

We report on the realization of a double-barrier resonant tunneling diode for cavity polaritons, by lateral patterning of a one-dimensional cavity. Sharp transmission resonances are demonstrated when sending a polariton flow onto the device. We show that a nonresonant beam can be used as an optical gate and can control the device transmission. Finally, we evidence distortion of the transmission profile when going to the high-density regime, signature of polariton-polariton interactions.

Static and dynamic stereochemistry of the conformational atropisomers of tetra(o-tolyl)benzene.

PubMed

Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko

2005-11-25

[graph: see text] Whereas only one atropisomer of 1,2,4,5-tetra(o-tolyl)benzene was observed by X-ray diffraction in the solid, five conformational atropisomers were detected by low-temperature NMR in solution. Their structures were assigned by a combination of NOE experiments, solvent effect, and ab initio calculations. Variable temperature dynamic NMR and bidimensional EXSY experiments allowed the barrier for the interconversion of these atropisomers to be determined (deltaG(double dagger) = 15.3 kcal mol(-1)).

Recurrence intervals for the closure of the Dutch Maeslant surge barrier

NASA Astrophysics Data System (ADS)

van den Brink, Henk W.; de Goederen, Sacha

2017-09-01

The Dutch Maeslant Barrier, a movable surge barrier in the mouth of the river Rhine, closes when there is a surge in the North Sea and the water level in the river at Rotterdam exceeds 3 m above mean sea level. An important aspect of the failure probability is that the barrier might get damaged during a closure and that, within the time needed for repair, a second critical storm surge may occur. With an estimated closure frequency of once in 10 years, the question of how often the barrier has to be closed twice within one month arises.Instead of tackling this problem by the application of statistical models on the (short) observational series, we solve the problem by combining the surge model WAQUA/DCSMv5 with the output of all seasonal forecasts of the European Centre of Medium-Range Weather Forecasting (ECMWF) in the period 1981-2015, whose combination cumulates in a pseudo-observational series of more than 6000 years.We show that the Poisson process model leads to wrong results as it neglects the temporal correlations that are present on daily, weekly and monthly timescales.By counting the number of double events over a threshold of 2.5 m and assuming that the number of events is exponentially related to the threshold, it is found that two closures occur on average once in 150 years within a month, and once in 330 years within a week. The large uncertainty in these recurrence intervals of more than a factor of two is caused by the sensitivity of the results to the Gumbel parameters of the observed record, which are used for bias correction.Sea level rise has a significant impact on the recurrence time for both single and double closures. The recurrence time of single closures doubles with every 18 cm mean sea level rise (assuming that other influences remain unchanged) and double closures double with every 10 cm rise. This implies a 3-14 times higher probability of a double closure for a 15-40 cm sea level rise in 2050 (according to the KNMI climate scenarios).

Calculation of the electron wave function in a graded-channel double-heterojunction modulation-doped field-effect transistor

NASA Technical Reports Server (NTRS)

Mui, D. S. L.; Patil, M. B.; Morkoc, H.

1989-01-01

Three double-heterojunction modulation-doped field-effect transistor structures with different channel composition are investigated theoretically. All of these transistors have an In(x)Ga(1-x)As channel sandwiched between two doped Al(0.3)Ga(0.7)As barriers with undoped spacer layers. In one of the structures, x varies from 0 from either heterojunction to 0.15 at the center of the channel quadratically; in the other two, constant values of x of 0 and 0.15 are used. The Poisson and Schroedinger equations are solved self-consistently for the electron wave function in all three cases. The results showed that the two-dimensional electron gas (2DEG) concentration in the channel of the quadratically graded structure is higher than the x = 0 one and slightly lower than the x = 0.15 one, and the mean distance of the 2DEG is closer to the center of the channel for this transistor than the other two. These two effects have important implications on the electron mobility in the channel.

Factors affecting the integration of immigrant nurses into the nursing workforce: A double hermeneutic study.

PubMed

Xiao, Lily Dongxia; Willis, Eileen; Jeffers, Lesley

2014-04-01

Variations in nursing practice and communication difficulties pose a challenge for the successful integration into the workforce of immigrant nurses. Evidence for this is found in cultural clashes, interpersonal conflicts, communication problems, prejudiced attitudes and discrimination towards immigrant nurses. While the evidence shows that integrating immigrant nurses into the nursing workforce is shaped by factors that are socially constructed, studies that examine social structures affecting workforce integration are sparse. The aim of this study was to examine interplaying relationships between social structures and nurses' actions that either enabled or inhibited workforce integration in hospital settings. Giddens' Structuration Theory with double hermeneutic methodology was used to interpret 24 immigrant and 20 senior nurses' perceptions of factors affecting workforce integration. Four themes were identified from the data. These were: (1) employer-sponsored visa as a constraint on adaptation, (2) two-way learning and adaptation in multicultural teams, (3) unacknowledged experiences and expertise as barriers to integration, and (4) unquestioned sub-group norms as barriers for group cohesion. The themes presented a critical perspective that unsuitable social structures (policies and resources) constrained nurses' performance in workforce integration in the context of nurse immigration. The direction of structural changes needed to improve workforce integration is illustrated throughout the discussions of policies and resources required for workforce integration at national and organisational levels, conditions for positive group interactions and group cohesion in organisations. Our study reveals inadequate rules and resources used to recruit, classify and utilise immigrant nurses at national and healthcare organisational levels can become structural constraints on their adaptation to professional nursing practice and integration into the workforce in a host country. Learning from each other in multicultural teams and positive intergroup interaction in promoting intercultural understanding are enablers contributing to immigrant nurses' adaptation and workforce integration. Copyright © 2013 Elsevier Ltd. All rights reserved.

Enhanced nonlinear current-voltage behavior in Au nanoparticle dispersed CaCu 3 Ti 4 O 12 composite films

NASA Astrophysics Data System (ADS)

Chen, Cong; Wang, Can; Ning, Tingyin; Lu, Heng; Zhou, Yueliang; Ming, Hai; Wang, Pei; Zhang, Dongxiang; Yang, Guozhen

2011-10-01

An enhanced nonlinear current-voltage behavior has been observed in Au nanoparticle dispersed CaCu 3Ti 4O 12 composite films. The double Schottky barrier model is used to explain the enhanced nonlinearity in I-V curves. According to the energy-band model and fitting result, the nonlinearity in Au: CCTO film is mainly governed by thermionic emission in the reverse-biased Schottky barrier. This result not only supports the mechanism of double Schottky barrier in CCTO, but also indicates that the nonlinearity of current-voltage behavior could be improved in nanometal composite films, which has great significance for the resistance switching devices.

Mutagenic consequences of a single G-quadruplex demonstrate mitotic inheritance of DNA replication fork barriers

PubMed Central

Lemmens, Bennie; van Schendel, Robin; Tijsterman, Marcel

2015-01-01

Faithful DNA replication is vital to prevent disease-causing mutations, chromosomal aberrations and malignant transformation. However, accuracy conflicts with pace and flexibility and cells rely on specialized polymerases and helicases to ensure effective and timely replication of genomes that contain DNA lesions or secondary structures. If and how cells can tolerate a permanent barrier to replication is, however, unknown. Here we show that a single unresolved G-quadruplexed DNA structure can persist through multiple mitotic divisions without changing conformation. Failed replication across a G-quadruplex causes single-strand DNA gaps that give rise to DNA double-strand breaks in subsequent cell divisions, which are processed by polymerase theta (POLQ)-mediated alternative end joining. Lineage tracing experiments further reveal that persistent G-quadruplexes cause genetic heterogeneity during organ development. Our data demonstrate that a single lesion can cause multiple unique genomic rearrangements, and that alternative end joining enables cells to proliferate in the presence of mitotically inherited replication blocks. PMID:26563448

Mutagenic consequences of a single G-quadruplex demonstrate mitotic inheritance of DNA replication fork barriers.

PubMed

Lemmens, Bennie; van Schendel, Robin; Tijsterman, Marcel

2015-11-13

Faithful DNA replication is vital to prevent disease-causing mutations, chromosomal aberrations and malignant transformation. However, accuracy conflicts with pace and flexibility and cells rely on specialized polymerases and helicases to ensure effective and timely replication of genomes that contain DNA lesions or secondary structures. If and how cells can tolerate a permanent barrier to replication is, however, unknown. Here we show that a single unresolved G-quadruplexed DNA structure can persist through multiple mitotic divisions without changing conformation. Failed replication across a G-quadruplex causes single-strand DNA gaps that give rise to DNA double-strand breaks in subsequent cell divisions, which are processed by polymerase theta (POLQ)-mediated alternative end joining. Lineage tracing experiments further reveal that persistent G-quadruplexes cause genetic heterogeneity during organ development. Our data demonstrate that a single lesion can cause multiple unique genomic rearrangements, and that alternative end joining enables cells to proliferate in the presence of mitotically inherited replication blocks.

Stability, denaturation and refolding of Mycobacterium tuberculosis MfpA, a DNA mimicking protein that confers antibiotic resistance

PubMed Central

Khrapunov, Sergei; Brenowitz, Michael

2011-01-01

MfpA from Mycobacterium tuberculosis is a founding member of the pentapeptide repeat class of proteins (PRP) that is believed to confer bacterial resistance to the drug fluoroquinolone by mimicking the size, shape and surface charge of duplex DNA. We show that phenylalanine side chain stacking stabilizes the N-terminus of MfpA’s pentapeptide thus extending the DNA mimicry analogy. The Lumry-Eyring model was applied to multiple spectral measures of MfpA denaturation revealing that the MfpA dimer dissociates to monomers which undergo a structural transition that leads to aggregation. MfpA retains high secondary and tertiary structure content under denaturing conditions. Dimerization stabilizes MfpA’s pentapeptide repeat fold. The high Arrhenius activation energy of the barrier to aggregate formation rationalizes its stability. The mechanism of MfpA denaturation and refolding is a ‘double funnel’ energy landscape where the ‘native’ and ‘aggregate’ funnels are separated by the high barrier that is not overcome during in vitro refolding. PMID:21605934

Innovative Linear Low Density Polyethylene Nanocomposite Films Reinforced with Organophilic Layered Double Hydroxides: Fabrication, Morphology and Enhanced Multifunctional Properties.

PubMed

Xie, Jiazhuo; Wang, Haijun; Wang, Zhou; Zhao, Qinghua; Yang, Yuechao; Waterhouse, Geoffrey I N; Hao, Lei; Xiao, Zihao; Xu, Jing

2018-01-08

Herein, we reported the successful development of novel nanocomposite films based on linear low density polyethylene (LLDPE) with enhanced anti-drop, optical, mechanical, thermal and water vapor barrier properties by introducing organophilic layered double hydroxides (OLDHs) nanosheets. OLDHs loadings were varied from 0-6 wt.%. Structural analyses using the Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX) indicated that the OLDHs nanosheets were homogeneously dispersed with an ordered alignment in the LLDPE matrix. The LLDPE film containing 2 wt.% OLDHs (denoted as OLDHs-2) showed the optimal mechanical, thermal and water vapor barrier properties, whilst the anti-drop and optical performance of the films improved with increasing OLDHs content. The enhanced antidrop properties of the composite films relative to pristine LLDPE can be expected to effectively reduce agricultural losses to disease when the films are applied as agricultural films, whilst the superior light transmittance and water-retaining properties of the composite films will boost agricultural production. Results presented suggest that multifunctional LLDPE/OLDHs nanocomposites show great promise as low cost agricultural plastic films.

The GaOH-HGaO potential energy hypersurface and the necessity of correlating the 3d electrons

NASA Astrophysics Data System (ADS)

Richards, Claude A., Jr.; Yamaguchi, Yukio; Kim, Seung-Joon; Schaefer, Henry F., III

1996-06-01

The ground state potential energy hypersurface of the GaOH-HGaO system has been investigated using high level ab initio molecular electronic structure theory. The geometries and physical properties of two equilibrium structures, one isomerization transition state and one inversion transition state were determined at the self-consistent field (SCF), configuration interaction with single and double excitations (CISD), coupled cluster with single and double excitations (CCSD), and CCSD with perturbative triple excitations [CCSD(T)] levels of theory with four sets of basis functions. It has been found that freezing the 3d electrons of the Ga atom in the correlation procedures is not appropriate for this system. For the energy difference ΔE (GaOH-HGaO) the freezing of the 3d electrons results in an error of 25 kcal/mol! The dipole moments, harmonic vibrational frequencies, and infrared (IR) intensities are predicted for the four stationary points. At the highest level of theory employed in this study, CCSD(T) using triple zeta plus double polarization with higher angular momentum and diffuse functions [TZ2P(f,d)+diff] basis set, the bent GaOH was found to be 41.9 kcal/mol more stable than the linear HGaO species; with the zero-point vibrational energy (ZPVE) correction, the energy separation becomes 40.4 kcal/mol. The classical barrier height for the exothermic isomerization (1,2 hydrogen shift) reaction HGaO→GaOH is determined to be 44.5 kcal/mol and the barrier height with the ZPVE correction 42.3 kcal/mol. The classical barrier to linearity for the bent GaOH molecule is determined to be 1.7 kcal/mol and the barrier height with the ZPVE correction to be 1.2 kcal/mol. The predicted dipole moments of GaOH and HGaO are 1.41 and 4.45 Debye, respectively. The effects of electron correlation reduce the dipole moment of HGaO by the sizable amount of 1.2 Debye. The two equilibrium species may be suitable for microwave spectroscopic investigation. Furthermore, they may also be detectable by IR techniques due to the relatively large intensities of their vibrational modes. The geometrical and energetic features are compared with those of the valence isoelectronic HXO-XOH systems, where X is a group IIIA atom and the HXO+-XOH+ systems, where X is a group IVA atom.

Structural Basis of Actin Filament Nucleation by Tandem W Domains

PubMed Central

Chen, Xiaorui; Ni, Fengyun; Tian, Xia; Kondrashkina, Elena; Wang, Qinghua; Ma, Jianpeng

2013-01-01

SUMMARY Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells have evolved a set of actin filament nucleators to promote rapid nucleation and polymerization in response to specific stimuli. However, the molecular mechanism of actin nucleation remains poorly understood. This is hindered largely by the fact that actin nucleus, once formed, rapidly polymerizes into filament, thus making it impossible to capture stable multisubunit actin nucleus. Here, we report an effective double-mutant strategy to stabilize actin nucleus by preventing further polymerization. Employing this strategy, we solved the crystal structure of AMPPNP-actin in complex with the first two tandem W domains of Cordon-bleu (Cobl), a potent actin filament nucleator. Further sequence comparison and functional studies suggest that the nucleation mechanism of Cobl is probably shared by the p53 cofactor JMY, but not Spire. Moreover, the double-mutant strategy opens the way for atomic mechanistic study of actin nucleation and polymerization. PMID:23727244

SUCROSE TRANSPORTER 5 supplies Arabidopsis embryos with biotin and affects triacylglycerol accumulation

PubMed Central

Pommerrenig, Benjamin; Popko, Jennifer; Heilmann, Mareike; Schulmeister, Sylwia; Dietel, Katharina; Schmitt, Bianca; Stadler, Ruth; Feussner, Ivo; Sauer, Norbert

2013-01-01

The Arabidopsis SUC5 protein represents a classical sucrose/H+ symporter. Functional analyses previously revealed that SUC5 also transports biotin, an essential co-factor for fatty acid synthesis. However, evidence for a dual role in transport of the structurally unrelated compounds sucrose and biotin in plants was lacking. Here we show that SUC5 localizes to the plasma membrane, and that the SUC5 gene is expressed in developing embryos, confirming the role of the SUC5 protein as substrate carrier across apoplastic barriers in seeds. We show that transport of biotin but not of sucrose across these barriers is impaired in suc5 mutant embryos. In addition, we show that SUC5 is essential for the delivery of biotin into the embryo of biotin biosynthesis-defective mutants (bio1 and bio2). We compared embryo and seedling development as well as triacylglycerol accumulation and fatty acid composition in seeds of single mutants (suc5, bio1 or bio2), double mutants (suc5 bio1 and suc5 bio2) and wild-type plants. Although suc5 mutants were like the wild-type, bio1 and bio2 mutants showed developmental defects and reduced triacylglycerol contents. In suc5 bio1 and suc5 bio2 double mutants, developmental defects were severely increased and the triacylglycerol content was reduced to a greater extent in comparison to the single mutants. Supplementation with externally applied biotin helped to reduce symptoms in both single and double mutants, but the efficacy of supplementation was significantly lower in double than in single mutants, showing that transport of biotin into the embryo is lower in the absence of SUC5. PMID:23031218

The transition mechanism from a symmetric single period discharge to a period-doubling discharge in atmospheric helium dielectric-barrier discharge

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

Zhang, Dingzong; Wang, Yanhui; Wang, Dezhen

2013-06-15

Period-doubling and chaos phenomenon have been frequently observed in atmospheric-pressure dielectric-barrier discharges. However, how a normal single period discharge bifurcates into period-doubling state is still unclear. In this paper, by changing the driving frequency, we study numerically the transition mechanisms from a normal single period discharge to a period-doubling state using a one-dimensional self-consistent fluid model. The results show that before a discharge bifurcates into a period-doubling state, it first deviates from its normal operation and transforms into an asymmetric single period discharge mode. Then the weaker discharge in this asymmetric discharge will be enhanced gradually with increasing of themore » frequency until it makes the subsequent discharge weaken and results in the discharge entering a period-doubling state. In the whole transition process, the spatial distribution of the charged particle density and the electric field plays a definitive role. The conclusions are further confirmed by changing the gap width and the amplitude of the applied voltage.« less

Theory of nonlinear elasticity, stress-induced relaxation, and dynamic yielding in dense fluids of hard nonspherical colloids

NASA Astrophysics Data System (ADS)

Zhang, Rui; Schweizer, Kenneth S.

2012-04-01

We generalize the microscopic naïve mode coupling and nonlinear Langevin equation theories of the coupled translation-rotation dynamics of dense suspensions of uniaxial colloids to treat the effect of applied stress on shear elasticity, cooperative cage escape, structural relaxation, and dynamic and static yielding. The key concept is a stress-dependent dynamic free energy surface that quantifies the center-of-mass force and torque on a moving colloid. The consequences of variable particle aspect ratio and volume fraction, and the role of plastic versus double glasses, are established in the context of dense, glass-forming suspensions of hard-core dicolloids. For low aspect ratios, the theory provides a microscopic basis for the recently observed phenomenon of double yielding as a consequence of stress-driven sequential unlocking of caging constraints via reduction of the distinct entropic barriers associated with the rotational and translational degrees of freedom. The existence, and breadth in volume fraction, of the double yielding phenomena is predicted to generally depend on both the degree of particle anisotropy and experimental probing frequency, and as a consequence typically occurs only over a window of (high) volume fractions where there is strong decoupling of rotational and translational activated relaxation. At high enough concentrations, a return to single yielding is predicted. For large aspect ratio dicolloids, rotation and translation are always strongly coupled in the activated barrier hopping event, and hence for all stresses only a single yielding process is predicted.

Communication: Electronic flux induced by crossing the transition state

NASA Astrophysics Data System (ADS)

Jia, Dongming; Manz, Jörn; Yang, Yonggang

2018-01-01

We present a new effect of chemical reactions, e.g., isomerizations, that occurs when the reactants pass along the transition state, on the way to products. It is based on the well-known fact that at the transition state, the electronic structure of one isomer changes to the other. We discover that this switch of electronic structure causes a strong electronic flux that is well distinguishable from the usual flux of electrons that travel with the nuclei. As a simple but clear example, the effect is demonstrated here for bond length isomerization of Na2 (21Σu+), with adiabatic crossing the barrier between the inner and outer wells of the double minimum potential that support different "Rydberg" and "ionic" type electronic structures, respectively.

The influence of double-credit evidence-based continuing medical education on presenters and learners.

PubMed

Lawrence, Steven L; Morzinski, Jeffrey A; Radjenovich, Mary Ellen

2008-07-01

Medical specialties are adopting methods to improve continuing medical education (CME). A "double credit" option, sponsored by the American Academy of Family Physicians, is now available for presentations submitted and approved as evidence based (EB). To compare usual and double-credit CME presentations to determine differences in preparation resources and time, and to compare conference attendees' satisfaction. Those not submitting double-credit applications were asked about perceived barriers. Three pretested, written surveys were administered at a 2.5 day CME conference held annually in Southeastern Wisconsin. Subjects were 38 presenters and 172 attendees, mostly primary care physicians. Twelve presentations were approved for double-credit; these presenters used a greater percentage of on-line EB resources to prepare their talks (64% versus 23%), and preparation required an additional 4.75 hours on average. Over 90% of attendees perceived greater conference quality due to the EB emphasis. Top barriers to double-credit EB applications were time limits and perceptions that topics were inappropriate. Double-credit presenters use a greater percentage of EB resources, while their counterparts used more professional experience to prepare CME presentations. Attendees reported improved quality and value with increased EB CME. Time is a perceived and real factor in preparing double-credit applications.

A qualitative study on healthcare professionals' perceived barriers to insulin initiation in a multi-ethnic population.

PubMed

Lee, Yew Kong; Lee, Ping Yein; Ng, Chirk Jenn

2012-07-04

Nationwide surveys have shown that the prevalence of diabetes rates in Malaysia have almost doubled in the past ten years; yet diabetes control remains poor and insulin therapy is underutilized. This study aimed to explore healthcare professionals' views on barriers to starting insulin therapy in people with type 2 diabetes. Healthcare professionals consisting of general practitioners (n = 11), family medicine specialists (n = 10), medical officers (n = 8), government policy makers (n = 4), diabetes educators (n = 3) and endocrinologists (n = 2) were interviewed. A semi-structured topic guide was used to guide the interviews by trained facilitators. The interviews were transcribed verbatim and analysed using a thematic analysis approach. Insulin initiation was found to be affected by patient, healthcare professional and system factors. Patients' barriers include culture-specific barriers such as the religious purity of insulin, preferred use of complementary medication and perceived lethality of insulin therapy. Healthcare professionals' barriers include negative attitudes towards insulin therapy and the 'legacy effect' of old insulin guidelines; whilst system barriers highlight the lack of resources, language and communication challenges. Tackling the issue of insulin initiation should not only happen during clinical consultations. It requires health education to emphasise the progressive nature of diabetes and the eventuality of insulin therapy at early stage of the illness. Healthcare professionals should be trained how to initiate insulin and communicate effectively with patients from various cultural and religious backgrounds.

Hydrolysis of Ketene Catalyzed by Formic Acid: Modification of Reaction Mechanism, Energetics, and Kinetics with Organic Acid Catalysis

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

Louie, Matthew K.; Francisco, Joseph S.; Verdicchio, Marco

2015-05-14

The hydrolysis of ketene (H2C=C=O) to form acetic acid involving two water molecules and also separately in the presence of one to two water molecules and formic acid (FA) was investigated. Our results show that, while the currently accepted indirect mechanism, involving addition of water across the carbonyl C=O bond of ketene to form an ene-diol followed by tautomerization of the ene-diol to form acetic acid, is the preferred pathway when water alone is present, with formic acid as catalyst, addition of water across the ketene C=C double bond to directly produce acetic acid becomes the kinetically favored pathway formore » temperatures below 400 K. We find not only that the overall barrier for ketene hydrolysis involving one water molecule and formic acid (H2C2O + H2O + FA) is significantly lower than that involving two water molecules (H2C2O + 2H(2)O) but also that FA is able to reduce the barrier height for the direct path, involving addition of water across the C=C double bond, so that it is essentially identical with (6.4 kcal/mol) that for the indirect ene-diol formation path involving addition of water across the C=O bond. For the case of ketene hydrolysis involving two water molecules and formic acid (H2C2O + 2H(2)O + FA), the barrier for the direct addition of water across the C=C double bond is reduced even further and is 2.5 kcal/mol lower relative to the ene-diol path involving addition of water across the C=O bond. In fact, the hydrolysis barrier for the H2C2O + 2H(2)O + FA reaction through the direct path is sufficiently low (2.5 kcal/mol) for it to be an energetically accessible pathway for acetic acid formation under atmospheric conditions. Given the structural similarity between acetic and formic acid, our results also have potential implications for aqueous-phase chemistry. Thus, in an aqueous environment, even in the absence of formic acid, though the initial mechanism for ketene hydrolysis is expected to involve addition of water across the carbonyl bond as is currently accepted, the production and accumulation of acetic acid will likely alter the preferred pathway to one involving addition of water across the ketene C=C double bond as the reaction proceeds.« less

Design of a Bottom Impermeable Barrier in Conjunction with A contaminated Site Containment Structure.

DTIC Science & Technology

1994-05-01

utilizes drill bits and tubing to cut through the soil. Unlike the auger method, a slurry mixture is used to keep the drill bit clean and assist in...is applied. In the sleeve pipe method, or also called tube -a-manchette, the sleeve pipe is installed in the grout hole, and sealed in place with a...acts as a one-way valve. allowing grout out of the pipe, but not back into the sleeve. A grouting tube with double packer is used to inject the grout

Practice and attitudes regarding double gloving among staff surgeons and surgical trainees.

PubMed

Lipson, Mark E; Deardon, Rob; Switzer, Noah J; de Gara, Chris; Ball, Chad G; Grondin, Sean C

2018-06-01

Despite supporting evidence, many staff surgeons and surgical trainees do not routinely double glove. We performed a study to assess rates of and attitudes toward double gloving and the use of eye protection in the operating room. We conducted an electronic survey among all staff surgeons and surgical trainees at 2 tertiary care centres in Alberta between September and November 2015.We analyzed the data using log-binomial regression for binary outcomes to account for multiple independent variables and interactions. For 2-group comparisons, we used a 2-group test of proportions. The response rate was 34.3% (361/1051); 205/698 staff surgeons (29.4%) and 156/353 surgical trainees (44.2%) responded. Trainees were more likely than staff surgeons to ever double glove in the operating room ( p = 0.01) and to do so routinely ( p = 0.01). Staff surgeons were more likely than trainees to never double glove ( p = 0.01). A total of 300/353 respondents (85.0%) reported using eye protection routinely in the operating room. Needle-stick injury was common (184 staff surgeons [92.5%], 115 trainees [74.7%]). Reduced tactile feedback, decreased manual dexterity and discomfort/poor fit were perceived barriers to double gloving. Rates of double gloving leave room for improvement. Surgical trainees were more likely than staff surgeons to double glove. Barriers remain to routine double gloving among staff surgeons and trainees. Increased education on the benefits of double gloving and early introduction of this practice may increase uptake.

Diamagnetic susceptibility: An indicator of pressure induced donor localization in a double quantum well

NASA Astrophysics Data System (ADS)

Vignesh, G.; Nithiananthi, P.

2016-04-01

The influence of pressure along the growth axis on carrier localization in GaAs/Al0.3Ga0.7As Double Quantum Well (DQW) is studied under strongly coupled regime and isolated regimes of the well. The effective mass approximation combined with variation technique is adopted with the inclusion of mismatches in effective mass and dielectric constants of the well and barrier material. Effect of the barrier and well on carrier localization is investigated by observing the diamagnetic susceptibility (χdia) for various impurity locations (zi) and the critical limit of the barrier (Lb ≈ 50 Å) for tunneling has also been estimated. The effect of Γ-Χ crossover due to the application of pressure on the donor localization is picturized through diamagnetic susceptibility.

Localization or tunneling in asymmetric double-well potentials

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

Song, Dae-Yup, E-mail: dsong@sunchon.ac.kr

An asymmetric double-well potential is considered, assuming that the wells are parabolic around the minima. The WKB wave function of a given energy is constructed inside the barrier between the wells. By matching the WKB function to the exact wave functions of the parabolic wells on both sides of the barrier, for two almost degenerate states, we find a quantization condition for the energy levels which reproduces the known energy splitting formula between the two states. For the other low-lying non-degenerate states, we show that the eigenfunction should be primarily localized in one of the wells with negligible magnitude inmore » the other. Using Dekker’s method (Dekker, 1987), the present analysis generalizes earlier results for weakly biased double-well potentials to systems with arbitrary asymmetry.« less

Comment on 'Observation of intrinsic bistability in resonant-tunneling structures'

NASA Technical Reports Server (NTRS)

Sollner, T. C. L. G.

1987-01-01

It is suggested that the intrinsic bistability observed by Goldman et al. (1987) occurred not because of charging of the well, as is claimed, but because of oscillations in the negative-resistance region. A typical I-V curve for a double-barrier resonant-tunneling (DBRT) diode which is known to be oscillating is presented. In a reply to this comment, Goldman et al. show that the series resistance (of about 100 ohms) in Sollner's sample leads to extrinsic, rather than intrinsic, bistability. It is furthermore suggested that the mere presence of an oscillation does not in itself exclude intrinsic bistability in a DBRT structure. It is also noted that the intrinsic bistability and buildup of negative charge-space in a DBRT structure well has been demonstrated experimentally by Payling et al. (1987).

Raman spectroscopic study of plasma-treated salmon DNA

NASA Astrophysics Data System (ADS)

Joon Lee, Geon; Kwon, Young-Wan; Hee Kim, Yong; Ha Choi, Eun

2013-01-01

In this research, we studied the effect of plasma treatment on the optical/structural properties of the deoxyribonucleic acid (DNA) extracted from salmon sperm. DNA-cetyltrimethylammonium (CTMA) films were obtained by complexation of DNA with CTMA. Circular dichroism (CD) and Raman spectra indicated that DNA retained its double helical structure in the solid film. The Raman spectra exhibited several vibration modes corresponding to the nuclear bases and the deoxyribose-phosphate backbones of the DNA, as well as the alkylchains of CTMA. Dielectric-barrier-discharge (DBD) plasma treatment induced structural modification and damage to the DNA, as observed by changes in the ultraviolet-visible absorption, CD, and Raman spectra. The optical emission spectra of the DBD plasma confirmed that DNA modification was induced by plasma ions such as reactive oxygen species and reactive nitrogen species.

New Tunneling Features in Polar III-Nitride Resonant Tunneling Diodes

NASA Astrophysics Data System (ADS)

Encomendero, Jimy; Faria, Faiza Afroz; Islam, S. M.; Protasenko, Vladimir; Rouvimov, Sergei; Sensale-Rodriguez, Berardi; Fay, Patrick; Jena, Debdeep; Xing, Huili Grace

2017-10-01

For the past two decades, repeatable resonant tunneling transport of electrons in III-nitride double barrier heterostructures has remained elusive at room temperature. In this work we theoretically and experimentally study III-nitride double-barrier resonant tunneling diodes (RTDs), the quantum transport characteristics of which exhibit new features that are unexplainable using existing semiconductor theory. The repeatable and robust resonant transport in our devices enables us to track the origin of these features to the broken inversion symmetry in the uniaxial crystal structure, which generates built-in spontaneous and piezoelectric polarization fields. Resonant tunneling transport enabled by the ground state as well as by the first excited state is demonstrated for the first time over a wide temperature window in planar III-nitride RTDs. An analytical transport model for polar resonant tunneling heterostructures is introduced for the first time, showing a good quantitative agreement with experimental data. From this model we realize that tunneling transport is an extremely sensitive measure of the built-in polarization fields. Since such electric fields play a crucial role in the design of electronic and photonic devices, but are difficult to measure, our work provides a completely new method to accurately determine their magnitude for the entire class of polar heterostructures.

Excited state free energy calculations of Cy3 in different environments

NASA Astrophysics Data System (ADS)

Sawangsang, Pilailuk; Buranachai, Chittanon; Punwong, Chutintorn

2015-05-01

Cy3, a cyanine dye, is one of the most widely used dyes in investigating the structure and dynamics of biomolecules by means of fluorescence methods. However, Cy3 fluorescence emission is strongly competed by trans-cis isomerization, whose efficiency is dictated by the isomerization energy barrier and the environment of Cy3. The fluorescence quantum yield of Cy3 is very low when the dye is free in homogeneous solution but it is considerably enhanced in an environment that rigidifies the structure, e.g. when it is attached to a DNA strand. In this work, the barriers for isomerization on the excited state of free Cy3, and Cy3 attached to single- and double-stranded DNA in methanol, are presented. The free energy and subsequently the isomerization barrier calculations are performed using the umbrella sampling technique with the weighted histogram analysis method. The hybrid quantum mechanics/molecular mechanics (QM/MM) approach is employed to provide the potential energy surfaces for the excited state dynamics simulations in umbrella sampling. The semiempirical floating occupation molecular orbital configuration interaction method is used for electronic excited state calculations of the QM region (Cy3). From the free energy calculations, the barrier of Cy3 attached to the single-stranded DNA is highest, in agreement with previously reported experimental results. This is likely due to the stacking interaction between Cy3 and DNA. Such a stacking interaction is likely associated with steric hindrance that prevents the rotation around the conjugated bonds of Cy3. If Cy3 experiences high steric hindrance, it has a higher isomerization barrier and thus the efficiency of fluorescence emission increases.

Biomimetic collagen I and IV double layer Langmuir-Schaefer films as microenvironment for human pluripotent stem cell derived retinal pigment epithelial cells.

PubMed

Sorkio, Anni E; Vuorimaa-Laukkanen, Elina P; Hakola, Hanna M; Liang, Huamin; Ujula, Tiina A; Valle-Delgado, Juan José; Österberg, Monika; Yliperttula, Marjo L; Skottman, Heli

2015-05-01

The environmental cues received by the cells from synthetic substrates in vitro are very different from those they receive in vivo. In this study, we applied the Langmuir-Schaefer (LS) deposition, a variant of Langmuir-Blodgett technique, to fabricate a biomimetic microenvironment mimicking the structure and organization of native Bruch's membrane for the production of the functional human embryonic stem cell derived retinal pigment epithelial (hESC-RPE) cells. Surface pressure-area isotherms were measured simultaneously with Brewster angle microscopy to investigate the self-assembly of human collagens type I and IV on air-subphase interface. Furthermore, the structure of the prepared collagen LS films was characterized with scanning electron microscopy, atomic force microscopy, surface plasmon resonance measurements and immunofluorescent staining. The integrity of hESC-RPE on double layer LS films was investigated by measuring transepithelial resistance and permeability of small molecular weight substance. Maturation and functionality of hESC-RPE cells on double layer collagen LS films was further assessed by RPE-specific gene and protein expression, growth factor secretion, and phagocytic activity. Here, we demonstrated that the prepared collagen LS films have layered structure with oriented fibers corresponding to architecture of the uppermost layers of Bruch's membrane and result in increased barrier properties and functionality of hESC-RPE cells as compared to the commonly used dip-coated controls. Copyright © 2015 Elsevier Ltd. All rights reserved.

Resonant Tunneling in Photonic Double Quantum Well Heterostructures.

PubMed

Cox, Joel D; Singh, Mahi R

2010-01-30

Here, we study the resonant photonic states of photonic double quantum well (PDQW) heterostructures composed of two different photonic crystals. The heterostructure is denoted as B/A/B/A/B, where photonic crystals A and B act as photonic wells and barriers, respectively. The resulting band structure causes photons to become confined within the wells, where they occupy discrete quantized states. We have obtained an expression for the transmission coefficient of the PDQW heterostructure using the transfer matrix method and have found that resonant states exist within the photonic wells. These resonant states occur in split pairs, due to a coupling between degenerate states shared by each of the photonic wells. It is observed that when the resonance energy lies at a bound photonic state and the two photonic quantum wells are far away from each other, resonant states appear in the transmission spectrum of the PDQW as single peaks. However, when the wells are brought closer together, coupling between bound photonic states causes an energy-splitting effect, and the transmitted states each have two peaks. Essentially, this means that the system can be switched between single and double transparent states. We have also observed that the total number of resonant states can be controlled by varying the width of the photonic wells, and the quality factor of transmitted peaks can be drastically improved by increasing the thickness of the outer photonic barriers. It is anticipated that the resonant states described here can be used to develop new types of photonic-switching devices, optical filters, and other optoelectronic devices.

Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation.

PubMed

Hu, Shenshen; Sharma, Sudhir C; Scouras, Alexander D; Soudackov, Alexander V; Carr, Cody A Marcus; Hammes-Schiffer, Sharon; Alber, Tom; Klinman, Judith P

2014-06-11

The enzyme soybean lipoxygenase (SLO) has served as a prototype for hydrogen-tunneling reactions, as a result of its unusual kinetic isotope effects (KIEs) and their temperature dependencies. Using a synergy of kinetic, structural, and theoretical studies, we show how the interplay between donor-acceptor distance and active-site flexibility leads to catalytic behavior previously predicted by quantum tunneling theory. Modification of the size of two hydrophobic residues by site-specific mutagenesis in SLO reduces the reaction rate 10(4)-fold and is accompanied by an enormous and unprecedented room-temperature KIE. Fitting of the kinetic data to a non-adiabatic model implicates an expansion of the active site that cannot be compensated by donor-acceptor distance sampling. A 1.7 Å resolution X-ray structure of the double mutant further indicates an unaltered backbone conformation, almost identical side-chain conformations, and a significantly enlarged active-site cavity. These findings show the compelling property of room-temperature hydrogen tunneling within a biological context and demonstrate the very high sensitivity of such tunneling to barrier width.

Double bonds? Studies on the barrier to rotation about the cumulenic C=C bonds of tetraaryl[n]cumulenes (n = 3, 5, 7, 9).

PubMed

Buehringer, Martina U; Padberg, Kevin; Phleps, Martin; Maid, Harald; Placht, Christian; Neiss, Christian; Ferguson, Michael; Goerling, Andreas; Tykwinski, Rik R

2018-03-31

Bonding is the fundamental aspect of organic chemistry, yet the magnitude of C=C bonding in [n]cumulenes as a function of increasing chain length has yet to be experimentally verified for derivatives longer than n = 5. The synthesis of a series of apolar and unsymmetrically substituted tetraaryl[n]cumulenes (n = 3, 5, 7, 9) has been developed and rotational barriers for Z-/E-isomerization have been measured using dynamic VT-NMR spectroscopy. Both experiment and theory confirm a dramatic reduction of the rotational barrier (through estimation of G≠rot for the isomerization) from >24 to 19 to 15 to 11 kcal-1 in [n]cumulenes with n = 3, 5, 7, 9, respectively. Thus, the reduction of cumulenic bonding in longer cumulenes affords bond rotational barriers that are more characteristic of a sterically hindered single bond than that of a double bond. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A qualitative study on healthcare professionals’ perceived barriers to insulin initiation in a multi-ethnic population

PubMed Central

2012-01-01

Background Nationwide surveys have shown that the prevalence of diabetes rates in Malaysia have almost doubled in the past ten years; yet diabetes control remains poor and insulin therapy is underutilized. This study aimed to explore healthcare professionals’ views on barriers to starting insulin therapy in people with type 2 diabetes. Methods Healthcare professionals consisting of general practitioners (n = 11), family medicine specialists (n = 10), medical officers (n = 8), government policy makers (n = 4), diabetes educators (n = 3) and endocrinologists (n = 2) were interviewed. A semi-structured topic guide was used to guide the interviews by trained facilitators. The interviews were transcribed verbatim and analysed using a thematic analysis approach. Results Insulin initiation was found to be affected by patient, healthcare professional and system factors. Patients’ barriers include culture-specific barriers such as the religious purity of insulin, preferred use of complementary medication and perceived lethality of insulin therapy. Healthcare professionals’ barriers include negative attitudes towards insulin therapy and the ‘legacy effect’ of old insulin guidelines; whilst system barriers highlight the lack of resources, language and communication challenges. Conclusions Tackling the issue of insulin initiation should not only happen during clinical consultations. It requires health education to emphasise the progressive nature of diabetes and the eventuality of insulin therapy at early stage of the illness. Healthcare professionals should be trained how to initiate insulin and communicate effectively with patients from various cultural and religious backgrounds. PMID:22469132

Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

NASA Astrophysics Data System (ADS)

Zhong, Chun-Lai; Fan, Tie-Shuan

2014-09-01

Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

Negative influence of pKa on activation energy barrier: A case study for double proton transfer reaction in inorganic acid dimers.

PubMed

Parida, Rakesh; Giri, Santanab

2018-06-15

Strength of acid can be determined by means of pK a value. Attempts have been made to find a relationship between pK a and activation energy barrier for a double proton transfer (DPT) reaction in inorganic acid dimers. Negative influence of pK a is observed on activation energy (E a ) which is contrary to the general convention of pK a . Four different levels of theories with two different basis sets have been used to calculate the activation energy barrier of the DPT reaction in inorganic acid dimers. A model based on first and second order polynomial has been created to find the relationship between activation energy for DPT reaction. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

A hybrid electro-optic polymer and TiO2 double-slot waveguide modulator

PubMed Central

Qiu, Feng; Spring, Andrew M.; Maeda, Daisuke; Ozawa, Masa-aki; Odoi, Keisuke; Otomo, Akira; Aoki, Isao; Yokoyama, Shiyoshi

2015-01-01

An electro-optic (EO) modulator using a TiO2 slot hybrid waveguide has been designed and fabricated. Optical mode calculations revealed that the mode was primarily confined within the slots when using a double-slot configuration, thus achieving a high EO activity experimentally. The TiO2 slots also acted as an important barrier to induce an enhanced DC field during the poling of the EO polymer and the driving of the EO modulator. The hybrid phase modulator exhibited a driving voltage (Vπ) of 1.6 V at 1550 nm, which can be further reduced to 0.8 V in a 1 cm-long push-pull Mach–Zehnder interferometer (MZI) structure. The modulator demonstrated a low propagation loss of 5 dB/cm and a relatively high end-fire coupling efficiency. PMID:25708425

Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2

NASA Technical Reports Server (NTRS)

Lynch, Gillian C.; Steckler, Rozeanne; Varandas, Antonio J. C.; Truhlar, Donald G.; Schwenke, David W.

1991-01-01

New ab initio results and a double many-body expansion formalism have been used to parameterize a new FH2 potential energy surface with improved properties near the saddle point and in the region of long-range attraction. The functional form of the new surface includes dispersion forces by a double many-body expansion. Stationary point properties for the new surface are calculated along with the product-valley barrier maxima of vibrationally adiabatic potential curves for F + H2 - HF(nu-prime = 3) + H, F + HD - HF(nu-prime = 3) + D, and F + D2 - DF(nu-prime = 4) + D. The new surface should prove useful for studying the effect on dynamics of a low, early barrier with a wide, flat bend potential.

Toward reliable modeling of S-nitrosothiol chemistry: Structure and properties of methyl thionitrite (CH3SNO), an S-nitrosocysteine model

NASA Astrophysics Data System (ADS)

Khomyakov, Dmitry G.; Timerghazin, Qadir K.

2017-07-01

Methyl thionitrite CH3SNO is an important model of S-nitrosated cysteine aminoacid residue (CysNO), a ubiquitous biological S-nitrosothiol (RSNO) involved in numerous physiological processes. As such, CH3SNO can provide insights into the intrinsic properties of the —SNO group in CysNO, in particular, its weak and labile S—N bond. Here, we report an ab initio computational investigation of the structure and properties of CH3SNO using a composite Feller-Peterson-Dixon scheme based on the explicitly correlated coupled cluster with single, double, and perturbative triple excitations calculations extrapolated to the complete basis set limit, CCSD(T)-F12/CBS, with a number of additive corrections for the effects of quadruple excitations, core-valence correlation, scalar-relativistic and spin-orbit effects, as well as harmonic zero-point vibrational energy with an anharmonicity correction. These calculations suggest that the S—N bond in CH3SNO is significantly elongated (1.814 Å) and has low stretching frequency and dissociation energy values, νS—N = 387 cm-1 and D0 = 32.4 kcal/mol. At the same time, the S—N bond has a sizable rotation barrier, △E0≠ = 12.7 kcal/mol, so CH3SNO exists as a cis- or trans-conformer, the latter slightly higher in energy, △E0 = 1.2 kcal/mol. The S—N bond properties are consistent with the antagonistic nature of CH3SNO, whose resonance representation requires two chemically opposite (antagonistic) resonance structures, CH3—S+=N—O- and CH3—S-/NO+, which can be probed using external electric fields and quantified using the natural resonance theory approach (NRT). The calculated S—N bond properties slowly converge with the level of correlation treatment, with the recently developed distinguished cluster with single and double excitations approximation (DCSD-F12) performing significantly better than the coupled cluster with single and double excitations (CCSD-F12), although still inferior to the CCSD(T)-F12 method that includes perturbative triple excitations. Double-hybrid density functional theory (DFT) calculations with mPW2PLYPD/def2-TZVPPD reproduce well the geometry, vibrational frequencies, and the S—N bond rotational barrier in CH3SNO, while hybrid DFT calculations with PBE0/def2-TZVPPD give a better S—N bond dissociation energy.

A combined intervention to reduce interruptions during medication preparation and double-checking: a pilot-study evaluating the impact of staff training and safety vests.

PubMed

Huckels-Baumgart, Saskia; Niederberger, Milena; Manser, Tanja; Meier, Christoph R; Meyer-Massetti, Carla

2017-10-01

The aim was to evaluate the impact of staff training and wearing safety vests as a combined intervention on interruptions during medication preparation and double-checking. Interruptions and errors during the medication process are common and an important issue for patient safety in the hospital setting. We performed a pre- and post-intervention pilot-study using direct structured observation of 26 nurses preparing and double-checking 431 medication doses (225 pre-intervention and 206 post-intervention) for 36 patients (21 pre-intervention and 15 post-intervention). With staff training and the introduction of safety vests, the interruption rate during medication preparation was reduced from 36.8 to 28.3 interruptions per hour and during double-checking from 27.5 to 15 interruptions per hour. This pilot-study showed that the frequency of interruptions decreased during the critical tasks of medication preparation and double-checking after the introduction of staff training and wearing safety vests as part of a quality improvement process. Nursing management should acknowledge interruptions as an important factor potentially influencing medication safety. Unnecessary interruptions can be successfully reduced by considering human and system factors and increasing both staff and nursing managers' awareness of 'interruptive communication practices' and implementing physical barriers. This is the first pilot-study specifically evaluating the impact of staff training and wearing safety vests on the reduction of interruptions during medication preparation and double-checking. © 2017 John Wiley & Sons Ltd.

A new, double-inversion mechanism of the F- + CH3Cl SN2 reaction in aqueous solution.

PubMed

Liu, Peng; Wang, Dunyou; Xu, Yulong

2016-11-23

Atomic-level, bimolecular nucleophilic substitution reaction mechanisms have been studied mostly in the gas phase, but the gas-phase results cannot be expected to reliably describe condensed-phase chemistry. As a novel, double-inversion mechanism has just been found for the F - + CH 3 Cl S N 2 reaction in the gas phase [Nat. Commun., 2015, 6, 5972], here, using multi-level quantum mechanics methods combined with the molecular mechanics method, we discovered a new, double-inversion mechanism for this reaction in aqueous solution. However, the structures of the stationary points along the reaction path show significant differences from those in the gas phase due to the strong influence of solvent and solute interactions, especially due to the hydrogen bonds formed between the solute and the solvent. More importantly, the relationship between the two double-inversion transition states is not clear in the gas phase, but, here we revealed a novel intermediate complex serving as a "connecting link" between the two transition states of the abstraction-induced inversion and the Walden-inversion mechanisms. A detailed reaction path was constructed to show the atomic-level evolution of this novel double reaction mechanism in aqueous solution. The potentials of mean force were calculated and the obtained Walden-inversion barrier height agrees well with the available experimental value.

Maple prepared organic heterostructures for photovoltaic applications

NASA Astrophysics Data System (ADS)

Stanculescu, A.; Socol, M.; Socol, G.; Mihailescu, I. N.; Girtan, M.; Stanculescu, F.

2011-09-01

In this study, we present the deposition of ZnPc, Alq3, and PTCDA thin films using Matrix Assisted Pulsed Laser Evaporation (MAPLE) technique. We also report the realisation of multilayer structures, made by the successive application of MAPLE. The films have been characterized by spectroscopic (UV-VIS and Photoluminescence) and microscopic (SEM and AFM) methods, and the effect of different deposition conditions such as fluence, number of pulses, and target concentration on the properties has been analysed. This paper also presents some investigations on the electrical conduction in sandwich type structures ITO or Si/organic layer/Au or Cu and ITO/double organic layer/Cu, emphasising the dominant effect of the height of the energetic barriers at the inorganic/organic and organic/organic interfaces.

Double-Layer Gadolinium Zirconate/Yttria-Stabilized Zirconia Thermal Barrier Coatings Deposited by the Solution Precursor Plasma Spray Process

NASA Astrophysics Data System (ADS)

Jiang, Chen; Jordan, Eric H.; Harris, Alan B.; Gell, Maurice; Roth, Jeffrey

2015-08-01

Advanced thermal barrier coatings (TBCs) with lower thermal conductivity, increased resistance to calcium-magnesium-aluminosilicate (CMAS), and improved high-temperature capability, compared to traditional yttria-stabilized zirconia (YSZ) TBCs, are essential to higher efficiency in next generation gas turbine engines. Double-layer rare-earth zirconate/YSZ TBCs are a promising solution. From a processing perspective, solution precursor plasma spray (SPPS) process with its unique and beneficial microstructural features can be an effective approach to obtaining the double-layer microstructure. Previously durable low-thermal-conductivity YSZ TBCs with optimized layered porosity, called the inter-pass boundaries (IPBs) were produced using the SPPS process. In this study, an SPPS gadolinium zirconate (GZO) protective surface layer was successfully added. These SPPS double-layer TBCs not only retained good cyclic durability and low thermal conductivity, but also demonstrated favorable phase stability and increased surface temperature capabilities. The CMAS resistance was evaluated with both accumulative and single applications of simulated CMAS in isothermal furnaces. The double-layer YSZ/GZO exhibited dramatic improvement in the single application, but not in the continuous one. In addition, to explore their potential application in integrated gasification combined cycle environments, double-layer TBCs were tested under high-temperature humidity and encouraging performance was recorded.

Analysis of the vibronic structure of the trans-stilbene fluorescence and excitation spectra: the S0 and S1 PES along the Ce[double bond, length as m-dash]Ce and Ce-Cph torsions.

PubMed

Orlandi, Giorgio; Garavelli, Marco; Zerbetto, Francesco

2017-09-20

We analyze the highly resolved vibronic structure of the low energy (≤200 cm -1 ) region of the fluorescence and fluorescence excitation spectra of trans-stilbene in supersonic beams. In this spectral region the vibronic structure is associated mainly with vibrational levels of the C e -C e torsion (τ) and the a u combination of the two C e -C ph bond twisting (ϕ). We base this analysis on the well-established S 0 (τ, ϕ) two-dimensional potential energy surface (PES) and on a newly refined S 1 (τ, ϕ) PES. We obtain vibrational eigenvalues and eigenvectors of the anharmonic S 0 (τ, ϕ) and S 1 (τ, ϕ) PES using a numerical procedure based on the Meyer's flexible model [R. Meyer, J. Mol. Spectrosc., 1979, 76, 266]. Then we derive Franck-Condon factors and therefore intensities of the relevant vibronic bands for the S 0 → S 1 excitation and S 1 → S 0 fluorescence spectra. Furthermore, we assess the role of the b g combination of the two C e -C ph bond twisting (ν 48 ) in the structure of the S 1 → S 0 fluorescence spectra. By the use of these results we are able to assign most of the low energy vibrational levels of the S 0 → S 1 excitation spectra and of the fluorescence spectra of the emission from several low energy S 1 vibronic levels. The good agreement between the observed and the computed vibrational structure of the S 0 → S 1 and S 1 → S 0 spectra suggests that the proposed picture of the E 1 (τ, ϕ) and E 0 (τ, ϕ) PES, in particular along the coordinate τ governing trans-cis photo-isomerization in S 1 , is accurate. In S 0 , the barriers for the C e [double bond, length as m-dash]C e torsion and for the a u type C e -C ph bond twisting are 16 080 cm -1 and 3125 cm -1 , respectively, while in S 1 , where the bond orders of the C e [double bond, length as m-dash]C e and C e -C ph bonds are reversed, the two barriers become 1350 cm -1 and 8780 cm -1 , respectively.

Strategies for Overcoming Obstacles in AIDS Education for Preteens.

ERIC Educational Resources Information Center

Rodrick-Athans, Linda; Bhavnagri, Navaz Peshotan

1997-01-01

Points out that every four months the number of reported AIDS cases among adolescents doubles. Describes and evaluates a comprehensive AIDS prevention education program for preteens. Identifies adolescent attitudes as barriers to effective AIDS education. Presents strategies to break down barriers and promote acceptance of AIDS education,…

The multi-faceted role of allergen exposure to the local airway mucosa.

PubMed

Golebski, K; Röschmann, K I L; Toppila-Salmi, S; Hammad, H; Lambrecht, B N; Renkonen, R; Fokkens, W J; van Drunen, C M

2013-02-01

Airway epithelial cells are the first to encounter aeroallergens and therefore have recently become an interesting target of many studies investigating their involvement in the modulation of allergic inflammatory responses. Disruption of a passive structural barrier composed of epithelial cells by intrinsic proteolytic activity of allergens may facilitate allergen penetration into local tissues and additionally affect chronic and ongoing inflammatory processes in respiratory tissues. Furthermore, the ability of rhinoviruses to disrupt and interfere with epithelial tight junctions may alter the barrier integrity and enable a passive passage of inhaled allergens through the airway epithelium. On the other hand, epithelial cells are no longer considered to act only as a physical barrier toward inhaled allergens, but also to actively contribute to airway inflammation by detecting and responding to environmental factors. Epithelial cells can produce mediators, which may affect the recruitment and activation of more specialized immune cells to the local tissue and also create a microenvironment in which these activated immune cells may function and propagate the inflammatory processes. This review presents the dual role of epithelium acting as a passive and active barrier when encountering an inhaled allergen and how this double role contributes to the start of local immune responses. © 2012 John Wiley & Sons A/S. Published by Blackwell Publishing Ltd.

Living Doubled-Up: Influence of Residential Environment on Educational Participation

ERIC Educational Resources Information Center

Hallett, Ronald E.

2012-01-01

Homeless youth face many barriers that limit success in the educational process. Subgroups of homeless youth frequently experience the educational process differently depending upon their residential context. Recent years witness the federal government's expanding the definition of homelessness to include youth living doubled-up. This residential…

Spatial nonuniformity of current flow and its consideration in determination of characteristics of surface illuminated InAsSbP/InAs-based photodiodes

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

Zotova, N. V.; Karandashev, S. A.; Matveev, B. A., E-mail: Bmat@iropt3.ioffe.ru

Current-voltage characteristics of surface-irradiated photodiodes based on the InAsSbP/InAs structures are analyzed using experimental data on the distribution of electroluminescence intensity over the diode surface and taking into account thickening the current streamlines near the contacts. The influence of the potential barrier associated with the N-InAsSbP/n-InAs junction in double heterostructures on the differential resistance of diodes under zero bias, the value of the reverse current, and spreading of the forward current is discussed.

Superstructures and Electronic Properties of Manganese-Phthalocyanine Molecules on Au(110) from Submonolayer Coverage to Ultrathin Molecular Films.

PubMed

Topyła, M; Néel, N; Kröger, J

2016-07-12

The adsorption of manganese-phthalocyanine molecules on Au(110) was investigated using a low-temperature scanning tunneling microscope. A rich variety of commensurate superstructures was observed upon increasing the molecule coverage from submonolayers to ultrathin films. All structures were associated with reconstructions of the Au(110) substrate. Molecules adsorbed in the second molecular layer exhibited negative differential conductance occurring symmetrically around zero bias voltage. A double-barrier tunneling model rationalized this observation in terms of a peaked molecular resonance at the Fermi energy together with a voltage drop across the molecular film.

Developing effective rockfall protection barriers for low energy impacts

NASA Astrophysics Data System (ADS)

Mentani, Alessio; Giacomini, Anna; Buzzi, Olivier; Govoni, Laura; Gottardi, Guido; Fityus, Stephen

2016-04-01

Recently, important progresses have been made towards the development of high capacity rockfall barriers (100 kJ - 8000 kJ). The interest of researchers and practitioners is now turning to the development of fences of minor capacity, whose use becomes essential in areas where rockfall events generally have low intensity and the use of high capacity barriers would be accompanied by excessive costs and high environmental impact. Low energy barriers can also provide a cost-effective solution even in areas where high energies events are expected. Results of full-scale tests are vital to any investigation on the behaviour of these structures. An experimental set-up has been developed at The University of Newcastle (AUS), to investigate the response of low energy rockfall barrier prototypes to low energy impacts. The Australian territory, and in particular New South Wales, is in fact characterised by rockfall events of low-to-medium intensity (50 kJ - 500 kJ) and the need of protection structures working within such energy range, is particularly felt [1]. The experiments involved the impact of a test block onto three spans, low energy barrier prototypes, made of steel structural posts, fully fixed at the base, side cables and a steel meshwork constituted by a double twist hexagonal wire net [2]. Test data enabled the development, calibration and assessment of FE models [3], on which non-linear and dynamic analyses have been performed addressing the effect of the block size. Results have shown that the response of the structure is strongly governed by the net. Data from tests conducted on the sole net and on the entire barrier showed in fact a similar trend, different to what typically observed for high capacity barriers, whose behaviour is also led by the presence of uphill cables and brakes. In particular, the numerical analyses have demonstrated a dependence of the net performance on the block size. In particular, a loss of capacity in the order of 50% occurred as the block size dropped from 1000 to 450 mm, with a realistic velocity observed to get the perforation of the net. The results of the study provide an important insight on the behaviour of low energy barriers. Data also shed an important light on the testing procedures which should be followed when full-scale experiments are performed on these structures, highlighting the need of considering the whole spectrum of potential block sizes. References [1] Spadari M, Kardani M, De Carteret R, Giacomini A, Buzzi O, Fityus S, Sloan S W (2013) Statistical evaluation of rockfall energy ranges for different geological settings of New South Wales, Australia. Eng Geol 158:57-65. [2] Thoeni K, Lambert C, Giacomini A, Sloan S W (2013) Discrete modelling of hexagonal wire meshes with a stochastically distorted contact model. Comp Geotech 49: 158-169. [3] Mentani A, Giacomini A, Buzzi O, Govoni L, Gottardi G, Fityus S (2015) Numerical Modelling of a Low-Energy Rockfall Barrier: New Insight into the Bullet Effect, Rock Mech Rock Eng, DOI10.1007/s00603-015-0803-1

Quiescent double barrier regime in the DIII-D tokamak.

PubMed

Greenfield, C M; Burrell, K H; DeBoo, J C; Doyle, E J; Stallard, B W; Synakowski, E J; Fenzi, C; Gohil, P; Groebner, R J; Lao, L L; Makowski, M A; McKee, G R; Moyer, R A; Rettig, C L; Rhodes, T L; Pinsker, R I; Staebler, G M; West, W P

2001-05-14

A new sustained high-performance regime, combining discrete edge and core transport barriers, has been discovered in the DIII-D tokamak. Edge localized modes (ELMs) are replaced by a steady oscillation that increases edge particle transport, thereby allowing particle control with no ELM-induced pulsed divertor heat load. The core barrier resembles those usually seen with a low (L) mode edge, without the degradation often associated with ELMs. The barriers are separated by a narrow region of high transport associated with a zero crossing in the E x B shearing rate.

Comparisons of Force Measurement Methods for DBD Plasma Actuators in Quiescent Air

NASA Technical Reports Server (NTRS)

Hoskinson, Alan R.; Hershkowitz, Noah; Ashpis, David E.

2009-01-01

We have performed measurements of the force induced by both single (one electrode insulated) and double (both electrodes insulated) dielectric barrier discharge plasma actuators in quiescent air. We have shown that, for single barrier actuators with cylindrical exposed electrodes, as the electrode diameter decrease the force efficiencies increase much faster than a previously reported linear trend. This behavior has been experimentally verified using two different measurement techniques: stagnation probe measurements of the induced flow velocity and direct measurement of the force using an electronic balance. Actuators with rectangular cross-section exposed electrodes do not show the same rapid increase at small thicknesses. We have also shown that the induced force is independent of the material used for the exposed electrode. The same techniques have shown that the induced force of a double barrier actuator increases with decreasing narrow electrode diameter.

The fast-folding HP35 double mutant has a substantially reduced primary folding free energy barrier

NASA Astrophysics Data System (ADS)

Lei, Hongxing; Deng, Xiaojian; Wang, Zhixiang; Duan, Yong

2008-10-01

The LYS24/29NLE double mutant of villin headpiece subdomain (HP35) is the fastest folding protein known so far with a folding time constant of 0.6μs. In this work, the folding mechanism of the mutant has been investigated by both conventional and replica exchange molecular dynamics (CMD and REMD) simulations with AMBER FF03 force field and a generalized-Born solvation model. Direct comparison to the ab initio folding of the wild type HP35 enabled a close examination on the mutational effect on the folding process. The mutant folded to the native state, as demonstrated by the 0.50Å Cα-root mean square deviation (RMSD) sampled in both CMD and REMD simulations and the high population of the folded conformation compared with the denatured conformations. Consistent with experiments, the significantly reduced primary folding free energy barrier makes the mutant closer to a downhill folder than the wild type HP35 that directly leads to the faster transition and higher melting temperature. However, unlike the proposed downhill folding which envisages a smooth shift between unfolded and folded states without transition barrier, we observed a well-defined folding transition that was consistent with experiments. Further examination of the secondary structures revealed that the two mutated residues have higher intrinsic helical preference that facilitated the formation of both helix III and the intermediate state which contains the folded segment helix II/III. Other factors contributing to the faster folding include the more favorable electrostatic interactions in the transition state with the removal of the charged NH3+ groups from LYS. In addition, both transition state ensemble and denatured state ensemble are shifted in the mutant.

Modeling the oxidation of ebselen and other organoselenium compounds using explicit solvent networks.

PubMed

Bayse, Craig A; Antony, Sonia

2009-05-14

The oxidation of dimethylselenide, dimethyldiselenide, S-methylselenenyl-methylmercaptan, and truncated and full models of ebselen (N-phenyl-1,2-benzisoselenazol-3(2H)-one) by methyl hydrogen peroxide has been modeled using density functional theory (DFT) and solvent-assisted proton exchange (SAPE), a method of microsolvation that employs explicit solvent networks to facilitate proton transfer reactions. The calculated activation barriers for these systems were substantially lower in energy (DeltaG(double dagger) + DeltaG(solv) = 13 to 26 kcal/mol) than models that neglect the participation of solvent in proton exchange. The comparison of two- and three-water SAPE networks showed a reduction in the strain in the model system but without a substantial reduction in the activation barriers. Truncating the ebselen model to N-methylisoselenazol-3(2H)-one gave a larger activation barrier than ebselen or N-methyl-1,2-benzisoselenazol-3(2H)-one but provided an efficient means of determining an initial guess for larger transition-state models. The similar barriers obtained for ebselen and Me(2)Se(2) (DeltaG(double dagger) + DeltaG(solv) = 20.65 and 20.40 kcal/mol, respectively) were consistent with experimentally determined rate constants. The activation barrier for MeSeSMe (DeltaG(double dagger) + DeltaG(solv) = 21.25 kcal/mol) was similar to that of ebselen and Me(2)Se(2) despite its significantly lower experimental rate for oxidation of an ebselen selenenyl sulfide by hydrogen peroxide relative to ebselen and ebselen diselenide. The disparity is attributed to intramolecular Se-O interactions, which decrease the nucleophilicity of the selenium center of the selenenyl sulfide.

Black Women: Double Solos in the Workplace.

ERIC Educational Resources Information Center

Fontaine, Deborah C.; Greenlee, Shelia P.

1993-01-01

Studies 12 black women in solo status positions in academia. Solo status is being the only member, or one of a small number, of a sex or racial group or both, in the workplace. As double solos, these women felt they had to outperform majority group counterparts. Common perceptions of barriers and facilitators are discussed. (SLD)

In Situ Clay Formation: Evaluation of a Proposed New Technology for Stable Containment Barriers

DTIC Science & Technology

2004-03-01

situ layered double hydroxide precipitation........... 23 4.2.1 Solution preparation and column mixing...22 Table 4.2 Summary of in situ precipitation of layered double hydroxide (LDH...effect on permeability for the smallest volume precipitated is sheet silicates or layered -clay phases (hereafter called “clays”). In natural

Investigation of airflow effects on the dielectric barrier discharge with single/double discharge channel arrangement

NASA Astrophysics Data System (ADS)

Fan, Zhihui; Yan, Huijie; Liu, Yidi; Guo, Hongfei; Wang, Yuying; Ren, Chunsheng

2018-05-01

Atmospheric-pressure dielectric barrier discharge (DBD) with airflow participation has been widely used in recent years. In this paper, effects of airflow on DBD characteristics are experimentally investigated by single/double pin-to-plate DBD arrangements with an AC exciting source. The discharge electrical characteristics and the movements of discharge channels in airflow are investigated with a single pin electrode arrangement. The current intensities increase in positive cycles and decrease in negative cycles with the increase in airflow velocity. The transition from a filamentary discharge to a diffuse discharge is observed under certain airflow conditions, and the discharge channels move with the airflow with a movement velocity less than the corresponding airflow velocity. In the cases of double pin electrode arrangements, the repulsion between double pin discharge channels is apparent at a 10 mm distance but is not obvious at a 20 mm distance. When the airflow is introduced into the discharge gap, not as in the case of single pin electrode arrangement, the movements of discharge channels in airflow are affected by adjacent discharge channels. The corresponding reasons are analyzed in the paper.

Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F- + CH3I reaction in aqueous solution.

PubMed

Liu, Peng; Zhang, Jingxue; Wang, Dunyou

2017-06-07

A double-inversion mechanism of the F - + CH 3 I reaction was discovered in aqueous solution using combined multi-level quantum mechanics theories and molecular mechanics. The stationary points along the reaction path show very different structures to the ones in the gas phase due to the interactions between the solvent and solute, especially strong hydrogen bonds. An intermediate complex, a minimum on the potential of mean force, was found to serve as a connecting-link between the abstraction-induced inversion transition state and the Walden-inversion transition state. The potentials of mean force were calculated with both the DFT/MM and CCSD(T)/MM levels of theory. Our calculated free energy barrier of the abstraction-induced inversion is 69.5 kcal mol -1 at the CCSD(T)/MM level of theory, which agrees with the one at 72.9 kcal mol -1 calculated using the Born solvation model and gas-phase data; and our calculated free energy barrier of the Walden inversion is 24.2 kcal mol -1 , which agrees very well with the experimental value at 25.2 kcal mol -1 in aqueous solution. The calculations show that the aqueous solution makes significant contributions to the potentials of mean force and exerts a big impact on the molecular-level evolution along the reaction pathway.

Barrier height inhomogeneity in electrical transport characteristics of InGaN/GaN heterostructure interfaces

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

Roul, Basanta; Central Research Laboratory, Bharat Electronics, Bangalore 560013; Mukundan, Shruti

2015-03-15

We have grown InGaN/GaN heterostructures using plasma-assisted molecular beam epitaxy and studied the temperature dependent electrical transport characteristics. The barrier height (φ{sub b}) and the ideally factor (η) estimated using thermionic emission model were found to be temperature dependent. The conventional Richardson plot of ln(J{sub s}/T{sup 2}) versus 1/kT showed two temperature regions (region-I: 400–500 K and region-II: 200–350 K) and it provides Richardson constants (A{sup ∗}) which are much lower than the theoretical value of GaN. The observed variation in the barrier height and the presence of two temperature regions were attributed to spatial barrier inhomogeneities at the heterojunctionmore » interface and was explained by assuming a double Gaussian distribution of barrier heights with mean barrier height values 1.61 and 1.21 eV with standard deviation (σ{sub s}{sup 2}) of 0.044 and 0.022 V, respectively. The modified Richardson plot of ln(J{sub s}/T{sup 2}) − (q{sup 2}σ{sub s}{sup 2}/2k{sup 2}T{sup 2}) versus 1/kT for two temperature regions gave mean barrier height values as 1.61 eV and 1.22 eV with Richardson constants (A{sup ∗}) values 25.5 Acm{sup −2}K{sup −2} and 43.9 Acm{sup −2}K{sup −2}, respectively, which are very close to the theoretical value. The observed barrier height inhomogeneities were interpreted on the basis of the existence of a double Gaussian distribution of barrier heights at the interface.« less

Implementing clinical governance in Isfahan hospitals: Barriers and solutions, 2014.

PubMed

Ferdosi, Masoud; Ziyari, Farhad Bahman; Ollahi, Mehran Nemat; Salmani, Amaneh Rahim; Niknam, Noureddin

2016-01-01

In the new approach, all health care providers have been obligated to maintain and improve the quality and have been accountable for it. One of the ways is the implementation of clinical governance (CG). More accurate understanding of its challenges can help to improve its performance. In this study, barriers of CG implementation are investigated from the perspective of the hospitals involved. Besides, some solutions are suggested based on stakeholders' opinions. This study used combined method (qualitative content analysis and questionnaire) in hospitals affiliated to Isfahan University of Medical Sciences in 2014. First, experts, and stakeholders talked about CG implementation obstacles in a semi-structured interview. Interviews were confirmed by the interviewee (double check). After analyzing the interviews using reduction coding the questionnaire was drawn up. The questionnaire "validity was confirmed by Cronbach's alpha (0/891)" and its reliability was obtained using experts confirmation. Data analyzing was performed using SPSS (18) software. According to results staffing and management factors were the main obstacles. After them, were factors related to organizational culture, infrastructure elements, information, sociocultural and then process factors. The learning barriers were in final rank. Thirty-four solutions was proposed by experts and divided into subset of eight major barriers. Most solutions were offered on modifying processes and minimal solutions about modifying of organizational culture, sociocultural, and educational factors. Removing the obstacles, especially management and human resource factors can be effective by facilitating and accelerating CG. Furthermore, use of experts and stakeholders opinions can help to remove CG barriers.

DNA repair goes hip-hop: SMARCA and CHD chromatin remodellers join the break dance.

PubMed

Rother, Magdalena B; van Attikum, Haico

2017-10-05

Proper signalling and repair of DNA double-strand breaks (DSB) is critical to prevent genome instability and diseases such as cancer. The packaging of DNA into chromatin, however, has evolved as a mere obstacle to these DSB responses. Posttranslational modifications and ATP-dependent chromatin remodelling help to overcome this barrier by modulating nucleosome structures and allow signalling and repair machineries access to DSBs in chromatin. Here we recap our current knowledge on how ATP-dependent SMARCA- and CHD-type chromatin remodellers alter chromatin structure during the signalling and repair of DSBs and discuss how their dysfunction impacts genome stability and human disease.This article is part of the themed issue 'Chromatin modifiers and remodellers in DNA repair and signalling'. © 2017 The Authors.

Controlling sound radiation through an opening with secondary loudspeakers along its boundaries.

PubMed

Wang, Shuping; Tao, Jiancheng; Qiu, Xiaojun

2017-10-17

We propose a virtual sound barrier system that blocks sound transmission through openings without affecting access, light and air circulation. The proposed system applies active control technique to cancel sound transmission with a double layered loudspeaker array at the edge of the opening. Unlike traditional transparent glass windows, recently invented double-glazed ventilation windows and planar active sound barriers or any other metamaterials designed to reduce sound transmission, secondary loudspeakers are put only along the boundaries of the opening, which provides the possibility to make it invisible. Simulation and experimental results demonstrate its feasibility for broadband sound control, especially for low frequency sound which is usually hard to attenuate with existing methods.

MoRe-based tunnel junctions and their characteristics

NASA Astrophysics Data System (ADS)

Shaternik, V.; Larkin, S.; Noskov, V.; Chubatyy, V.; Sizontov, V.; Miroshnikov, A.; Karmazin, A.

2008-02-01

Perspective Josephson Mo-Re alloy-oxide-Pb, Mo-Re alloy-normal metal-oxide-Pb and Mo-Re alloy-normal metal-oxide-normal metal-Mo-Re alloy junctions have been fabricated and investigated. Thin (~50-100 nm) MoRe superconducting films are deposited on Al2O3 substrates by using a dc magnetron sputtering of MoRe target. Normal metal (Sn, Al) thin films are deposited on the MoRe films surfaces by thermal evaporation of metals in vacuum and oxidized to fabricate junctions oxide barriers. Quasiparticle I-V curves of the fabricated junctions were measured in wide range of voltages. To investigate a transparency spread for the fabricated junctions barriers the computer simulation of the measured quasiparticle I-V curves have been done in framework of the model of multiple Andreev reflections in double-barrier junction interfaces. It's demonstrated the investigated junctions can be described as highly asymmetric double-barrier Josephson junctions with great difference between the two barrier transparencies. The result of the comparison of experimental quasiparticle I-V curves and calculated ones is proposed and discussed. Also I-V curves of the fabricated junctions have been measured under microwave irradiation with 60 GHz frequency, clear Shapiro steps in the measured I-V curves were observed and discussed.

Electronic properties of core-shell nanowire resonant tunneling diodes

PubMed Central

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping. PMID:25288912

Electronic properties of core-shell nanowire resonant tunneling diodes.

PubMed

Zervos, Matthew

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping.

Digital-transport model study of Diisopropylmethylphosphonate (DIMP) ground-water contamination at the Rocky Mountain Arsenal, Colorado

USGS Publications Warehouse

Warner, James W.

1979-01-01

Diisopropylmethylphosphonate (DIMP) is an organic compound produced as a by-product of the manufacture and detoxification of GB nerve gas. Ground-water contamination by DIMP from the disposal of wastes into unlined surface ponds at the Rocky Mountain Arsenal occurred from 1952 to 1956. A digital-transport model was used to determine the effects on ground-water movement and on DIMP concentrations in the ground water of a bentonite barrier in the aquifer near the northern boundary of the arsenal. The transport model is based on an iterative-alternating-direction-implicit mathematical solution of the ground-water-flow equation coupled with a method-of-characteristics solution of the solute-transport equation. The model assumes conservative (nonreactive) transient transport of DIMP and steady-state ground-water flow. In the model simulations, a bentonite barrier was assumed that was impermeable and penetrated the entire saturated thickness of the aquifer. Ground water intercepted by the barrier was assumed to be pumped by wells located south (upgradient) of the barrier, to be treated to remove DIMP, and to be recharged by pits or wells to the aquifer north (downgradient) of the barrier. The amount of DIMP transported across the northern boundary of the arsenal was substantially reduced by a ground-water-barrier system of this type. For a 1,500-foot-long bentonite barrier located along the northern boundary of the arsenal near D Street, about 50 percent of the DIMP that would otherwise cross the boundary would be intercepted by the barrier. This barrier configuration and location were proposed by the U.S. Army. Of the ground water with DIMP concentrations greater than 500 micrograms per liter, the safe DIMP-concentration level determined by the U.S. Army, about 72 percent would be intercepted by the barrier system. The amount of DIMP underflow intercepted may be increased to 65 percent by doubling the pumpage, or to 73 percent by doubling the length of the barrier. (Kosco-USGS)

InAs based terahertz quantum cascade lasers

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

Brandstetter, Martin, E-mail: martin.brandstetter@tuwien.ac.at; Kainz, Martin A.; Krall, Michael

2016-01-04

We demonstrate terahertz lasing emission from a quantum cascade structure, realized with InAs/AlAs{sub 0.16}Sb{sub 0.84} heterostructures. Due to the lower effective electron mass, InAs based active regions are expected to provide a higher optical gain compared to structures consisting of GaAs or InGaAs. The growth by molecular beam epitaxy enabled the fabrication of monolayer-thick barriers, required for the active region, which is based on a 3-well resonant phonon depletion design. Devices were processed in a double-metal waveguide geometry to ensure high mode confinement and low optical losses. Lasing emission at 3.8 THz was observed at liquid helium temperatures by applyingmore » a magnetic field perpendicular to the layered structure in order to suppress parasitic scattering channels. These results demonstrate the feasibility of InAs based active regions for terahertz quantum cascade lasers, potentially enabling higher operating temperatures.« less

Effect of topically applied dexpanthenol on epidermal barrier function and stratum corneum hydration. Results of a human in vivo study.

PubMed

Gehring, W; Gloor, M

2000-07-01

In a randomized, double-blind, placebo-controlled study the effect of topical dexpanthenol (CAS 81-13-0) formulated in two different lipophilic vehicles on epidermal barrier function in vivo was carried out. Seven days' treatment with dexpanthenol improved stratum corneum hydration and reduced transepidermal water loss. Active treatment was statistically different from the vehicle control on both measures. Our results suggest that topical dexpanthenol formulated in either lipophilic vehicle stabilizes the skin barrier function.

Solvent Dependence of Double Proton Transfer in the Formic Acid-Formamidine Complex: Path Integral Molecular Dynamics Investigation.

PubMed

Kungwan, Nawee; Ngaojampa, Chanisorn; Ogata, Yudai; Kawatsu, Tsutomu; Oba, Yuki; Kawashima, Yukio; Tachikawa, Masanori

2017-10-05

Solvent dependence of double proton transfer in the formic acid-formamidine (FA-FN) complex at room temperature was investigated by means of ab initio path integral molecular dynamics (AIPIMD) simulation with taking nuclear quantum and thermal effects into account. The conductor-like screening model (COSMO) was applied for solvent effect. In comparison with gas phase, double proton delocalization between two heavy atoms (O and N) in FA-FN were observed with reduced proton transfer barrier height in low dielectric constant medium (<4.8). For dielectric constant medium at 4.8, the chance of finding these two protons are more pronounced due to the solvent effect which completely washes out the proton transfer barrier. In the case of higher dielectric constant medium (>4.8), the ionic species becomes more stable than the neutral ones and the formate anion and formamidium cation are thermodynamically stable. For ab initio molecular dynamics simulation, in low dielectric constant medium (<4.8) a reduction of proton transfer barrier with solvent effect is found to be less pronounced than the AIPIMD due to the absence of nuclear quantum effect. Moreover, the motions of FA-FN complex are significantly different with increasing dielectric constant medium. Such a difference is revealed in detail by the principal component analysis.

A refrigeration temperature of 4 degrees C does not prevent static growth of Yersinia pestis in heart infusion broth.

PubMed

Torosian, Stephen D; Regan, Patrick M; Doran, Tara; Taylor, Michael A; Margolin, Aaron

2009-09-01

Multiple barriers such as inspections, testing, and proper storage conditions are used to minimize the risk of contaminated food. Knowledge of which barriers, such as refrigeration, are effective in preventing pathogen growth and persistence, can help direct the focus of efforts during food sampling. In this study, the doubling times were evaluated for 10 strains of Yersinia pestis of different genetic background cultured in heart infusion broth (HIB) kept at 4 degrees C +/- 1 degrees C under static conditions. Nine out of the 10 strains were able to grow at 4 degrees C +/- 1 degrees C. Apparent doubling times for 7 of the strains ranged from 41 to 50 h. Strain Harbin and strain D1 had apparent doubling times of 65 and 35 h, respectively, and strain O19 Ca-6 did not grow at all. Analysis of variance showed that the averaged growth data (colony forming units per mL) between strains that grew were not significantly different. The data presented here demonstrate that refrigeration alone is not an effective barrier to prevent static growth of Y. pestis in HIB. These findings provide the preliminary impetus to investigate Y. pestis growth in a variety of food matrices that may provide a similar environment as HIB.

A novel radiation hard pixel design for space applications

NASA Astrophysics Data System (ADS)

Aurora, A. M.; Marochkin, V. V.; Tuuva, T.

2017-11-01

We have developed a novel radiation hard photon detector concept based on Modified Internal Gate Field Effect Transistor (MIGFET) wherein a buried Modified Internal Gate (MIG) is implanted underneath a channel of a FET. In between the MIG and the channel of the FET there is depleted semiconductor material forming a potential barrier between charges in the channel and similar type signal charges located in the MIG. The signal charges in the MIG have a measurable effect on the conductance of the channel. In this paper a radiation hard double MIGFET pixel is investigated comprising two MIGFETs. By transferring the signal charges between the two MIGs Non-Destructive Correlated Double Sampling Readout (NDCDSR) is enabled. The radiation hardness of the proposed double MIGFET structure stems from the fact that interface related issues can be considerably mitigated. The reason for this is, first of all, that interface generated dark noise can be completely avoided and secondly, that interface generated 1/f noise can be considerably reduced due to a deep buried channel readout configuration. Electrical parameters of the double MIGFET pixel have been evaluated by 3D TCAD simulation study. Simulation results show the absence of interface generated dark noise, significantly reduced interface generated 1/f noise, well performing NDCDSR operation, and blooming protection due to an inherent vertical anti-blooming structure. In addition, the backside illuminated thick fully depleted pixel design results in low crosstalk due to lack of diffusion and good quantum efficiency from visible to Near Infra-Red (NIR) light. These facts result in excellent Signal-to-Noise Ratio (SNR) and very low crosstalk enabling thus excellent image quality. The simulation demonstrates the charge to current conversion gain for source current read-out to be 1.4 nA/e.

Challenges and Opportunities in Scaling-Up Nutrition in Healthcare

PubMed Central

Darnton-Hill, Ian; Samman, Samir

2015-01-01

Healthcare continues to be in a state of flux; conventionally, this provides opportunities and challenges. The opportunities include technological breakthroughs, improved economies and increasing availability of healthcare. On the other hand, economic disparities are increasing and leading to differing accessibility to healthcare, including within affluent countries. Nutrition has received an increase in attention and resources in recent decades, a lot of it stimulated by the rise in obesity, type 2 diabetes mellitus and hypertension. An increase in ageing populations also has meant increased interest in nutrition-related chronic diseases. In many middle-income countries, there has been an increase in the double burden of malnutrition with undernourished children and overweight/obese parents and adolescents. In low-income countries, an increased evidence base has allowed scaling-up of interventions to address under-nutrition, both nutrition-specific and nutrition-sensitive interventions. Immediate barriers (institutional, structural and biological) and longer-term barriers (staffing shortages where most needed and environmental impacts on health) are discussed. Significant barriers remain for the near universal access to healthcare, especially for those who are socio-economically disadvantaged, geographically isolated, living in war zones or where environmental damage has taken place. However, these barriers are increasingly being recognized, and efforts are being made to address them. The paper aims to take a broad view that identifies and then comments on the many social, political and scientific factors affecting the achievement of improved nutrition through healthcare. PMID:27417744

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

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

Pristavu, G.; Brezeanu, G.; Badila, M.

2015-06-29

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures.more » The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.« less

Ammonia-water cation and ammonia dimer cation.

PubMed

Kim, Hahn; Lee, Han Myoung

2009-06-25

We have investigated the structure, interaction energy, electronic properties, and IR spectra of the ammonia-water cation (NH(3)H(2)O)(+) using density functional theory (DFT) and high-level ab initio theory. The ammonia-water cation has three minimum-energy structures of (a) H(2)NH(+)...OH(2), (b) H(3)N(+)...OH(2), and (c) H(3)NH(+)...OH. The lowest-energy structure is (a), followed by (c) and (b). The ammonia dimer cation has two minimum-energy structures [the lowest H(3)NH(+)...NH(2) structure and the second lowest (H(3)N...NH(3))(+) structure]. The minimum transition barrier for the interconversion between (a), (b), and (c) is approximately 6 kcal/mol. Most DFT calculations with various functionals, except a few cases, overstabilize the N...O and N...N binding, predicting different structures from Moller-Plesset second-order perturbation (MP2) theory and the most reliable complete basis set (CBS) limit of coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. Thus, the validity test of the DFT functionals for these ionized molecular systems would be of importance.

Barriers and facilitators to participation in work among Canadian women living with HIV/AIDS.

PubMed

Barkey, Valerie; Watanabe, Elisa; Solomon, Patty; Wilkins, Seanne

2009-10-01

The impact of human immunodeficiency virus/acquired immunodeficiency syndrome (HIV/AIDS) on the participation of women in paid/unpaid work is a little understood phenomenon. A research study exploring the lived experiences of Canadian women's engagement in paid/unpaid work and the barriers and facilitators mediating this phenomenon. Study design employed a phenomenological approach using data subanalysis of transcripts, double coded for agreement and to ensure saturation of themes. Analysis of the data revealed an overarching theme of engagement mediated by interacting forces with eight subthemes: active management, agency constrained by structure, the nature of supports, HIV/AIDS sequelae, work as a galvanizing force, the presence of children, the element of fear, and negotiation of self. Insights gained indicate a need for further education, resources, supports, and policy changes at the systems level. Occupational therapy is positioned to broaden the role of rehabilitation in the context of HIV/AIDS, episodic disability, and work participation.

Energy-filtered cold electron transport at room temperature.

PubMed

Bhadrachalam, Pradeep; Subramanian, Ramkumar; Ray, Vishva; Ma, Liang-Chieh; Wang, Weichao; Kim, Jiyoung; Cho, Kyeongjae; Koh, Seong Jin

2014-09-10

Fermi-Dirac electron thermal excitation is an intrinsic phenomenon that limits functionality of various electron systems. Efforts to manipulate electron thermal excitation have been successful when the entire system is cooled to cryogenic temperatures, typically <1 K. Here we show that electron thermal excitation can be effectively suppressed at room temperature, and energy-suppressed electrons, whose energy distribution corresponds to an effective electron temperature of ~45 K, can be transported throughout device components without external cooling. This is accomplished using a discrete level of a quantum well, which filters out thermally excited electrons and permits only energy-suppressed electrons to participate in electron transport. The quantum well (~2 nm of Cr2O3) is formed between source (Cr) and tunnelling barrier (SiO2) in a double-barrier-tunnelling-junction structure having a quantum dot as the central island. Cold electron transport is detected from extremely narrow differential conductance peaks in electron tunnelling through CdSe quantum dots, with full widths at half maximum of only ~15 mV at room temperature.

Fabrication and characterization of tensile In0.3Al0.7As barrier and compressive In0.7Ga0.3As channel pHEMTs having extremely low gate leakage for low-noise applications

NASA Astrophysics Data System (ADS)

Packeer, F.; Mohamad Isa, M.; Mat Jubadi, W.; Ian, K. W.; Missous, M.

2013-07-01

This study focuses on the area of the epitaxial design, fabrication and characterization of a 1 µm gate-length InP-based pseudomorphic high electron mobility transistor (pHEMT) using InGaAs-InAlAs material systems. The advanced epitaxial layer design incorporates a highly strained aluminum-rich Schottky contact barrier, an indium-rich channel and a double delta-doped structure, which significantly improves upon the conventional low-noise pHEMT which suffers from high gate current leakage and low breakdown voltage. The outstanding achievements of the new design approach are 99% less gate current leakage and a 73% increase in breakdown voltage, compared with the conventional design. Furthermore, no degradation in RF performance is observed in terms of the cut-off frequency in this new highly tensile strained design. The remarkable performance of this advanced pHEMT design facilitates the implementation of outstanding low-noise devices.

Self-consistent vertical transport calculations in AlxGa1-xN/GaN based resonant tunneling diode

NASA Astrophysics Data System (ADS)

Rached, A.; Bhouri, A.; Sakr, S.; Lazzari, J.-L.; Belmabrouk, H.

2016-03-01

The formation of two-dimensional electron gases (2DEGs) at AlxGa1-xN/GaN hexagonal double-barriers (DB) resonant tunneling diodes (RTD) is investigated by numerical self-consistent (SC) solutions of the coupled Schrödinger and Poisson equations. Spontaneous and piezoelectric effects across the material interfaces are rigorously taken into account. Conduction band profiles, band edges and corresponding envelope functions are calculated in the AlxGa1-xN/GaN structures and likened to those where no polarization effects are included. The combined effect of the polarization-induced bound charge and conduction band offsets between the hexagonal AlGaN and GaN results in the formation of 2DEGs on one side of the DB and a depletion region on the other side. Using the transfer matrix formalism, the vertical transport (J-V characteristics) in AlGaN/GaN RTDs is calculated with a fully SC calculation in the ballistic regime. Compared to standard calculations where the voltage drop along the structure is supposed to be linear, the SC method leads to strong quantitative changes in the J-V characteristics showing that the applied electric field varies significantly in the active region of the structure. The influences of the aluminum composition and the GaN(AlGaN) thickness layers on the evolution of the current characteristics are also self-consistently investigated and discussed. We show that the electrical characteristics are very sensitive to the potential barrier due to the interplay between the potential symmetry and the barrier height and width. More interestingly, we demonstrate that the figures of merit namely the peak-to-valley ratio (PVR) of GaN/AlGaN RTDs can be optimized by increasing the quantum well width.

Energy required to pinch a DNA plectoneme

NASA Astrophysics Data System (ADS)

Barde, Céline; Destainville, Nicolas; Manghi, Manoel

2018-03-01

DNA supercoiling plays an important role from a biological point of view. One of its consequences at the supramolecular level is the formation of DNA superhelices named plectonemes. Normally separated by a distance on the order of 10 nm, the two opposite double strands of a DNA plectoneme must be brought closer if a protein or protein complex implicated in genetic regulation is to be bound simultaneously to both strands, as if the plectoneme was locally pinched. We propose an analytic calculation of the energetic barrier, of elastic nature, required to bring closer the two loci situated on the opposed double strands. We examine how this energy barrier scales with the DNA supercoiling. For physically relevant values of elastic parameters and of supercoiling density, we show that the energy barrier is in the kBT range under physiological conditions, thus demonstrating that the limiting step to loci encounter is more likely the preceding plectoneme slithering bringing the two loci side by side.

Arabidopsis myrosinases link the glucosinolate-myrosinase system and the cuticle

PubMed Central

Ahuja, Ishita; de Vos, Ric C. H.; Rohloff, Jens; Stoopen, Geert M.; Halle, Kari K.; Ahmad, Samina Jam Nazeer; Hoang, Linh; Hall, Robert D.; Bones, Atle M.

2016-01-01

Both physical barriers and reactive phytochemicals represent two important components of a plant’s defence system against environmental stress. However, these two defence systems have generally been studied independently. Here, we have taken an exclusive opportunity to investigate the connection between a chemical-based plant defence system, represented by the glucosinolate-myrosinase system, and a physical barrier, represented by the cuticle, using Arabidopsis myrosinase (thioglucosidase; TGG) mutants. The tgg1, single and tgg1 tgg2 double mutants showed morphological changes compared to wild-type plants visible as changes in pavement cells, stomatal cells and the ultrastructure of the cuticle. Extensive metabolite analyses of leaves from tgg mutants and wild-type Arabidopsis plants showed altered levels of cuticular fatty acids, fatty acid phytyl esters, glucosinolates, and indole compounds in tgg single and double mutants as compared to wild-type plants. These results point to a close and novel association between chemical defence systems and physical defence barriers. PMID:27976683

Double copper sheath multiconductor instrumentation cable is durable and easily installed in high thermal or nuclear radiation area

NASA Technical Reports Server (NTRS)

Mc Crae, A. W., Jr.

1967-01-01

Multiconductor instrumentation cable in which the conducting wires are routed through two concentric copper tube sheaths, employing a compressed insulator between the conductors and between the inner and outer sheaths, is durable and easily installed in high thermal or nuclear radiation area. The double sheath is a barrier against moisture, abrasion, and vibration.

Effect of pressure on the tetragonal distortion in TiH2: a first-principles study

NASA Astrophysics Data System (ADS)

de Coss, R.; Quijano, R.; Singh, D. J.

2009-03-01

The transition metal dihydride TiH2 present the fluorite structure (CaF2) at high temperature but undergoes a tetragonal distortion with c/a<1 at low temperature. Early electronic band structure calculations have shown that TiH2 in the cubic phase display a nearly flat double degenerated band at the Fermi level. Thus the low temperature tetragonal distortion has been associated to a Jahn-Teller effect. Nevertheless, recently we have show that the instability of fcc-TiH2 is likely to be related with a van Hove singularity. In the present work, we have performed ab-initio calculations of the electronic structure and the tetragonal distortion for TiH2 under pressure (0-30 GPa). We found that the fcc-fct energy barrier and the tetragonal distortion increases with pressure. The evolution of the tetragonal distortion is analyzed in terms of the electronic band structure. This research was supported by Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grant No. 49985.

The effect of a nonmagnetic cap layer on the spin-polarized tunneling and magnetoresistance in double-barrier planar junctions

NASA Astrophysics Data System (ADS)

Xie, Zheng-Wei; Li, Bo-Zang; Li, Yu-Xian

2003-10-01

Within the framework of the free-electron model, the tunneling magnetoresistance (TMR) and tunneling conductance (TC) in double magnetic tunnel junctions (DMTJ) with nonmagnetic cap layer, i.e. the NM/FM/I/NM/(FM)/I/FM/NM junction is investigated. FM, NM and I represent the ferromagnetic metal, nonmagnetic metal and insulator, respectively, NM(FM) indicates that the middle layer can be NM or FM. Our results show that, due to the spin-dependent interfacial potential barriers, the influences of the thickness of the FM layer on TC and TMR in DMTJ are large, and when the thicknesses of these two FM layers are suitable a large TMR can be obtained. (

Analytical modeling of trilayer graphene nanoribbon Schottky-barrier FET for high-speed switching applications.

PubMed

Rahmani, Meisam; Ahmadi, Mohammad Taghi; Abadi, Hediyeh Karimi Feiz; Saeidmanesh, Mehdi; Akbari, Elnaz; Ismail, Razali

2013-01-30

Recent development of trilayer graphene nanoribbon Schottky-barrier field-effect transistors (FETs) will be governed by transistor electrostatics and quantum effects that impose scaling limits like those of Si metal-oxide-semiconductor field-effect transistors. The current-voltage characteristic of a Schottky-barrier FET has been studied as a function of physical parameters such as effective mass, graphene nanoribbon length, gate insulator thickness, and electrical parameters such as Schottky barrier height and applied bias voltage. In this paper, the scaling behaviors of a Schottky-barrier FET using trilayer graphene nanoribbon are studied and analytically modeled. A novel analytical method is also presented for describing a switch in a Schottky-contact double-gate trilayer graphene nanoribbon FET. In the proposed model, different stacking arrangements of trilayer graphene nanoribbon are assumed as metal and semiconductor contacts to form a Schottky transistor. Based on this assumption, an analytical model and numerical solution of the junction current-voltage are presented in which the applied bias voltage and channel length dependence characteristics are highlighted. The model is then compared with other types of transistors. The developed model can assist in comprehending experiments involving graphene nanoribbon Schottky-barrier FETs. It is demonstrated that the proposed structure exhibits negligible short-channel effects, an improved on-current, realistic threshold voltage, and opposite subthreshold slope and meets the International Technology Roadmap for Semiconductors near-term guidelines. Finally, the results showed that there is a fast transient between on-off states. In other words, the suggested model can be used as a high-speed switch where the value of subthreshold slope is small and thus leads to less power consumption.

P-Compensated and P-Doped Superlattice Infrared Detectors

NASA Technical Reports Server (NTRS)

Khoshakhlagh, Arezou (Inventor); Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor)

2017-01-01

Barrier infrared detectors configured to operate in the long-wave (LW) infrared regime are provided. The barrier infrared detector systems may be configured as pin, pbp, barrier and double heterostructrure infrared detectors incorporating optimized p-doped absorbers capable of taking advantage of high mobility (electron) minority carriers. The absorber may be a p-doped Ga-free InAs/InAsSb material. The p-doping may be accomplished by optimizing the Be doping levels used in the absorber material. The barrier infrared detectors may incorporate individual superlattice layers having narrower periodicity and optimization of Sb composition to achieve cutoff wavelengths of.about.10.mu.m.

Triode carbon nanotube field emission display using barrier rib structure and manufacturing method thereof

DOEpatents

Han, In-taek; Kim, Jong-min

2003-01-01

A triode carbon nanotube field emission display (FED) using a barrier rib structure and a manufacturing method thereof are provided. In a triode carbon nanotube FED employing barrier ribs, barrier ribs are formed on cathode lines by a screen printing method, a mesh structure is mounted on the barrier ribs, and a spacer is inserted between the barrier ribs through slots of the mesh structure, thereby stably fixing the mesh structure and the spacer within a FED panel due to support by the barrier ribs.

Reconstructive structural phase transitions in dense Mg

NASA Astrophysics Data System (ADS)

Yao, Yansun; Klug, Dennis D.

2012-07-01

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

Reconstructive structural phase transitions in dense Mg.

PubMed

Yao, Yansun; Klug, Dennis D

2012-07-04

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

Permeability and flammability study of composite sandwich structures for cryogenic applications

NASA Astrophysics Data System (ADS)

Bubacz, Monika

Fiber reinforced plastics offer advantageous specific strength and stiffness compared to metals and has been identified as candidates for the reusable space transportation systems primary structures including cryogenic tanks. A number of carbon and aramid fiber reinforced plastics have been considered for the liquid hydrogen tanks. Materials selection is based upon mechanical properties and containment performance (long and short term) and upon manufacturing considerations. The liquid hydrogen tank carries shear, torque, end load, and bending moment due to gusts, maneuver, take-off, landing, lift, drag, and fuel sloshing. The tank is pressurized to about 1.5 atmosphere (14.6psi or 0.1 MPa) differential pressure and on ascent maintains the liquid hydrogen at a temperature of 20K. The objective of the research effort into lay the foundation for developing the technology required for reliable prediction of the effects of various design, manufacturing, and service parameters on the susceptibility of composite tanks to develop excessive permeability to cryogenic fuels. Efforts will be expended on developing the materials and structural concepts for the cryogenic tanks that can meet the functional requirements. This will include consideration for double wall composite sandwich structures, with inner wall to meet the cryogenic requirements. The structure will incorporate nanoparticles for properties modifications and developing barriers. The main effort will be extended to tank wall's internal skin design. The main requirements for internal composite stack are: (1) introduction of barrier film (e.g. honeycomb material paper sheet) to reduce the wall permeability to hydrogen, (2) introduction of nanoparticles into laminate resin to prevent micro-cracking or crack propagation. There is a need to characterize and analyze composite sandwich structural damage due to burning and explosion. Better understanding of the flammability and blast resistance of the composite structures needs to be evaluated.

On the temperature dependent current transport mechanisms and barrier inhomogeneity in Au/SnO2-PVA/n-Si Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Bilkan, Ç.; Badali, Y.; Fotouhi-Shablou, S.; Azizian-Kalandaragh, Y.; Altındal, Ş.

2017-08-01

In this paper, we report the preparation and characterization of SnO2-PVA nanocomposite film as interlayer for Schottky barrier diodes (SBDs). The possible current transport mechanisms (CTMs) of the prepared SBDs were investigated using the forward-bias current-voltage ( I- V) characteristics in the temperature range of 80-400 K. The structure of nanocomposite film was characterized by an X-ray diffractometer (XRD) and the surface morphology was investigated using a Scanning Electron Microscopy (SEM) at room temperature. The values of ideality factor ( n) and zero-bias barrier height (\\overline{Φ}_{Bo}) showed variation with temperature, such that they changed from 19.10 to 3.77 and 0.190 to 0.844 eV, respectively. \\overline{Φ}_{Bo}- n, \\overline{Φ}_{Bo}- q/2 kT, and n -1- q/2 kT plots were drawn to get evidence to the Gaussian Distribution (GD) of the barrier height (BH). These plots revealed two distinct linear regions with different slopes for low temperatures (80-160 K) (LTs) and high temperatures (180-400 K) (HTs). This behavior is an evidence to the existence double GD of BHs which provides an average value for BH (\\overline{Φ}_{Bo}) and a standard deviation (σs) for each region. The high value of n especially at low temperatures was attributed to the existence of interlayer: interface states ( N ss) and barrier inhomogeneity at Au/n-Si interface. The values of \\overline{Φ}_{Bo} and σs were obtained from the intercept and slope of mentioned plots as 0.588 and 0.0768 V for LTs and 1.183 eV and 0.158 V for HTs, respectively. Moreover, the modified ln( I s/ T 2)- q 2σ s 2 /2 k 2 T 2 vs q/ kT plot also showed two linear regions. The values of \\overline{Φ}_{Bo} and effective Richardson constant ( A *) were extracted from the slope and intercept of this plot as 0.610 eV and 93.13 A/cm2 K2 for LTs and 1.235 eV and 114.65 A/cm2 K2 for HTs, respectively. The value of A* for HTs is very close to the theoretical value (112 A/cm2 K2) of n-type Si. Thus, the forward-bias I- V- T characteristics of Au/SnO2-PVA/n-Si (SBDs) were successfully explained in terms of the thermionic-emission (TE) mechanism with a double GD of BHs.

The 640 × 512 LWIR type-II superlattice detectors operating at 110 K

NASA Astrophysics Data System (ADS)

Tan, Bi-Song; Zhang, Chuan-Jie; Zhou, Wen-Hong; Yang, Xiao-Jie; Wang, Guo-Wei; Li, Yun-Tao; Ding, Yan-Yan; Zhang, Zhou; Lei, Hua-Wei; Liu, Wei-Hua; Du, Yu; Zhang, Li-Fang; Liu, Bin; Wang, Li-Bao; Huang, Li

2018-03-01

The type-II InAs/GaSb superlattices (T2SLs)-based 640 × 512 long wavelength infrared (LWIR) Focal Plane Array (FPA) detector with15 μm pitch and 50% cut-off wavelength of 10.5 μm demonstrates a peak quantum efficiency of 38.6% and peak detectivity of 1.65 × 1011 cm Hz1/2 W-1 at 8.1 μm, high pixel operability of 99.5% and low responsivity non-uniformity of 2.69% at 80 K. The FPA exhibits clear infrared imaging at 110 K and diffusion-limited dark current densities below Tennant's 'Rule07' at temperature above 100 K, which is attributed to the efficient suppression of diffusion dark current and surface leak current by introducing M-structure barrier and double hetero-structure passivation layers.

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

Vexler, M. I., E-mail: shulekin@mail.ioffe.ru; Grekhov, I. V.

The features of electron tunneling from or into the silicon valence band in a metal–insulator–semiconductor system with the HfO{sub 2}(ZrO{sub 2})/SiO{sub 2} double-layer insulator are theoretically analyzed for different modes. It is demonstrated that the valence-band current plays a less important role in structures with HfO{sub 2}(ZrO{sub 2})/SiO{sub 2} than in structures containing only silicon dioxide. In the case of a very wide-gap high-K oxide ZrO{sub 2}, nonmonotonic behavior related to tunneling through the upper barrier is predicted for the valence-band–metal current component. The use of an insulator stack can offer certain advantages for some devices, including diodes, bipolar tunnel-emittermore » transistors, and resonant-tunneling diodes, along with the traditional use of high-K insulators in a field-effect transistor.« less

Magnetospheric Multiscale Satellite Observations of Parallel Electron Acceleration in Magnetic Field Reconnection by Fermi Reflection from Time Domain Structures

NASA Technical Reports Server (NTRS)

Mozer, F. S.; Agapitov, O. A.; Artemyev, A.; Burch, J. L.; Ergun, R. E.; Giles, B. L.; Mourenas, D.; Torbert, R. B.; Phan, T. D.; Vasko, I.

2016-01-01

The same time domain structures (TDS) have been observed on two Magnetospheric Multiscale Satellites near Earth's dayside magnetopause. These TDS, traveling away from the X line along the magnetic field at 4000 km/s, accelerated field-aligned approx. 5 eV electrons to approx. 200 eV by a single Fermi reflection of the electrons by these overtaking barriers. Additionally, the TDS contained both positive and negative potentials, so they were a mixture of electron holes and double layers. They evolve in approx.10 km of space or 7 ms of time and their spatial scale size is 10-20 km, which is much larger than the electron gyroradius (less than1km) or the electron inertial length (4 km at the observation point, less nearer the X line).

Electronic transmission in non-linear potential profile of GaAs/AlxGa1-xAs biased quantum well structure

NASA Astrophysics Data System (ADS)

Meghoufel, F. Z.; Bentata, S.; Terkhi, S.; Bendahma, F.; Cherid, S.

2013-05-01

We study the effect of the nonlinearity on electrons transmission properties in a double barriers structure GaAs/AlxGa1-xAs superlattices. The nonlinearity is introduced as an effective potential in the Schrödinger equation and translates the electronic Colombian repulsion. We have used the transfer matrix formalism and the plane wave functions approximation to solve numerically the equation and calculate the electronic transmission coefficient. We have shown the occurrence of two allowed states within the same well instead of a single, translating the presence of two resonant states at two different energies. The first allowed state intensity strongly decreases with increasing the nonlinear parameter, whereas the second one called the degeneracy state increases. Both the two states evolve towards higher resonances energies.

The recent and prospective developments of cooled IR FPAs for double application at Electron NRI

NASA Astrophysics Data System (ADS)

Arutunov, V. A.; Vasilyev, I. S.; Ivanov, V. G.; Prokofyev, A. E.

2003-09-01

The recent and prospective developments of monolithic silicon IR-Schottky-barrier staring focal plane arrays (IR SB FPAs), photodetector assembly, and digital thermal imaging cameras (TICs) at Electron National Research Institute (Electron NRI) are considered. Basic parameters for IR SB FPAs with 256x256 and 512x512 pixels, and TICs based on these arrays are presented. The problems emerged while proceeding from the developments of IR SB FPAs for the wavelength range from 3 μm to 5 μm to the developments of those ones for xLWIR range are indicated (an abrupt increase in the level of background architecture). Possibility for further improvement in basic parameters of IR SB FPAs are discussed (a decrease in threshold signal power down to 0.5-1.0"1013 W/element with an increase in quantum efficiency, a decrease in output noise and proceeding to Schottky barriers of degenerated semiconductor/silicon heterojunction, and implementation of these array parameters in photodetector assembly with improved thermal background shielding taking into consideration an optical structure of TIC for concrete application). It is concluded that relative simplicity of the technology and expected low cost of monolithic silicon IR SB FPAs with basic parameters compared with hybrid IR FPAs for the wavelength ranges from 3 μm to 5 μm and from 8 μm to 12 μm maintain large monolithic IR SB FPAs as a basis for developments of double application digital TICs in the Russian Federation.

Short-period (AlAs)(GaAs) superlattice lasers grown by molecular beam epitaxy

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

Blood, P.; Fletcher, E.D.; Foxon, C.T.

1988-07-25

We have used short-period all-binary (AlAs)(GaAs) superlattices with layers as thin as three monolayers to synthesize the barrier and cladding regions of GaAs quantum well lasers grown by molecular beam epitaxy. By studying the threshold current of single- and double-well devices as a function of cavity length and temperature, we conclude that the optical scattering losses are very low, that the gain-current characteristics are similar to alloy barrier devices, and that there is evidence for current leakage by recombination in the barriers.

Interfacial ionic 'liquids': connecting static and dynamic structures

DOE PAGES

Uysal, Ahmet; Zhou, Hua; Feng, Guang; ...

2014-12-05

It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. For this research, we used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene–RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can bemore » described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. Lastly, the potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. The results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (~0.15 eV).« less

Interfacial ionic 'liquids': connecting static and dynamic structures.

PubMed

Uysal, Ahmet; Zhou, Hua; Feng, Guang; Lee, Sang Soo; Li, Song; Cummings, Peter T; Fulvio, Pasquale F; Dai, Sheng; McDonough, John K; Gogotsi, Yury; Fenter, Paul

2015-01-28

It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. We used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene-RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can be described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. The potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. The results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (∼0.15 eV).

Quantum Transport

DTIC Science & Technology

1993-05-14

Lent 6 I We have studied transmission in quantum waveguides in the presence of resonant cavities. This work was inspired by our previous modeling of the...conductance of resonantly- coupled quantum wire systems. We expected to find qualitatively the same phenomena as in the much studied case of double...transmission peaks does not give the location of the quasi-bound3 states, like for double-barrier resonant tunneling. In current work, we study

Simulation study of free-energy barriers in the wetting transition of an oily fluid on a rough surface with reentrant geometry.

PubMed

Savoy, Elizabeth S; Escobedo, Fernando A

2012-11-20

When in contact with a rough solid surface, fluids with low surface tension, such as oils and alkanes, have their lowest free energy in the fully wetted state. For applications where nonwetting by these phillic fluids is desired, some barrier must be introduced to maintain the nonwetted composite state. One way to create this free-energy barrier is to fabricate roughness with reentrant geometry, but the question remains as to whether the free-energy barrier is sufficiently high to prevent wetting. Our goal is to quantify the free-energy landscape for the wetting transition of an oily fluid on a surface of nails and identify significant surface features and conditions that maximize the wetting free-energy barrier (ΔGfwd*). This is a departure from most work on wetting, which focuses on the equilibrium composite and wetted states. We use boxed molecular dynamics (BXD) (Glowacki, D. R.; Paci, E.; Shalashilin, D. V. J. Phys. Chem. B2009, 113, 16603-16611) with a modified control scheme to evaluate both the thermodynamics and kinetics of the transition over a range of surface affinities (chemistry). We find that the reentrant geometry of the nails does create a free-energy barrier to transition for phillic chemistry whereas a corresponding system on straight posts wets spontaneously and, that doubling the nail height more than doubles ΔGfwd*. For neutral to phillic chemistry, the dewetting free-energy barrier is at least an order of magnitude higher than that for wetting, indicating an essentially irreversible wetting transition. Transition rates from BXD simulations and the associated trends agree well with those in our previous study that used forward flux sampling to compute transition rates for similar systems.

Structural barriers to comprehensive, coordinated HIV care: geographic accessibility in the US South.

PubMed

Kimmel, April D; Masiano, Steven P; Bono, Rose S; Martin, Erika G; Belgrave, Faye Z; Adimora, Adaora A; Dahman, Bassam; Galadima, Hadiza; Sabik, Lindsay M

2018-05-30

Structural barriers to HIV care are particularly challenging in the US South, which has higher HIV diagnosis rates, poverty, uninsurance, HIV stigma, and rurality, and fewer comprehensive public health programs versus other US regions. Focusing on one structural barrier, we examined geographic accessibility to comprehensive, coordinated HIV care (HIVCCC) in the US South. We integrated publicly available data to study travel time to HIVCCC in 16 Southern states and District of Columbia. We geocoded HIVCCC service locations and estimated drive time between the population-weighted county centroid and closest HIVCCC facility. We evaluated drive time in aggregate, and by county-level HIV prevalence quintile, urbanicity, and race/ethnicity. Optimal drive time was ≤30 min, a common primary care accessibility threshold. We identified 228 service locations providing HIVCCC across 1422 Southern counties, with median drive time to care of 70 min (IQR 64 min). For 368 counties in the top HIV prevalence quintile, median drive time is 50 min (IQR 61 min), exceeding 60 min in over one-third of these counties. Among counties in the top HIV prevalence quintile, drive time to care is six-folder higher for rural versus super-urban counties. Counties in the top HIV prevalence quintiles for non-Hispanic Blacks and for Hispanics have >50% longer drive time to care versus for non-Hispanic Whites. Including another potential care source-publicly-funded health centers serving low-income populations-could double the number of high-HIV burden counties with drive time ≤30 min, representing nearly 35,000 additional people living with HIV with accessible HIVCCC. Geographic accessibility to HIVCCC is inadequate in the US South, even in high HIV burden areas, and geographic and racial/ethnic disparities exist. Structural factors, such as geographic accessibility to care, may drive disparities in health outcomes. Further research on programmatic policies, and evidence-based alternative HIV care delivery models improving access to care, is critical.

Method of installing subsurface barrier

DOEpatents

Nickelson, Reva A.; Richardson, John G.; Kostelnik, Kevin M.; Sloan, Paul A.

2007-10-09

Systems, components, and methods relating to subterranean containment barriers. Laterally adjacent tubular casings having male interlock structures and multiple female interlock structures defining recesses for receiving a male interlock structure are used to create subterranean barriers for containing and treating buried waste and its effluents. The multiple female interlock structures enable the barriers to be varied around subsurface objects and to form barrier sidewalls. The barrier may be used for treating and monitoring a zone of interest.

A randomized control hands-on defibrillation study-Barrier use evaluation.

PubMed

Wampler, David; Kharod, Chetan; Bolleter, Scotty; Burkett, Alison; Gabehart, Caitlin; Manifold, Craig

2016-06-01

Chest compressions and defibrillation are the only therapies proven to increase survival in cardiac arrest. Historically, rescuers must remove hands to shock, thereby interrupting chest compressions. This hands-off time results in a zero blood flow state. Pauses have been associated with poorer neurological recovery. This was a blinded randomized control cadaver study evaluating the detection of defibrillation during manual chest compressions. An active defibrillator was connected to the cadaver in the sternum-apex configuration. The sham defibrillator was not connected to the cadaver. Subjects performed chest compressions using 6 barrier types: barehand, single and double layer nitrile gloves, firefighter gloves, neoprene pad, and a manual chest compression/decompression device. Randomized defibrillations (10 per barrier type) were delivered at 30 joules (J) for bare hand and 360J for all other barriers. After each shock, the subject indicated degree of sensation on a VAS scale. Ten subjects participated. All subjects detected 30j shocks during barehand compressions, with only 1 undetected real shock. All barriers combined totaled 500 shocks delivered. Five (1%) active shocks were detected, 1(0.2%) single layer of Nitrile, 3(0.6%) with double layer nitrile, and 1(0.2%) with the neoprene barrier. One sham shock was reported with the single layer nitrile glove. No shocks were detected with fire gloves or compression decompression device. All shocks detected barely perceptible (0.25(±0.05)cm on 10cm VAS scale). Nitrile gloves and neoprene pad prevent (99%) responder's detection of defibrillation of a cadaver. Fire gloves and compression decompression device prevented detection. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Structural Configuration Systems Analysis for Advanced Aircraft Fuselage Concepts

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek; Welstead, Jason R.; Quinlan, Jesse R.; Guynn, Mark D.

2016-01-01

Structural configuration analysis of an advanced aircraft fuselage concept is investigated. This concept is characterized by a double-bubble section fuselage with rear mounted engines. Based on lessons learned from structural systems analysis of unconventional aircraft, high-fidelity finite-element models (FEM) are developed for evaluating structural performance of three double-bubble section configurations. Structural sizing and stress analysis are applied for design improvement and weight reduction. Among the three double-bubble configurations, the double-D cross-section fuselage design was found to have a relatively lower structural weight. The structural FEM weights of these three double-bubble fuselage section concepts are also compared with several cylindrical fuselage models. Since these fuselage concepts are different in size, shape and material, the fuselage structural FEM weights are normalized by the corresponding passenger floor area for a relative comparison. This structural systems analysis indicates that an advanced composite double-D section fuselage may have a relative structural weight ratio advantage over a conventional aluminum fuselage. Ten commercial and conceptual aircraft fuselage structural weight estimates, which are empirically derived from the corresponding maximum takeoff gross weight, are also presented and compared with the FEM- based estimates for possible correlation. A conceptual full vehicle FEM model with a double-D fuselage is also developed for preliminary structural analysis and weight estimation.

Chromosome doubling to overcome the chrysanthemum cross barrier based on insight from transcriptomic and proteomic analyses.

PubMed

Zhang, Fengjiao; Hua, Lichun; Fei, Jiangsong; Wang, Fan; Liao, Yuan; Fang, Weimin; Chen, Fadi; Teng, Nianjun

2016-08-09

Cross breeding is the most commonly used method in chrysanthemum (Chrysanthemum morifolium) breeding; however, cross barriers always exist in these combinations. Many studies have shown that paternal chromosome doubling can often overcome hybridization barriers during cross breeding, although the underlying mechanism has seldom been investigated. In this study, we performed two crosses: C. morifolium (pollen receptor) × diploid C. nankingense (pollen donor) and C. morifolium × tetraploid C. nankingense. Seeds were obtained only from the latter cross. RNA-Seq and isobaric tags for relative and absolute quantitation (iTRAQ) were used to investigate differentially expressed genes and proteins during key embryo development stages in the latter cross. A previously performed cross, C. morifolium × diploid C. nankingense, was compared to our results and revealed that transcription factors (i.e., the agamous-like MADS-box protein AGL80 and the leucine-rich repeat receptor protein kinase EXS), hormone-responsive genes (auxin-binding protein 1), genes and proteins related to metabolism (ATP-citrate synthase, citrate synthase and malate dehydrogenase) and other genes reported to contribute to embryo development (i.e., LEA, elongation factor and tubulin) had higher expression levels in the C. morifolium × tetraploid C. nankingense cross. In contrast, genes related to senescence and cell death were down-regulated in the C. morifolium × tetraploid C. nankingense cross. The data resources helped elucidate the gene and protein expression profiles and identify functional genes during different development stages. When the chromosomes from the male parent are doubled, the genes contributing to normal embryo developmentare more abundant. However, genes with negative functions were suppressed, suggesting that chromosome doubling may epigenetically inhibit the expression of these genes and allow the embryo to develop normally.

First resonant tunneling via a light-hole ground state

NASA Astrophysics Data System (ADS)

Lampin, J. F.; Mollot, F.

1998-07-01

We report the demonstration of resonant tunneling of light-holes through an AlAs/GaAs 0.7P 0.3 double-barrier heterostructure. The tensile strain in the quantum well reverses the order of the light- and heavy-hole levels, the first light-hole level becoming the ground state. The I( V) characteristics are measured at different temperatures and compared to those of a standard AlAs/GaAs unstrained structure. The peak current density of the first light-hole resonance and its peak-to-valley current ratio are enhanced. They reach 28 A/cm 2 and 3.4 : 1 at 15 K. A negative differential resistance is observed up to 250 K.

Role of phase breaking processes on resonant spin transfer torque nano-oscillators

NASA Astrophysics Data System (ADS)

Sharma, Abhishek; Tulapurkar, Ashwin A.; Muralidharan, Bhaskaran

2018-05-01

Spin transfer torque nano-oscillators (STNOs) based on magnetoresistance and spin transfer torque effects find potential applications in miniaturized wireless communication devices. Using the non-coherent non-equilibrium Green's function spin transport formalism self-consistently coupled with the stochastic Landau-Lifshitz-Gilbert-Slonczewski's equation and the Poisson's equation, we elucidate the role of elastic phase breaking on the proposed STNO design featuring double barrier resonant tunneling. Demonstrating the immunity of our proposed design, we predict that despite the presence of elastic dephasing, the resonant tunneling magnetic tunnel junction structures facilitate oscillator designs featuring a large enhancement in microwave power up to 8μW delivered to a 50Ω load.

OH Radical Reactions with Nitroimidazole and Nitrotriazole Derivatives

NASA Astrophysics Data System (ADS)

Gümüş, Selçuk

2012-04-01

The reactions between hydroxyl radical and 5-nitro-1H-imidazole (A), 2-nitro-1H-imidazole (B), and 3-nitro-4H-1,2,4-triazole (C) were theoretically investigated using B3LYP/6-31G(d,p) level of theory. The OH radical additions to double bonds were explored in bulk solvent (water). The data presented show that the barriers to reaction were very low, 3-7 kcal/mol, indicating fast reactions. Thermodynamically, OH addition to position 2 of structure A leads to the most stable radical product. The main geometrical parameters are reported for reactants, transition states, and radical products together with some energetic data of the nitro-imidazolone-type final compounds.

Claudin-1 induced sealing of blood-brain barrier tight junctions ameliorates chronic experimental autoimmune encephalomyelitis.

PubMed

Pfeiffer, Friederike; Schäfer, Julia; Lyck, Ruth; Makrides, Victoria; Brunner, Sarah; Schaeren-Wiemers, Nicole; Deutsch, Urban; Engelhardt, Britta

2011-11-01

In experimental autoimmune encephalomyelitis (EAE), an animal model for multiple sclerosis (MS), loss of the blood-brain barrier (BBB) tight junction (TJ) protein claudin-3 correlates with immune cell infiltration into the CNS and BBB leakiness. Here we show that sealing BBB TJs by ectopic tetracycline-regulated expression of the TJ protein claudin-1 in Tie-2 tTA//TRE-claudin-1 double transgenic C57BL/6 mice had no influence on immune cell trafficking across the BBB during EAE and furthermore did not influence the onset and severity of the first clinical disease episode. However, expression of claudin-1 did significantly reduce BBB leakiness for both blood borne tracers and endogenous plasma proteins specifically around vessels expressing claudin-1. In addition, mice expressing claudin-1 exhibited a reduced disease burden during the chronic phase of EAE as compared to control littermates. Our study identifies BBB TJs as the critical structure regulating BBB permeability but not immune cell trafficking into CNS during EAE, and indicates BBB dysfunction is a potential key event contributing to disease burden in the chronic phase of EAE. Our observations suggest that stabilizing BBB barrier function by therapeutic targeting of TJs may be beneficial in treating MS, especially when anti-inflammatory treatments have failed.

Surface morphological, electrical and transport properties of rapidly annealed double layers Ru/Cr Schottky structure on n-type InP

NASA Astrophysics Data System (ADS)

Shanthi Latha, K.; Rajagopal Reddy, V.

2017-07-01

The electrical and transport properties of a fabricated bilayer Ru/Cr/ n-InP Schottky diode (SD) have been investigated at different annealing temperatures. Atomic force microscopy results have showed that the overall surface morphology of the Ru/Cr/ n-InP SD is fairly smooth at elevated temperatures. High barrier height is achieved for the diode annealed at 300 °C compared to the as-deposited, annealed at 200 and 400 °C diodes. The series resistance and shunt resistance of the Ru/Cr/ n-InP SD are estimated by current-voltage method at different annealing temperatures. The barrier heights and series resistance are also determined by Cheung's and modified Norde functions. The interface state density of the Ru/Cr/ n-InP SD is found to be decreased after annealing at 300 °C and then slightly increased upon annealing at 400 °C. The difference between barrier heights obtained from current-voltage and capacitance-voltage is also discussed. Experimental results have showed that the Poole-Frenkel emission is found to be dominant in the lower bias region whereas Schottky emission is dominant in the higher bias region for the Ru/Cr/ n-InP SDs irrespective of annealing temperatures.

Gel-like double-emulsion droplets

NASA Astrophysics Data System (ADS)

Guzowski, Jan; Korczyk, Piotr; Garstecki, Piotr; Stone, Howard

2015-11-01

We experimentally study the problem of packing of micro-droplets inside a droplet of another immiscible liquid phase. We use microfluidics to encapsulate multiple monodisperse aqueous segments inside a drop of oil. For small numbers N (N<10) of the aqueous droplets and at their volume fraction in oil exceeding the close-packing threshold we observe multiple metastable structures with well-defined point-group symmetries. We attribute the observed metastability to the deformability of the droplets which leads to effective many-body interactions and energy barriers for rearrangement. By changing the composition of the oil phase we find that when the surface tensions of the droplets and of the encapsulating phase are comparable, the energy barriers are high enough to trap elongated structures or even linear chains, independently of N. However, when the surface tension of the encapsulating phase is much larger than that of the droplets, non-spherical morphologies are stable only at sufficiently high N. In such a case multiple internal interfaces can hold stresses and prevent relaxation of the global deformations which leads to a plastic, gel-like behavior. Our findings can serve as guidelines for synthesis of functional particles as well as for designing biomimetic materials, e.g. for tissue engineering. J.G. acknowledges financial support from Polish Ministry of Science provided within the framework Mobility Plus.

DFT and ab initio study of the unimolecular decomposition of the lowest singlet and triplet states of nitromethane

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

Manaa, M.R.; Fried, L.E.

1998-11-26

The fully optimized potential energy curves for the unimolecular decomposition of the lowest singlet and triplet states of nitromethane through the C-NO{sub 2} bond dissociation pathway are calculated using various DFT and high-level ab initio electronic structure methods. The authors perform gradient corrected density functional theory (DFT) and multiconfiguration self-consistent field (MCSCF) to conclusively demonstrate that the triplet state of nitromethane is bound. The adiabatic curve of this state exhibits a 33 kcal/mol energy barrier as determined at the MCSCF level. DFT methods locate this barrier at a shorter C-N bond distance with 12--16 kcal/mol lower energy than does MCSCF.more » In addition to MCSCF and DFT, quadratic configuration interactions with single and double substitutions (QCISD) calculations are also performed for the singlet curve. The potential energy profiles of this state predicted by FT methods based on Becke`s 1988 exchange functional differ by as much as 17 kcal/mol from the predictions of MCSCF and QCISD in the vicinity of the equilibrium structure. The computational methods predict bond dissociation energies 5--9 kcal/mol lower than the experimental value. DFT techniques based on Becke`s 3-parameter exchange functional show the best overall agreement with the higher level methods.« less

Recent developments in plasma spray processes for applications in energy technology

NASA Astrophysics Data System (ADS)

Mauer, G.; Jarligo, M. O.; Marcano, D.; Rezanka, S.; Zhou, D.; Vaßen, R.

2017-03-01

This work focuses on recent developments of plasma spray processes with respect to specific demands in energy technology. High Velocity Atmospheric Plasma Spraying (HV-APS) is a novel variant of plasma spraying devoted to materials which are prone to oxidation or decomposition. It is shown how this process can be used for metallic bondcoats in thermal barrier coating systems. Furthermore, Suspension Plasma Spraying (SPS) is a new method to process submicron-sized feedstock powders which are not sufficiently flowable to feed them in dry state. SPS is presently promoted by the development of novel torch concepts with axial feedstock injection. An example for a columnar structured double layer thermal barrier coating is given. Finally, Plasma Spray-Physical Vapor Deposition (PS-PVD) is a novel technology operating in controlled atmosphere at low pressure and high plasma power. At such condition, vaporization even of high-melting oxide ceramics is possible enabling the formation of columnar structured, strain tolerant coatings with low thermal conductivity. Applying different conditions, the deposition is still dominated by liquid splats. Such process is termed Low Pressure Plasma Spraying-Thin Film (LPPS-TF). Two examples of applications are gas-tight and highly ionic and electronic conductive electrolyte and membrane layers which were deposited on porous metallic substrates.

Adiabatic and coupled channels calculations for near barrier fusion of 16O +238U using realistic nucleon-nucleon interaction

NASA Astrophysics Data System (ADS)

Ismail, M.; Seif, W. M.; Botros, M. M.

2016-04-01

We investigate the fusion cross-section and the fusion barrier distribution of 16O +238U at near- and sub-barrier energies. We use an interaction potential generated by the semi-microscopic double folding model-based on density dependent (DD) form of the realistic Michigan-three-Yukawa (M3Y) Reid nucleon-nucleon (NN) interaction. We studied the role of both the static and dynamic deformations of the target nucleus on the fusion process. Rotational and vibrational degrees of freedom of 238U-nucleus are considered. We found that the deformation and the octupole vibrations in 238U enhance its sub-barrier fusion cross-section. The signature of the the octupole vibrational modes of 238U appears clearly in its fusion barrier distribution profile.

Highly strained InxGa(1-x)As-InyAl(1-y)As (x>0.8,y<0.3) layers for short wavelength QWIP and QCL structures grown by MBE

NASA Astrophysics Data System (ADS)

Missous, M.; Mitchell, C.; Sly, J.; Lai, K. T.; Gupta, R.; Haywood, S. K.

2004-01-01

Highly strained quantum cascade laser (QCL) and quantum well infrared photodetector (QWIPs) structures based on InxGa(1-x)As-InyAl(1-y)As (x>0.8,y<0.3) layers have been grown by molecular beam epitaxy. Conditions of exact stoichiometric growth were used at a temperature of ∼420°C to produce structures that are suitable for both emission and detection in the 2- 5 μm mid-infrared regime. High structural integrity, as assessed by double crystal X-ray diffraction, room temperature photoluminescence and electrical characteristics were observed. Strong room temperature intersubband absorption in highly tensile strained and strain-compensated In 0.84Ga 0.16As/AlAs/In 0.52Al 0.48As double barrier quantum wells grown on InP substrates is demonstrated. Γ- Γ intersubband transitions have been observed across a wide range of the mid-infrared spectrum (2- 7 μm) in three structures of differing In 0.84Ga 0.16As well width (30, 45, and 80 Å). We demonstrate short-wavelength IR, intersubband operation in both detection and emission for application in QC and QWIP structures. By pushing the InGaAs-InAlAs system to its ultimate limit, we have obtained the highest band offsets that are theoretically possible in this system both for the Γ- Γ bands and the Γ-X bands, thereby opening up the way for both high power and high efficiency coupled with short-wavelength operation at room temperature. The versatility of this material system and technique in covering a wide range of the infrared spectrum is thus demonstrated.

Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins.

PubMed

Junginger, Andrej; Duvenbeck, Lennart; Feldmaier, Matthias; Main, Jörg; Wunner, Günter; Hernandez, Rigoberto

2017-08-14

In chemical or physical reaction dynamics, it is essential to distinguish precisely between reactants and products for all times. This task is especially demanding in time-dependent or driven systems because therein the dividing surface (DS) between these states often exhibits a nontrivial time-dependence. The so-called transition state (TS) trajectory has been seen to define a DS which is free of recrossings in a large number of one-dimensional reactions across time-dependent barriers and thus, allows one to determine exact reaction rates. A fundamental challenge to applying this method is the construction of the TS trajectory itself. The minimization of Lagrangian descriptors (LDs) provides a general and powerful scheme to obtain that trajectory even when perturbation theory fails. Both approaches encounter possible breakdowns when the overall potential is bounded, admitting the possibility of returns to the barrier long after the trajectories have reached the product or reactant wells. Such global dynamics cannot be captured by perturbation theory. Meanwhile, in the LD-DS approach, it leads to the emergence of additional local minima which make it difficult to extract the optimal branch associated with the desired TS trajectory. In this work, we illustrate this behavior for a time-dependent double-well potential revealing a self-similar structure of the LD, and we demonstrate how the reflections and side-minima can be addressed by an appropriate modification of the LD associated with the direct rate across the barrier.

Tunneling magnetoresistance tuned by a vertical electric field in an AA-stacked graphene bilayer with double magnetic barriers

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

Wang, Dali, E-mail: wangdali@mail.ahnu.edu.cn; National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093; Jin, Guojun, E-mail: gjin@nju.edu.cn

2013-12-21

We investigate the effect of a vertical electric field on the electron tunneling and magnetoresistance in an AA-stacked graphene bilayer modulated by the double magnetic barriers with parallel or antiparallel configuration. The results show that the electronic transmission properties in the system are sensitive to the magnetic-barrier configuration and the bias voltage between the graphene layers. In particular, it is found that for the antiparallel configuration, within the low energy region, the blocking effect is more obvious compared with the case for the parallel configuration, and even there may exist a transmission spectrum gap which can be arbitrarily tuned bymore » the field-induced interlayer bias voltage. We also demonstrate that the significant discrepancy between the conductance for both parallel and antiparallel configurations would result in a giant tunneling magnetoresistance ratio, and further the maximal magnetoresistance ratio can be strongly modified by the interlayer bias voltage. This leads to the possible realization of high-quality magnetic sensors controlled by a vertical electric field in the AA-stacked graphene bilayer.« less

Conductance of graphene based normal-superconductor junction with double magnetic barriers

NASA Astrophysics Data System (ADS)

Abdollahipour, B.; Mohebalipour, A.; Maleki, M. A.

2018-05-01

We study conductance of a graphene based normal metal-superconductor junction with two magnetic barriers. The magnetic barriers are induced via two applied magnetic fields with the same magnitudes and opposite directions accompanied by an applied electrostatic potential. We solve Dirac-Bogoliubov-De-Gennes (DBdG) equation to calculate conductance of the junction. We find that applying the magnetic field leads to suppression of the Andreev reflection and conductance for all energies. On the other hand, we observe a crossover from oscillatory to tunneling behavior of the conductance as a function of the applied potential by increasing the magnetic field.

Self-employment as a solution for attitudinal barriers: a case study.

PubMed

Quinton, Melanie C

2014-01-01

This paper uses a case study to examine attitudinal barriers to employment and underemployment. We follow the career path of PR, a woman with multiple physical impairments, as she seeks financial independence through several employment strategies. In these, she faced attitudinal barriers and employment situations without opportunity for advancement. Eventually, PR opens her own business, turning to an alternative loan program to acquire the funds necessary to purchase a ready-made vehicle that matches her needs for accessible transportation. Use of this vehicle to provide delivery services for her business has more than doubled her income.

Quantum finance Hamiltonian for coupon bond European and barrier options.

PubMed

Baaquie, Belal E

2008-03-01

Coupon bond European and barrier options are financial derivatives that can be analyzed in the Hamiltonian formulation of quantum finance. Forward interest rates are modeled as a two-dimensional quantum field theory and its Hamiltonian and state space is defined. European and barrier options are realized as transition amplitudes of the time integrated Hamiltonian operator. The double barrier option for a financial instrument is "knocked out" (terminated with zero value) if the price of the underlying instrument exceeds or falls below preset limits; the barrier option is realized by imposing boundary conditions on the eigenfunctions of the forward interest rates' Hamiltonian. The price of the European coupon bond option and the zero coupon bond barrier option are calculated. It is shown that, is general, the constraint function for a coupon bond barrier option can -- to a good approximation -- be linearized. A calculation using an overcomplete set of eigenfunctions yields an approximate price for the coupon bond barrier option, which is given in the form of an integral of a factor that results from the barrier condition times another factor that arises from the payoff function.

Non-rigid molecule of copper(II) diiminate Cu[CF3C(NH)C(F)C(NH)CF3]2, its conformational polymorphism in crystal and structure in solutions (Raman, UV-vis and quantum chemistry study)

NASA Astrophysics Data System (ADS)

Bukalov, Sergey S.; Aysin, Rinat R.; Leites, Larissa A.; Kurykin, Mikhail A.; Khrustalev, Victor N.

2015-10-01

Calculation of potential energy surface (PES) of isolated molecule of copper(II) diiminate Cu[CF3С(NH)C(F)C(NH)CF3]2 (1) resulted a double-well curve with the minima corresponding to equivalent screwed conformations. The low barrier leads to molecular non-rigidity which seems to be the reason of conformational polymorphism in crystals, reported in [1]. For one of newly found polymorphs, the X-ray structure was determined. The differences in the Raman and UV-vis spectra between differently colored species and their solutions were revealed, they are determined by different geometries of Cu(II) coordination polyhedron and different systems of intermolecular interactions in crystals. Transformations of the polymorphs under thermal, mechanical and photo exposures were studied.

Sound Transmission Through Multi-Panel Structures Lined with Elastic Porous Materials

NASA Astrophysics Data System (ADS)

Bolton, J. S.; Shiau, N.-M.; Kang, Y. J.

1996-04-01

Theory and measurements related to sound transmission through double panels lined with elastic porous media are presented. The information has application to the design of noise control barriers and to the optimization of aircraft fuselage transmission loss, for example. The major difference between the work described here and earlier research in this field relates to the treatment of the porous material that is used to line the cavity between the two panels of the double panel structure. Here we have used the porous material theory proposed by Biot since it takes explicit account of all the wave types known to propagate in elastic porous materials. As a result, it is possible to use the theory presented here to calculate the transmission loss of lined double panels at arbitrary angles of incidence; results calculated over a range of incidence angles may then be combined to yield the random incidence transmission loss. In this paper, the equations governing wave propagation in an elastic porous material are first considered briefly and then the general forms for the stresses and displacements within the porous material are given. Those solutions are expressed in terms of a number of constants that can be determined by application of appropriate boundary conditions. The boundary conditions required to model double panels having linings that are either directly attached to the facing panels or separated?!from them by air gaps are presented and discussed. Measurements of the random incidence transmission loss of aluminium double-panel structures lined with polyurethane foam are presented and have been found to be in good agreement with theoretical predictions. Both the theoretical predictions and the measured results have shown that the method by which an elastic porous lining material is attached to the facing panels can have a profound influence on the transmission loss of the panel system. It has been found, for example, that treatments in which the lining material is not directly attached to the facing panels are generally to be preferred to those in which the lining is directly bonded to the panels. These effects may be explained by considering the degree to which the various wave types within the elastic porous material are excited, which in turn can be related to the method by which the lining is mounted to the facing panels.

Subsurface materials management and containment system

DOEpatents

Nickelson, Reva A.; Richardson, John G.; Kosteinik, Kevin M.; Sloan, Paul A.

2004-07-06

Systems, components, and methods relating to subterranean containment barriers. Laterally adjacent tubular casings having male interlock structures and multiple female interlock structures defining recesses for receiving a male interlock structure are used to create subterranean barriers for containing and treating buried waste and its effluents. The multiple female interlock structures enable the barriers to be varied around subsurface objects and to form barrier sidewalls. The barrier may be used for treating and monitoring a zone of interest.

Subsurface materials management and containment system

DOEpatents

Nickelson, Reva A.; Richardson, John G.; Kostelnik, Kevin M.; Sloan, Paul A.

2006-10-17

Systems, components, and methods relating to subterranean containment barriers. Laterally adjacent tubular casings having male interlock structures and multiple female interlock structures defining recesses for receiving a male interlock structure are used to create subterranean barriers for containing and treating buried waste and its effluents. The multiple female interlock structures enable the barriers to be varied around subsurface objects and to form barrier sidewalls. The barrier may be used for treating and monitoring a zone of interest.

Improving the light output power of DUV-LED by introducing an intrinsic last quantum barrier interlayer on the high-quality AlN template

NASA Astrophysics Data System (ADS)

Tsai, Chia-Lung; Liu, Hsueh-Hsing; Chen, Jun-Wei; Lu, Chien-Pin; Ikenaga, Kazutada; Tabuchi, Toshiya; Matsumoto, Koh; Fu, Yi-Keng

2017-12-01

We demonstrate that the light output power of deep ultraviolet light-emitting diodes (DUV-LEDs) can be improved by introducing an intrinsic last quantum barrier interlayer to a high quality AlN template. The light output power of the DUV-LEDs can be doubled by substituting the last quantum barrier with an intrinsic last quantum barrier (u-LQB)/Mg-doped LQB for only pure u-LQB in the same thickness with a 35 A/cm2 injection current. It is believed that the improved performance of the DUV LED could be attributed to the decreased diffusion of Mg tunneling into MQW and the reduction of sub-band parasitic emissions.

Shallow Melt Apparatus for Semicontinuous Czochralski Crystal Growth

DOEpatents

Wang, T.; Ciszek, T. F.

2006-01-10

In a single crystal pulling apparatus for providing a Czochralski crystal growth process, the improvement of a shallow melt crucible (20) to eliminate the necessity supplying a large quantity of feed stock materials that had to be preloaded in a deep crucible to grow a large ingot, comprising a gas tight container a crucible with a deepened periphery (25) to prevent snapping of a shallow melt and reduce turbulent melt convection; source supply means for adding source material to the semiconductor melt; a double barrier (23) to minimize heat transfer between the deepened periphery (25) and the shallow melt in the growth compartment; offset holes (24) in the double barrier (23) to increase melt travel length between the deepened periphery (25) and the shallow growth compartment; and the interface heater/heat sink (22) to control the interface shape and crystal growth rate.

Stakeholders' views on the routine use of n-of-1 trials to improve clinical care and to make resource allocation decisions for drug use.

PubMed

Nikles, Jane; Mitchell, Geoffrey K; Clavarino, Alexandra; Yelland, Michael J; Del Mar, Christopher B

2010-03-01

N-of-1 trials are empirical formal tests using a within-patient randomised, double-blind, cross-over comparison of drug and placebo (or another drug), which we adapted to study individual patients' responses as a clinical tool to guide clinical management. We administered semi-structured interviews to gauge stakeholder perspectives on the possibility of using routine n-of-1 trials for this purpose. Stakeholders included government and non-government health care sector, and patient, clinician and consumer, organisations. Stakeholders supported more widespread implementation of n-of-1 trials, in a targeted fashion, with some caveats. Barriers to their widespread implementation included constraints on doctors' time, doctors' acceptance, drug company acceptance, patient willingness, and cost. Strategies for overcoming barriers included conditional Pharmaceutical Benefits Scheme listing if cost-effective. There was little consensus on which model of n-of-1 trial implementation would be most effective. We discuss different approaches to addressing the several concerns raised to enable widespread introduction of n-of-1 trials into routine clinical practice as a decision tool.

Glucose transformation to 5-hydroxymethylfurfural in acidic ionic liquid: A quantum mechanical study.

PubMed

Arifin; Puripat, Maneeporn; Yokogawa, Daisuke; Parasuk, Vudhichai; Irle, Stephan

2016-01-30

Isomerization and transformation of glucose and fructose to 5-hydroxymethylfurfural (HMF) in both ionic liquids (ILs) and water has been studied by the reference interaction site model self-consistent field spatial electron density distribution (RISM-SCF-SEDD) method coupled with ab initio electronic structure theory, namely coupled cluster single, double, and perturbative triple excitation (CCSD(T)). Glucose isomerization to fructose has been investigated via cyclic and open chain mechanisms. In water, the calculations support the cyclic mechanism of glucose isomerization; with the predicted activation free energy is 23.8 kcal mol(-1) at experimental condition. Conversely, open ring mechanism is more favorable in ILs with the energy barrier is 32.4 kcal mol(-1) . Moreover, the transformation of fructose into HMF via cyclic mechanism is reasonable; the calculated activation barriers are 16.0 and 21.5 kcal mol(-1) in aqueous and ILs solutions, respectively. The solvent effects of ILs could be explained by the decomposition of free energies and radial distribution functions of solute-solvent that are produced by RISM-SCF-SEDD. © 2015 Wiley Periodicals, Inc.

Energy-filtered cold electron transport at room temperature

PubMed Central

Bhadrachalam, Pradeep; Subramanian, Ramkumar; Ray, Vishva; Ma, Liang-Chieh; Wang, Weichao; Kim, Jiyoung; Cho, Kyeongjae; Koh, Seong Jin

2014-01-01

Fermi-Dirac electron thermal excitation is an intrinsic phenomenon that limits functionality of various electron systems. Efforts to manipulate electron thermal excitation have been successful when the entire system is cooled to cryogenic temperatures, typically <1 K. Here we show that electron thermal excitation can be effectively suppressed at room temperature, and energy-suppressed electrons, whose energy distribution corresponds to an effective electron temperature of ~45 K, can be transported throughout device components without external cooling. This is accomplished using a discrete level of a quantum well, which filters out thermally excited electrons and permits only energy-suppressed electrons to participate in electron transport. The quantum well (~2 nm of Cr2O3) is formed between source (Cr) and tunnelling barrier (SiO2) in a double-barrier-tunnelling-junction structure having a quantum dot as the central island. Cold electron transport is detected from extremely narrow differential conductance peaks in electron tunnelling through CdSe quantum dots, with full widths at half maximum of only ~15 mV at room temperature. PMID:25204839

Rapid divergence of mussel populations despite incomplete barriers to dispersal.

PubMed

Maas, Diede L; Prost, Stefan; Bi, Ke; Smith, Lydia L; Armstrong, Ellie E; Aji, Ludi P; Toha, Abdul Hamid A; Gillespie, Rosemary G; Becking, Leontine E

2018-04-01

Striking genetic structure among marine populations at small spatial scales is becoming evident with extensive molecular studies. Such observations suggest isolation at small scales may play an important role in forming patterns of genetic diversity within species. Isolation-by-distance, isolation-by-environment and historical priority effects are umbrella terms for a suite of processes that underlie genetic structure, but their relative importance at different spatial and temporal scales remains elusive. Here, we use marine lakes in Indonesia to assess genetic structure and assess the relative roles of the processes in shaping genetic differentiation in populations of a bivalve mussel (Brachidontes sp.). Marine lakes are landlocked waterbodies of similar age (6,000-10,000 years), but with heterogeneous environments and varying degrees of connection to the sea. Using a population genomic approach (double-digest restriction-site-associated DNA sequencing), we show strong genetic structuring across populations (range F ST : 0.07-0.24) and find limited gene flow through admixture plots. At large spatial scales (>1,400 km), a clear isolation-by-distance pattern was detected. At smaller spatial scales (<200 km), this pattern is maintained, but accompanied by an association of genetic divergence with degree of connection. We hypothesize that (incomplete) dispersal barriers can cause initial isolation, allowing priority effects to give the numerical advantage necessary to initiate strong genetic structure. Priority effects may be strengthened by local adaptation, which the data may corroborate by showing a high correlation between mussel genotypes and temperature. Our study indicates an often-neglected role of (evolution-mediated) priority effects in shaping population divergence. © 2018 The Authors. Molecular Ecology published by John Wiley & Sons Ltd.

Method of sealing casings of subsurface materials management system

DOEpatents

Nickelson, Reva A.; Richardson, John G.; Kostelnik, Kevin M.; Sloan, Paul A.

2007-02-06

Systems, components, and methods relating to subterranean containment barriers. Laterally adjacent tubular casings having male interlock structures and multiple female interlock structures defining recesses for receiving a male interlock structure are used to create subterranean barriers for containing and treating buried waste and its effluents. The multiple female interlock structures enable the barriers to be varied around subsurface objects and to form barrier sidewalls. The barrier may be used for treating and monitoring a zone of interest.

Dehydrogenation of aromatic molecules under a scanning tunneling microscope: pathways and inelastic spectroscopy simulations.

PubMed

Lesnard, Hervé; Bocquet, Marie-Laure; Lorente, Nicolas

2007-04-11

We have performed a theoretical study on the dehydrogenation of benzene and pyridine molecules on Cu(100) induced by a scanning tunneling microscope (STM). Density functional theory calculations have been used to characterize benzene, pyridine, and different dehydrogenation products. The adiabatic pathways for single and double dehydrogenation have been evaluated with the nudge elastic band method. After identification of the transition states, the analysis of the electronic structure along the reaction pathway yields interesting information on the electronic process that leads to H-scission. The adiabatic barriers show that the formation of double dehydrogenated fragments is difficult and probably beyond reach under the actual experimental conditions. However, nonadiabatic processes cannot be ruled out. Hence, in order to identify the final dehydrogenation products, the inelastic spectra are simulated and compared with the experimental ones. We can then assign phenyl (C6H5) and alpha-pyridil (alpha-C5H4N) as the STM-induced dehydrogenation products of benzene and pyridine, respectively. Our simulations permit us to understand why phenyl, pyridine, and alpha-pyridil present tunneling-active C-H stretch modes in opposition to benzene.

Subsurface materials management and containment system, components thereof and methods relating thereto

DOEpatents

Nickelson, Reva A.; Richardson, John G.; Kostelnik, Kevin M.; Sloan, Paul A.

2006-04-18

Systems, components, and methods relating to subterranean containment barriers. Laterally adjacent tubular casings having male interlock structures and multiple female interlock structures defining recesses for receiving a male interlock structure are used to create subterranean barriers for containing and treating buried waste and its effluents. The multiple female interlock structures enable the barriers to be varied around subsurface objects and to form barrier sidewalls. The barrier may be used for treating and monitoring a zone of interest.

DFMSPH14: A C-code for the double folding interaction potential of two spherical nuclei

NASA Astrophysics Data System (ADS)

Gontchar, I. I.; Chushnyakova, M. V.

2016-09-01

This is a new version of the DFMSPH code designed to obtain the nucleus-nucleus potential by using the double folding model (DFM) and in particular to find the Coulomb barrier. The new version uses the charge, proton, and neutron density distributions provided by the user. Also we added an option for fitting the DFM potential by the Gross-Kalinowski profile. The main functionalities of the original code (e.g. the nucleus-nucleus potential as a function of the distance between the centers of mass of colliding nuclei, the Coulomb barrier characteristics, etc.) have not been modified. Catalog identifier: AEFH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland. Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 7211 No. of bytes in distributed program, including test data, etc.: 114404 Distribution format: tar.gz Programming language: C Computer: PC and Mac Operation system: Windows XP and higher, MacOS, Unix/Linux Memory required to execute with typical data: below 10 Mbyte Classification: 17.9 Catalog identifier of previous version: AEFH_v1_0 Journal reference of previous version: Comp. Phys. Comm. 181 (2010) 168 Does the new version supersede the previous version?: Yes Nature of physical problem: The code calculates in a semimicroscopic way the bare interaction potential between two colliding spherical nuclei as a function of the center of mass distance. The height and the position of the Coulomb barrier are found. The calculated potential is approximated by an analytical profile (Woods-Saxon or Gross-Kalinowski) near the barrier. Dependence of the barrier parameters upon the characteristics of the effective NN forces (like, e.g. the range of the exchange part of the nuclear term) can be investigated. Method of solution: The nucleus-nucleus potential is calculated using the double folding model with the Coulomb and the effective M3Y NN interactions. For the direct parts of the Coulomb and the nuclear terms, the Fourier transform method is used. In order to calculate the exchange parts, the density matrix expansion method is applied. Typical running time: less than 1 minute. Reason for new version: Many users asked us how to implement their own density distributions in the DFMSPH. Now this option has been added. Also we found that the calculated Double-Folding Potential (DFP) is approximated more accurately by the Gross-Kalinowski (GK) profile. This option has been also added.

Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex.

PubMed

Li, Ping; Bu, Yuxiang

2004-11-22

The behavior of double proton transfer occurring in a representative glycinamide-formic acid complex has been investigated at the B3LYP/6-311 + + G( * *) level of theory. Thermodynamic and, especially, kinetic parameters, such as tautomeric energy, equilibrium constant, and barrier heights have been discussed, respectively. The relevant quantities involved in the double proton transfer process, such as geometrical changes, interaction energies, and intrinsic reaction coordinate calculations have also been studied. Computational results show that the participation of a formic acid molecule favors the proceeding of the proton transfer for glycinamide compared with that without mediate-assisted case. The double proton transfer process proceeds with a concerted mechanism rather than a stepwise one since no ion-pair complexes have been located during the proton transfer process. The calculated barrier heights are 11.48 and 0.85 kcal/mol for the forward and reverse directions, respectively. However, both of them have been reduced by 2.95 and 2.61 kcal/mol to 8.53 and -1.76 kcal/mol if further inclusion of zero-point vibrational energy corrections, where the negative barrier height implies that the reverse reaction should proceed with barrierless spontaneously, analogous to that occurring between glycinamide and formamide. Furthermore, solvent effects on the thermodynamic and kinetic processes have also been predicted qualitatively employing the isodensity surface polarized continuum model within the framework of the self-consistent reaction field theory. Additionally, the oxidation process for the double H-bonded glycinamide-formic acid complex has also been investigated. Contrary to that neutral form possessing a pair of two parallel intermolecular H bonds, only a single H bond with a comparable strength has been found in its ionized form. The vertical and adiabatic ionization potentials for the neutral complex have been determined to be about 9.40 and 8.69 eV, respectively, where ionization is mainly localized on the glycinamide fragment. Like that ionized glycinamide-formamide complex, the proton transfer in the ionized complex is characterized by a single-well potential, implying that the proton initially attached to amide N4 in the glycinamide fragment cannot be transferred to carbonyl O13 in the formic acid fragment at the geometry of the optimized complex. Copyright 2004 American Institute of Physics.

Torsion-wagging tunneling and vibrational states in hydrazine determined from its ab initio potential energy surface

NASA Astrophysics Data System (ADS)

Łodyga, Wiesław; Makarewicz, Jan

2012-05-01

Geometries, anharmonic vibrations, and torsion-wagging (TW) multiplets of hydrazine and its deuterated species are studied using high-level ab initio methods employing the second-order Møller-Plesset perturbation theory (MP2) as well as the coupled cluster singles and doubles model including connected triple corrections, CCSD(T), in conjunction with extended basis sets containing diffuse and core functions. To describe the splitting patterns caused by tunneling in TW states, the 3D potential energy surface (PES) for the large-amplitude TW modes is constructed. Stationary points in the 3D PES, including equivalent local minima and saddle points are characterized. Using this 3D PES, a flexible Hamiltonian is built numerically and then employed to solve the vibrational problem for TW coupled motion. The calculated ground state rav structure is expected to be more reliable than the experimental one that has been determined using a simplified structural model. The calculated fundamental frequencies allowed resolution of the assignment problems discussed earlier in the literature. The determined energy barriers, including the contributions from the small-amplitude vibrations, to the tunneling of the symmetric and antisymmetric wagging mode of 1997 cm-1 and 3454 cm-1, respectively, are in reasonable agreement with the empirical estimates of 2072 cm-1 and 3312 cm-1, respectively [W. Łodyga et al. J. Mol. Spectrosc. 183, 374 (1997), 10.1006/jmsp.1997.7271]. However, the empirical torsion barrier of 934 cm-1 appears to be overestimated. The ab initio calculations yield two torsion barriers: cis and trans of 744 cm-1 and 2706 cm-1, respectively. The multiplets of the excited torsion states are predicted from the refined 3D PES.

The double layers in the plasma sheet boundary layer during magnetic reconnection

NASA Astrophysics Data System (ADS)

Guo, J.; Yu, B.

2014-11-01

We studied the evolutions of double layers which appear after the magnetic reconnection through two-dimensional electromagnetic particle-in-cell simulation. The simulation results show that the double layers are formed in the plasma sheet boundary layer after magnetic reconnection. At first, the double layers which have unipolar structures are formed. And then the double layers turn into bipolar structures, which will couple with another new weak bipolar structure. Thus a new double layer or tripolar structure comes into being. The double layers found in our work are about several ten Debye lengths, which accords with the observation results. It is suggested that the electron beam formed during the magnetic reconnection is responsible for the production of the double layers.

Intersections of discrimination due to unemployment and mental health problems: the role of double stigma for job- and help-seeking behaviors.

PubMed

Staiger, Tobias; Waldmann, Tamara; Oexle, Nathalie; Wigand, Moritz; Rüsch, Nicolas

2018-05-21

The everyday lives of unemployed people with mental health problems can be affected by multiple discrimination, but studies about double stigma-an overlap of identities and experiences of discrimination-in this group are lacking. We therefore studied multiple discrimination among unemployed people with mental health problems and its consequences for job- and help-seeking behaviors. Everyday discrimination and attributions of discrimination to unemployment and/or to mental health problems were examined among 301 unemployed individuals with mental health problems. Job search self-efficacy, barriers to care, and perceived need for treatment were compared among four subgroups, depending on attributions of experienced discrimination to unemployment and to mental health problems (group i); neither to unemployment nor to mental health problems (group ii); mainly to unemployment (group iii); or mainly to mental health problems (group iv). In multiple regressions among all participants, higher levels of discrimination predicted reduced job search self-efficacy and higher barriers to care; and attributions of discrimination to unemployment were associated with increased barriers to care. In ANOVAs for subgroup comparisons, group i participants, who attributed discrimination to both unemployment and mental health problems, reported lower job search self-efficacy, more perceived stigma-related barriers to care and more need for treatment than group iii participants, as well as more stigma-related barriers to care than group iv. Multiple discrimination may affect job search and help-seeking among unemployed individuals with mental health problems. Interventions to reduce public stigma and to improve coping with multiple discrimination for this group should be developed.

Double-hybrid density-functional theory with meta-generalized-gradient approximations

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

Souvi, Sidi M. O., E-mail: sidi.souvi@irsn.fr; Sharkas, Kamal; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr

2014-02-28

We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation density functionals. We construct several variants of one-parameter double-hybrid approximations using the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA functional and test them on test sets of atomization energies and reaction barrier heights. The most accurate variant uses the uniform coordinate scaling of the density and of the kinetic energy density in the correlation functional, and improves over both standard Kohn-Sham TPSS and second-order Møller-Plesset calculations.

Barriers and facilitators to adoption of soft copy interpretation from the user perspective: Lessons learned from filmless radiology for slideless pathology

PubMed Central

Patterson, Emily S.; Rayo, Mike; Gill, Carolina; Gurcan, Metin N.

2011-01-01

Background: Adoption of digital images for pathological specimens has been slower than adoption of digital images in radiology, despite a number of anticipated advantages for digital images in pathology. In this paper, we explore the factors that might explain this slower rate of adoption. Materials and Method: Semi-structured interviews on barriers and facilitators to the adoption of digital images were conducted with two radiologists, three pathologists, and one pathologist's assistant. Results: Barriers and facilitators to adoption of digital images were reported in the areas of performance, workflow-efficiency, infrastructure, integration with other software, and exposure to digital images. The primary difference between the settings was that performance with the use of digital images as compared to the traditional method was perceived to be higher in radiology and lower in pathology. Additionally, exposure to digital images was higher in radiology than pathology, with some radiologists exclusively having been trained and/or practicing with digital images. The integration of digital images both improved and reduced efficiency in routine and non-routine workflow patterns in both settings, and was variable across the different organizations. A comparison of these findings with prior research on adoption of other health information technologies suggests that the barriers to adoption of digital images in pathology are relatively tractable. Conclusions: Improving performance using digital images in pathology would likely accelerate adoption of innovative technologies that are facilitated by the use of digital images, such as electronic imaging databases, electronic health records, double reading for challenging cases, and computer-aided diagnostic systems. PMID:21383925

Patient experiences of perioperative nutrition within an Enhanced Recovery After Surgery programme for colorectal surgery: a qualitative study.

PubMed

Short, V; Atkinson, C; Ness, A R; Thomas, S; Burden, S; Sutton, E

2016-02-01

Nutrition is an important element of the Enhanced Recovery After Surgery (ERAS) programme. Patients have previously indicated that nutrition is a key component of ERAS that requires improvement. Our aim was to explore the perioperative nutrition experiences of colorectal surgical patients to identify barriers and facilitators to the integration of nutrition within ERAS. Sixteen individuals undergoing colorectal surgery participated in a semi-structured interview between postoperative day three and hospital discharge. The topic guide was developed iteratively throughout the study; topics included preoperative counselling, carbohydrate loading, fasting and postoperative nutrition. A constant comparison technique was employed during coding, and an inductive thematic analysis was used. Validity was ensured by double coding a sample of transcripts. Findings are presented in the context of the following clinical themes: preoperative information, preoperative fasting, carbohydrate loading and nutritional drinks, postoperative diet and discharge. Individuals received too much general information which was repetitive, contradictory and not disease specific; this formed a key barrier affecting nutrition. Other barriers were negative experiences of nutritional drinks, stoma management, nausea and vomiting, and challenges from the hospital environment. Facilitators included interactions with staff, food accessibility and choice, and motivation for discharge. The key barrier to adherence of perioperative nutrition protocols was poor provision of information. Targeted information regarding postoperative diet, stoma management and coping with nausea and vomiting would be beneficial for colorectal surgical patients. Easily accessible food provided by ward staff was considered a facilitator. © 2015 The Authors. Colorectal Disease published by John Wiley & Sons Ltd on behalf of Association of Coloproctology of Great Britain and Ireland.

Superlattice barrier varactors

NASA Technical Reports Server (NTRS)

Raman, C.; Sun, J. P.; Chen, W. L.; Munns, G.; East, J.; Haddad, G.

1992-01-01

SBV (Single Barrier Varactor) diodes have been proposed as alternatives to Schottky barrier diodes for harmonic multiplier applications. However, these show a higher current than expected. The excess current is due to X valley transport in the barrier. We present experimental results showing that the use of a superlattice barrier and doping spikes in the GaAs depletion regions on either side of the barrier can reduce the excess current and improve the control of the capacitance vs. voltage characteristic. The experimental results consist of data taken from two types of device structures. The first test structure was used to study the performance of AlAs/GaAs superlattice barriers. The wafer was fabricated into 90 micron diameter mesa diodes and the resulting current vs. voltage characteristics were measured. A 10 period superlattice structure with a total thickness of approximately 400 A worked well as an electron barrier. The structure had a current density of about one A/sq cm at one volt at room temperature. The capacitance variation of these structures was small because of the design of the GaAs cladding layers. The second test structure was used to study cladding layer designs. These wafers were InGaAs and InAlAs layers lattice matched to an InP substrate. The layers have n(+) doping spikes near the barrier to increase the zero bias capacitance and control the shape of the capacitance vs. voltage characteristic. These structures have a capacitance ratio of 5:1 and an abrupt change from maximum to minimum capacitance. The measurements were made at 80 K. Based on the information obtained from these two structures, we have designed a structure that combines the low current density barrier with the improved cladding layers. The capacitance and current-voltage characteristics from this structure are presented.

The impact of aging on epithelial barriers.

PubMed

Parrish, Alan R

2017-10-02

The epithelium has many critical roles in homeostasis, including an essential responsibility in establishing tissue barriers. In addition to the fundamental role in separating internal from external environment, epithelial barriers maintain nutrient, fluid, electrolyte and metabolic waste balance in multiple organs. While, by definition, barrier function is conserved, the structure of the epithelium varies across organs. For example, the skin barrier is a squamous layer of cells with distinct structural features, while the lung barrier is composed of a very thin single cell to minimize diffusion space. With the increased focus on age-dependent alterations in organ structure and function, there is an emerging interest in the impact of age on epithelial barriers. This review will focus on the impact of aging on the epithelial barrier of several organs, including the skin, lung, gastrointestinal tract and the kidney, at a structural and functional level.

Bilayer insulator tunnel barriers for graphene-based vertical hot-electron transistors

NASA Astrophysics Data System (ADS)

Vaziri, S.; Belete, M.; Dentoni Litta, E.; Smith, A. D.; Lupina, G.; Lemme, M. C.; Östling, M.

2015-07-01

Vertical graphene-based device concepts that rely on quantum mechanical tunneling are intensely being discussed in the literature for applications in electronics and optoelectronics. In this work, the carrier transport mechanisms in semiconductor-insulator-graphene (SIG) capacitors are investigated with respect to their suitability as electron emitters in vertical graphene base transistors (GBTs). Several dielectric materials as tunnel barriers are compared, including dielectric double layers. Using bilayer dielectrics, we experimentally demonstrate significant improvements in the electron injection current by promoting Fowler-Nordheim tunneling (FNT) and step tunneling (ST) while suppressing defect mediated carrier transport. High injected tunneling current densities approaching 103 A cm-2 (limited by series resistance), and excellent current-voltage nonlinearity and asymmetry are achieved using a 1 nm thick high quality dielectric, thulium silicate (TmSiO), as the first insulator layer, and titanium dioxide (TiO2) as a high electron affinity second layer insulator. We also confirm the feasibility and effectiveness of our approach in a full GBT structure which shows dramatic improvement in the collector on-state current density with respect to the previously reported GBTs. The device design and the fabrication scheme have been selected with future CMOS process compatibility in mind. This work proposes a bilayer tunnel barrier approach as a promising candidate to be used in high performance vertical graphene-based tunneling devices.

The "real world" barriers and solutions to Candida vaccine patent prosecutions

PubMed Central

Wang, Shyh-Jen

2012-01-01

The US Patent and Trademark Office (USPTO) adopts recent patent courts’ opinions (such as KSR In re Fisher and Ariad v. Lilly) in patent examinations, which would certainly create barriers to biotech patent prosecution. To identify the barriers to Candida vaccine patent prosecution, we analyzed 99 US-granted patents from January 2001 to May 2012 related to Candida vaccines. The rejections were based on factors that included obviousness, novelty, indefiniteness, double patenting, enablement, written description and utility. Based on this investigation, we find that some of these rejections were actually avoidable, and then further provide workable solutions to avoid some of the barriers, especially those related to patentability. These principles recited in this study should also be applicable to other fields of vaccines and immunotherapeutics. PMID:22894949

Stability diagrams for the surface patterns of GaN(0001bar) as a function of Schwoebel barrier height

NASA Astrophysics Data System (ADS)

Krzyżewski, Filip; Załuska-Kotur, Magdalena A.

2017-01-01

Height and type of Schwoebel barriers (direct or inverse) decides about the character of the surface instability. Different surface morphologies are presented. Step bunches, double steps, meanders, mounds and irregular patterns emerge at the surface as a result of step (Schwoebel) barriers at some temperature or miscut values. The study was carried out on the two-component kinetic Monte Carlo (kMC) model of GaN(0001bar) surface grown in nitrogen rich conditions. Diffusion of gallium adatoms over N-polar surface is slow and nitrogen adatoms are almost immobile. We show that in such conditions surfaces remain smooth when gallium adatoms diffuse in the presence of low inverse Schwoebel barrier. It is illustrated by adequate stability diagrams for surface morphologies.

Barrier inhomogeneities and electronic transport of Pt contacts to relatively highly doped n-type 4H-SiC

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

Huang, Lingqin, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn; Wang, Dejun, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn

The barrier characteristics of Pt contacts to relatively highly doped (∼1 × 10{sup 18 }cm{sup −3}) 4H-SiC were investigated using current-voltage (I-V) and capacitance-voltage (C-V) measurements in the temperature range of 160–573 K. The barrier height and ideally factor estimated from the I-V characteristics based on the thermionic emission model are abnormally temperature-dependent, which can be explained by assuming the presence of a double Gaussian distribution (GD) of inhomogeneous barrier heights. However, in the low temperature region (160–323 K), the obtained mean barrier height according to GD is lower than the actual mean value from C-V measurement. The values of barrier height determined from themore » thermionic field emission model are well consistent with those from the C-V measurements, which suggest that the current transport process could be modified by electron tunneling at low temperatures.« less

Ab Initio Kinetics of Hydrogen Abstraction from Methyl Acetate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals.

PubMed

Tan, Ting; Yang, Xueliang; Krauter, Caroline M; Ju, Yiguang; Carter, Emily A

2015-06-18

The kinetics of hydrogen abstraction by five radicals (H, O((3)P), OH, CH3, and HO2) from methyl acetate (MA) is investigated theoretically in order to gain further understanding of certain aspects of the combustion chemistry of biodiesels, such as the effect of the ester moiety. We employ ab initio quantum chemistry methods, coupled cluster singles and doubles with perturbative triples correction (CCSD(T)) and multireference averaged coupled pair functional theory (MRACPF2), to predict chemically accurate reaction energetics. Overall, MRACPF2 predicts slightly higher barrier heights than CCSD(T) for MA + H/CH3/O/OH, but slightly lower barrier heights for hydrogen abstraction by HO2. Based on the obtained reaction energies, we also report high-pressure-limit rate constants using transition state theory (TST) in conjunction with the separable-hindered-rotor approximation, the variable reaction coordinate TST, and the multi-structure all-structure approach. The fitted modified Arrhenius expressions are provided over a temperature range of 250 to 2000 K. The predictions are in good agreement with available experimental results. Abstractions from both of the methyl groups in MA are expected to contribute to consumption of the fuel as they exhibit similar rate coefficients. The reactions involving the OH radical are predicted to have the highest rates among the five abstracting radicals, while those initiated by HO2 are expected to be the lowest.

Atomic-scale imaging of DNA using scanning tunnelling microscopy.

PubMed

Driscoll, R J; Youngquist, M G; Baldeschwieler, J D

1990-07-19

The scanning tunnelling microscope (STM) has been used to visualize DNA under water, under oil and in air. Images of single-stranded DNA have shown that submolecular resolution is possible. Here we describe atomic-resolution imaging of duplex DNA. Topographic STM images of uncoated duplex DNA on a graphite substrate obtained in ultra-high vacuum are presented that show double-helical structure, base pairs, and atomic-scale substructure. Experimental STM profiles show excellent correlation with atomic contours of the van der Waals surface of A-form DNA derived from X-ray crystallography. A comparison of variations in the barrier to quantum mechanical tunnelling (barrier-height) with atomic-scale topography shows correlation over the phosphate-sugar backbone but anticorrelation over the base pairs. This relationship may be due to the different chemical characteristics of parts of the molecule. Further investigation of this phenomenon should lead to a better understanding of the physics of imaging adsorbates with the STM and may prove useful in sequencing DNA. The improved resolution compared with previously published STM images of DNA may be attributable to ultra-high vacuum, high data-pixel density, slow scan rate, a fortuitously clean and sharp tip and/or a relatively dilute and extremely clean sample solution. This work demonstrates the potential of the STM for characterization of large biomolecular structures, but additional development will be required to make such high resolution imaging of DNA and other large molecules routine.

NMR studies of double proton transfer in hydrogen bonded cyclic N,N'-diarylformamidine dimers: conformational control, kinetic HH/HD/DD isotope effects and tunneling.

PubMed

Lopez, Juan Miguel; Männle, Ferdinand; Wawer, Iwona; Buntkowsky, Gerd; Limbach, Hans-Heinrich

2007-08-28

Using dynamic NMR spectroscopy, the kinetics of the degenerate double proton transfer in cyclic dimers of polycrystalline (15)N,(15)N'-di-(4-bromophenyl)-formamidine (DBrFA) have been studied including the kinetic HH/HD/DD isotope effects in a wide temperature range. This transfer is controlled by intermolecular interactions, which in turn are controlled by the molecular conformation and hence the molecular structure. At low temperatures, rate constants were determined by line shape analysis of (15)N NMR spectra obtained using cross-polarization (CP) and magic angle spinning (MAS). At higher temperatures, in the microsecond time scale, rate constants and kinetic isotope effects were obtained by a combination of longitudinal (15)N and (2)H relaxation measurements. (15)N CPMAS line shape analysis was also employed to study the non-degenerate double proton transfer of polycrystalline (15)N,(15)N'-diphenyl-formamidine (DPFA). The kinetic results are in excellent agreement with the kinetics of DPFA and (15)N,(15)N'-di-(4-fluorophenyl)-formamidine (DFFA) studied previously for solutions in tetrahydrofuran. Two large HH/HD and HD/DD isotope effects are observed in the whole temperature range which indicates a concerted double proton transfer mechanism in the domain of the reaction energy surface. The Arrhenius curves are non-linear indicating a tunneling mechanism. Arrhenius curve simulations were performed using the Bell-Limbach tunneling model. The role of the phenyl group conformation and hydrogen bond compression on the barrier of the proton transfer is discussed.

Tunnelling in asymmetric double-well potentials: varying initial states

NASA Astrophysics Data System (ADS)

Cordes, J. G.; Das, A. K.

2001-02-01

Tunnelling in a double-well potential has features which are not derivable through a mere extension of the concepts used in the context of a single potential barrier with no confining walls on either side. Furthermore, an asymmetric double-well potential, relevant in many contemporary areas of physics and chemistry, possesses certain distinctive aspects in contrast to the relatively simple case of a symmetric double-well potential. In this paper a self-contained numerical and analytical study of these features is reported, and a theoretical model is presented with special attention being given to a unified treatment of both the symmetric and asymmetric cases. The popularly used pair-state model is critically examined, and the important role of the initial state (which is rarely discussed in the literature) is highlighted with specific examples.

Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes.

PubMed

Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella

2017-05-02

Trinuclear versus dinuclear heterodimetallic U V O 2 + Co 2+ complexes were selectively assembled via a cation-cation interaction by tuning the ligand. The trimeric complex 2, with a linear [Co-O[double bond, length as m-dash]U[double bond, length as m-dash]O-Co] core, exhibits magnetic exchange and slow relaxation with a reversal barrier of 30.5 ± 0.9 K providing the first example of a U-Co exchange-coupled SMM.

Design of a catalyst through Fe doping of the boron cage B10H14 for CO2 hydrogenation and investigation of the catalytic character of iron hydride (Fe-H).

PubMed

Qian, Lei; Ma, Kai-Yang; Zhou, Zhong-Jun; Ma, Fang

2017-12-13

The innovative catalyst Fe@B 10 H 14 is designed through Fe doping of the boron cage B 10 H 14 and is employed to catalyze CO 2 hydrogenation using a quantum mechanical method. First, the structure of the Fe@B 10 H 14 complex is characterized through calculated 11 B NMR chemical shifts and Raman spectra, and the interactions between Fe and the four H atoms of the opening in the cage are analyzed, which show that various iron hydride (Fe-H) characteristics exist. Subsequently, the potential of Fe@B 10 H 14 as a catalyst for the hydrogenative reduction of CO 2 in the gas phase is computationally evaluated. We find that an equivalent of Fe@B 10 H 14 can consecutively reduce double CO 2 to obtain the double product HCOOH through a two-step reduction, and Fe@B 10 H 12 and Fe@B 10 H 10 are successively obtained. The Fe presents single-atom character in the reduction of CO 2 , which is different from the common iron(ii) catalyzed CO 2 reduction. The calculated total free energy barrier of the first CO 2 reduction is only 8.79 kcal mol -1 , and that of the second CO 2 reduction is 25.71 kcal mol -1 . Every reduction reaction undergoes two key transition states TSC-H and TSO-H. Moreover, the transition state of the C-H bond formation TSC-H is the rate-determining step, where the interaction between π C[double bond, length as m-dash]O * and the weak σ Fe-H bond plays an important role. Furthermore, the hydrogenations of Fe@B 10 H 12 and Fe@B 10 H 10 are investigated, which aim at determining the ability of Fe-H circulation in the Fe doped decaborane complex. We find that the hydrogenation of Fe@B 10 H 10 undergoes a one-step H 2 -adsorbed transition state TSH-adsorb with an energy barrier of 6.42 kcal mol -1 from Fe@B 10 H 12 . Comparing with the hydrogenation of Fe@B 10 H 10 , it is slightly more difficult for the hydrogenation of Fe@B 10 H 12 , where the rate-determining step is the H 2 -cleaved transition state TS2H-H with an energy barrier of 17.38 kcal mol -1 .

Reliability Modeling of Double Beam Bridge Crane

NASA Astrophysics Data System (ADS)

Han, Zhu; Tong, Yifei; Luan, Jiahui; Xiangdong, Li

2018-05-01

This paper briefly described the structure of double beam bridge crane and the basic parameters of double beam bridge crane are defined. According to the structure and system division of double beam bridge crane, the reliability architecture of double beam bridge crane system is proposed, and the reliability mathematical model is constructed.

The "real world" barriers and solutions to Candida vaccine patent prosecutions: an analysis of U.S. Patent and Trademark Office actions on related applications.

PubMed

Wang, Shyh-Jen

2012-10-01

The US Patent and Trademark Office (USPTO) adopts recent patent courts' opinions (such as KSR In re Fisher and Ariad v. Lilly) in patent examinations, which would certainly create barriers to biotech patent prosecution. To identify the barriers to Candida vaccine patent prosecution, we analyzed 99 US-granted patents from January 2001 to May 2012 related to Candida vaccines. The rejections were based on factors that included obviousness, novelty, indefiniteness, double patenting, enablement, written description and utility. Based on this investigation, we find that some of these rejections were actually avoidable, and then further provide workable solutions to avoid some of the barriers, especially those related to patentability. These principles recited in this study should also be applicable to other fields of vaccines and immunotherapeutics.

Women with disabilities making the transition back to work: Psychosocial barriers and interventions.

PubMed

Reed, Cheryl A.

1999-01-01

The economic impact of disability on employment, earnings, and education appears to be more devastating for women than for men. Women with disabilities who are making the transition either back into the workforce or into the workforce for the first time often face barriers that are unique to this population. Many researchers have described women with disabilities as having a "double disadvantage" that results in social and psychological barriers to their transition back to work. The purpose of this article is to help vocational and career development programs better address the psychosocial needs of women with disabilities by (a) describing key psychosocial barriers faced by women with disabilities in their transition back to work and (b) providing career development strategies designed to ease this transition process for women with disabilities and enhance their employment outcomes.

SLX4 Assembles a Telomere Maintenance Toolkit by Bridging Multiple Endonucleases with Telomeres

PubMed Central

Wan, Bingbing; Yin, Jinhu; Horvath, Kent; Sarkar, Jaya; Chen, Yong; Wu, Jian; Wan, Ke; Lu, Jian; Gu, Peili; Yu, Eun Young; Lue, Neal F.; Chang, Sandy

2014-01-01

Summary SLX4 interacts with several endonucleases to resolve structural barriers in DNA metabolism. SLX4 also interacts with telomeric protein TRF2 in human cells. The molecular mechanism of these interactions at telomeres remains unknown. Here, we report the crystal structure of the TRF2-binding motif of SLX4 (SLX4TBM) in complex with the TRFH domain of TRF2 (TRF2TRFH) and map the interactions of SLX4 with endonucleases SLX1, XPF, and MUS81. TRF2 recognizes a unique HxLxP motif on SLX4 via the peptide-binding site in its TRFH domain. Telomeric localization of SLX4 and associated nucleases depend on the SLX4-endonuclease and SLX4-TRF2 interactions and the protein levels of SLX4 and TRF2. SLX4 assembles an endonuclease toolkit that negatively regulates telomere length via SLX1-catalyzed nucleolytic resolution of telomere DNA structures. We propose that the SLX4-TRF2 complex serves as a double-layer scaffold bridging multiple endonucleases with telomeres for recombination-based telomere maintenance. PMID:24012755

Canadian Semiconductor Technology Conference, 6th, Ottawa, Canada, Aug. 11-13, 1992, Proceedings

NASA Astrophysics Data System (ADS)

Baribeau, Jean-Marc

1992-11-01

This volume contains papers on the growth efficiency and distribution coefficient of GaInP-InP epilayers and heterostructures, X-ray photoelectron spectroscopy studies of Ge epilayers on Si(100), and mechanical properties of silicon carbide films for X-ray lithography application. Attention is also given to fine structure in Raman spectroscopy and X-ray reflectometry and its uses for the characterization of superlattices, phase formation in Fe-Si thin-film diffusion couples, process optimization for a micromachined silicon nonreverse valve, and a numerical study of heat transport in thermally isolated flow-rate microsensors. Particular consideration is given to a versatile 2D model for InGaAsP quantum-well semiconductor lasers, gallium arsenide electronics in the marketplace, and optical channel grading in p-type Si/SiGe MOSFETs. Other papers are on ultrafast electron tunneling in a reverse-biased high-efficiency quantum well laser structure, excess currents as a result of trap-assisted tunneling in double-barrier resonant tunneling diodes, and carrier lifetimes in strained InGaAsP multiple quantum-well laser structures.

Microbiota-gut-brain axis: Interaction of gut microbes and their metabolites with host epithelial barriers.

PubMed

Bhattarai, Y

2018-06-01

The gastrointestinal barrier and the blood brain barrier represent an important line of defense to protect the underlying structures against harmful external stimuli. These host barriers are composed of epithelial and endothelial cells interconnected by tight junction proteins along with several other supporting structures. Disruption in host barrier structures has therefore been implicated in various diseases of the gastrointestinal tract and the central nervous system. While there are several factors that influence host barrier, recently there is an increasing appreciation of the role of gut microbiota and their metabolites in regulating barrier integrity. In the current issue of Neurogastroenterology and Motility, Marungruang et al. describe the effect of gastrointestinal barrier maturation on gut microbiota and the blood brain barrier adding to the growing evidence of microbiota-barrier interactions. In this mini-review I will discuss the effect of gut microbiota on host epithelial barriers and its implications for diseases associated with disrupted gut-brain axis. © 2018 John Wiley & Sons Ltd.

Regulation of feto-maternal barrier by matriptase- and PAR-2-mediated signaling is required for placental morphogenesis and mouse embryonic survival.

PubMed

Szabo, Roman; Peters, Diane E; Kosa, Peter; Camerer, Eric; Bugge, Thomas H

2014-07-01

The development of eutherian mammalian embryos is critically dependent on the selective bi-directional transport of molecules across the placenta. Here, we uncover two independent and partially redundant protease signaling pathways that include the membrane-anchored serine proteases, matriptase and prostasin, and the G protein-coupled receptor PAR-2 that mediate the establishment of a functional feto-maternal barrier. Mice with a combined matriptase and PAR-2 deficiency do not survive to term and the survival of matriptase-deficient mice heterozygous for PAR-2 is severely diminished. Embryos with the combined loss of PAR-2 and matriptase or PAR-2 and the matriptase partner protease, prostasin, uniformly die on or before embryonic day 14.5. Despite the extensive co-localization of matriptase, prostasin, and PAR-2 in embryonic epithelia, the overall macroscopic and histological analysis of the double-deficient embryos did not reveal any obvious developmental abnormalities. In agreement with this, the conditional deletion of matriptase from the embryo proper did not affect the prenatal development or survival of PAR-2-deficient mice, indicating that the critical redundant functions of matriptase/prostasin and PAR-2 are limited to extraembryonic tissues. Indeed, placentas of the double-deficient animals showed decreased vascularization, and the ability of placental epithelium to establish a functional feto-maternal barrier was severely diminished. Interestingly, molecular analysis suggested that the barrier defect was associated with a selective deficiency in the expression of the tight junction protein, claudin-1. Our results reveal unexpected complementary roles of matriptase-prostasin- and PAR-2-dependent proteolytic signaling in the establishment of placental epithelial barrier function and overall embryonic survival.

Regulation of Feto-Maternal Barrier by Matriptase- and PAR-2-Mediated Signaling Is Required for Placental Morphogenesis and Mouse Embryonic Survival

PubMed Central

Szabo, Roman; Peters, Diane E.; Kosa, Peter; Camerer, Eric; Bugge, Thomas H.

2014-01-01

The development of eutherian mammalian embryos is critically dependent on the selective bi-directional transport of molecules across the placenta. Here, we uncover two independent and partially redundant protease signaling pathways that include the membrane-anchored serine proteases, matriptase and prostasin, and the G protein-coupled receptor PAR-2 that mediate the establishment of a functional feto-maternal barrier. Mice with a combined matriptase and PAR-2 deficiency do not survive to term and the survival of matriptase-deficient mice heterozygous for PAR-2 is severely diminished. Embryos with the combined loss of PAR-2 and matriptase or PAR-2 and the matriptase partner protease, prostasin, uniformly die on or before embryonic day 14.5. Despite the extensive co-localization of matriptase, prostasin, and PAR-2 in embryonic epithelia, the overall macroscopic and histological analysis of the double-deficient embryos did not reveal any obvious developmental abnormalities. In agreement with this, the conditional deletion of matriptase from the embryo proper did not affect the prenatal development or survival of PAR-2-deficient mice, indicating that the critical redundant functions of matriptase/prostasin and PAR-2 are limited to extraembryonic tissues. Indeed, placentas of the double-deficient animals showed decreased vascularization, and the ability of placental epithelium to establish a functional feto-maternal barrier was severely diminished. Interestingly, molecular analysis suggested that the barrier defect was associated with a selective deficiency in the expression of the tight junction protein, claudin-1. Our results reveal unexpected complementary roles of matriptase-prostasin- and PAR-2-dependent proteolytic signaling in the establishment of placental epithelial barrier function and overall embryonic survival. PMID:25078604

Effects of interfacial stability between electron transporting layer and cathode on the degradation process of organic light-emitting diodes

NASA Astrophysics Data System (ADS)

Chu, Ta-Ya; Lee, Yong-Han; Song, Ok-Keun

2007-11-01

The authors have demonstrated that the increase of electron injection barrier height between tris(8-hydroxyquinoline)aluminum (Alq3) and LiF /Al cathode is one of the most critical parameters to determine the reliability of organic light-emitting diode with the typical structure of indium tin oxide/N ,N'-bis(naphthalen-1-yl)-N ,N'-bis(phenyl) benzidine/Alq3/LiF /Al. The electrical properties of several devices (hole only, electron only, and integrated double-layered devices) have been measured in the function of operating time to analyze the bulk and interface property changes. Bulk properties of trap energy and mobility in an organic layer have been estimated by using trap-charge-limited currents and transient electroluminescence measurements.

Switching between attractive and repulsive Coulomb-interaction-mediated drag in an ambipolar GaAs/AlGaAs bilayer device

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

Zheng, B.; Croxall, A. F.; Waldie, J., E-mail: jw353@cam.ac.uk

2016-02-08

We present measurements of Coulomb drag in an ambipolar GaAs/AlGaAs double quantum well structure that can be configured as both an electron-hole bilayer and a hole-hole bilayer, with an insulating barrier of only 10 nm between the two quantum wells. Coulomb drag resistivity is a direct measure of the strength of interlayer particle-particle interactions. We explore the strongly interacting regime of low carrier densities (2D interaction parameter r{sub s} up to 14). Our ambipolar device design allows a comparison between the effects of the attractive electron-hole and repulsive hole-hole interactions and also shows the effects of the different effective masses ofmore » electrons and holes in GaAs.« less

A computational study of a novel graphene nanoribbon field effect transistor

NASA Astrophysics Data System (ADS)

Ghoreishi, Seyed Saleh; Yousefi, Reza

2017-04-01

In this paper, using gate structure engineering and modification of channel dopant profile, we propose a new double gate graphene nanoribbon field effect transistor (DG-GNRFET) mainly to suppress the band-to-band tunneling (BTBT) of carriers. In the new device, the intrinsic part of the channel is replaced by an intrinsic-lightly doped-intrinsic (I -N--I) configuration in a way that only the intrinsic parts are covered by the gate contact. Transport characteristics of the device are investigated theoretically using the nonequilibrium Green’s function (NEGF) formalism. Numerical simulations show that off-current, ambipolar behavior, on/off-current ratio and the switching characteristics such as intrinsic delay and power-delay product are improved. In addition, the new device demonstrates better sub-threshold swing and less drain-induced barrier lowering (DIBL).

Cervical cancer educational pamphlets: Do they miss the mark for Mexican immigrant women's needs?

PubMed

Hunter, Jennifer L

2005-11-01

The rate of invasive cervical cancer in US Hispanic women is nearly doubled that of non-Hispanics. Using in-depth interviews and content/grade level analysis of educational materials, this study explores the relevance of cervical cancer education materials to the needs of Mexican immigrant women. It also addresses health literacy issues that create barriers to learning. Findings show aspects of language, content, reading level, structure, and visual images in 22 cervical cancer pamphlets from 11 health care sites in a Midwest city were not relevant to the learning needs or health literacy levels of local Mexican immigrant women. Further research is recommended to establish an evidence base regarding optimal presentation of key elements of the cervical cancer educational message for Mexican immigrant women.

Lithographically defined few-electron silicon quantum dots based on a silicon-on-insulator substrate

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

Horibe, Kosuke; Oda, Shunri; Kodera, Tetsuo, E-mail: kodera.t.ac@m.titech.ac.jp

2015-02-23

Silicon quantum dot (QD) devices with a proximal single-electron transistor (SET) charge sensor have been fabricated in a metal-oxide-semiconductor structure based on a silicon-on-insulator substrate. The charge state of the QDs was clearly read out using the charge sensor via the SET current. The lithographically defined small QDs enabled clear observation of the few-electron regime of a single QD and a double QD by charge sensing. Tunnel coupling on tunnel barriers of the QDs can be controlled by tuning the top-gate voltages, which can be used for manipulation of the spin quantum bit via exchange interaction between tunnel-coupled QDs. Themore » lithographically defined silicon QD device reported here is technologically simple and does not require electrical gates to create QD confinement potentials, which is advantageous for the integration of complicated constructs such as multiple QD structures with SET charge sensors for the purpose of spin-based quantum computing.« less

Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods

NASA Astrophysics Data System (ADS)

Rode, Michał F.; Sobolewski, Andrzej L.

2014-02-01

Effect of chemical substitutions to the molecular structure of 3-hydroxy-picolinic acid on photo-switching properties of the system operating on excited-state intramolecular double proton transfer (d-ESIPT) process [M. F. Rode and A. L. Sobolewski, Chem. Phys. 409, 41 (2012)] was studied with the aid of electronic structure theory methods. It was shown that simultaneous application of electron-donating and electron-withdrawing substitutions at certain positions of the molecular frame increases the height of the S0-state tautomerization barrier (ensuring thermal stability of isomers) and facilitates a barrierless access to the S1/S0 conical intersection from the Franck-Condon region of the S1 potential-energy surface. Results of study point to the conclusion that the most challenging issue for practical design of a fast molecular photoswitch based on d-ESIPT phenomenon are to ensure a selectivity of optical excitation of a given tautomeric form of the system.

Estimation of carrier leakage in InGaN light emitting diodes from photocurrent measurements

NASA Astrophysics Data System (ADS)

Hafiz, Shopan; Zhang, Fan; Monavarian, Morteza; Okur, Serdal; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

2014-02-01

Carrier transport in double heterostructure (DH) InGaN light emitting diodes (LEDs) was investigated using photocurrent measurements performed under CW HeCd laser (325 nm wavelength) excitation. The effect of electron injector thicknesses was investigated by monitoring the excitation density and applied bias dependent escape of photogenerated carriers from the active region and through energy band structure and carrier transport simulations using Silvaco Atlas. For quad (4x) 3-nm DH LED structures incorporating staircase electron injectors (SEIs), photocurrent increased with SEI thickness due to reduced effective barrier opposing carrier escape from the active region as confirmed by simulations. The carrier leakage percentile at -3V bias and 280 Wcm-2 optical excitation density increased from 24 % to 55 % when In 0.04Ga0.96N + In0.08Ga0.92N SEI thickness was increased from 4 nm + 4 nm to 30 nm + 30 nm. The increased leakage with thicker SEI correlates with increased carrier overflow under forward bias.

Gate-controlled quantum collimation in nanocolumn resonant tunneling transistors.

PubMed

Wensorra, J; Lepsa, M I; Trellenkamp, S; Moers, J; Indlekofer, K M; Lüth, H

2009-11-18

Nanoscaled resonant tunneling transistors (RTT) based on MBE-grown GaAs/AlAs double-barrier quantum well (DBQW) structures have been fabricated by a top-down approach using electron-beam lithographic definition of the vertical nanocolumns. In the preparation process, a reproducible mask alignment accuracy of below 10 nm has been achieved and the all-around metal gate at the level of the DBQW structure has been positioned at a distance of about 20 nm relative to the semiconductor nanocolumn. Due to the specific doping profile n++/i/n++ along the transistor nanocolumn, a particular confining potential is established for devices with diameters smaller than 70 nm, which causes a collimation effect of the propagating electrons. Under these conditions, room temperature optimum performance of the nano-RTTs is achieved with peak-to-valley current ratios above 2 and a peak current swing factor of about 6 for gate voltages between -6 and +6 V. These values indicate that our nano-RTTs can be successfully used in low power fast nanoelectronic circuits.

Barriers to activity and participation for stroke survivors in rural China.

PubMed

Zhang, Lifang; Yan, Tiebin; You, Liming; Li, Kun

2015-07-01

To investigate environmental barriers reported by stroke survivors in the rural areas of China and to determine the impact of environmental barriers on activity and participation relative to demographic characteristics and body functioning. Cross-sectional survey. Structured interviews in the participants' homes. Community-dwelling stroke survivors in the rural areas of China (N=639). Not applicable. Activity and participation (Chinese version of the World Health Organization Disability Assessment Schedule 2.0), environmental barriers (Craig Hospital Inventory of Environmental Factors), neurological function (Canadian Neurological Scale), cognitive function (Abbreviated Mental Test), and depression (6-item Hamilton Rating Scale for Depression). Physical/structural barriers are the major impediment to activity and participation for these participants (odds ratio, 1.86 and 1.99 for activity and participation, respectively; P<.01). Services/assistance barriers primarily impede participation rather than activity (odds ratio, 1.58 in participation; P<.05). Physical/structural and services/assistance barriers were considered the dominant barriers to activity and participation for stroke survivors in the rural areas of China. Attitudinal/support and policy barriers did not emerge as serious concerns. To generate an enabling environment, physical/structural and services/assistance barriers are the environmental barriers to be decreased and eliminated first. Copyright © 2015 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

Transfer matrix approach to electron transport in monolayer MoS2/MoO x heterostructures

NASA Astrophysics Data System (ADS)

Li, Gen

2018-05-01

Oxygen plasma treatment can introduce oxidation into monolayer MoS2 to transfer MoS2 into MoO x , causing the formation of MoS2/MoO x heterostructures. We find the MoS2/MoO x heterostructures have the similar geometry compared with GaAs/Ga1‑x Al x As semiconductor superlattice. Thus, We employ the established transfer matrix method to analyse the electron transport in the MoS2/MoO x heterostructures with double-well and step-well geometries. We also considere the coupling between transverse and longitudinal kinetic energy because the electron effective mass changes spatially in the MoS2/MoO x heterostructures. We find the resonant peaks show red shift with the increasing of transverse momentum, which is similar to the previous work studying the transverse-momentum-dependent transmission in GaAs/Ga1‑x Al x As double-barrier structure. We find electric field can enhance the magnitude of peaks and intensify the coupling between longitudinal and transverse momentums. Moreover, higher bias is applied to optimize resonant tunnelling condition to show negative differential effect can be observed in the MoS2/MoO x system.

Structural barriers to ART adherence in Southern Africa: challenges and potential ways forward

PubMed Central

KAGEE, A.; REMIEN, R.H.; BERKMAN, A.; HOFFMAN, S.; CAMPOS, L.; SWARTZ, L.

2010-01-01

Structural barriers to antiretroviral treatment (ART) adherence are economic, institutional, political and cultural factors, that collectively influence the extent to which persons living with HIV follow their medication regimens. We identify three sets of structural barriers to ART adherence that are salient in Southern Africa: poverty-related, institutional, and political and cultural. Examples of poverty-related barriers are competing demands in the context of resource-constrained settings, the lack of transport infrastructure, food insecurity, the role of disability grants and poor social support. Examples of institutional factors are logistical barriers, overburdened health care facilities, limited access to mental health services and difficulties in ensuring adequate counseling. Examples of political and cultural barriers are controversies in the provision of treatment for AIDS, migration, traditional beliefs about HIV and AIDS, poor health literacy and gender inequalities. In forging a way forward, we identify ways in which individuals, communities and health care systems may overcome some of these structural barriers. Finally, we make recommendations for further research on structural barriers to ART adherence. In all likelihood, enhancing adherence to ART requires the efforts of a variety of disciplines, including public health, psychology, anthropology, sociology and medicine. PMID:20509066

Thermal barrier coatings application in diesel engines

NASA Technical Reports Server (NTRS)

Fairbanks, J. W.

1995-01-01

Commercial use of thermal barrier coatings in diesel engines began in the mid 70's by Dr,. Ingard Kvernes at the Central Institute for Industrial Research in Oslo, Norway. Dr. Kvernes attributed attack on diesel engine valves and piston crowns encountered in marine diesel engines in Norwegian ships as hot-corrosion attributed to a reduced quality of residual fuel. His solution was to coat these components to reduce metal temperature below the threshold of aggressive hot-corrosion and also to provide protection. The Department of Energy has supported thermal barrier coating development for diesel engine applications. In the Clean Diesel - 50 Percent Efficient (CD-50) engine for the year 2000, thermal barrier coatings will be used on piston crowns and possibly other components. The primary purpose of the thermal barrier coatings will be to reduce thermal fatigue as the engine peak cylinder pressure will nearly be doubled. As the coatings result in higher available energy in the exhaust gas, efficiency gains are achieved through use of this energy by turbochargers, turbocompounding or thermoelectric generators.

Origin of double-line structure in nonsequential double ionization by few-cycle laser pulses

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

Huang, Cheng, E-mail: huangcheng@swu.edu.cn; Zhong, Mingmin; Wu, Zhengmao

2016-07-28

We investigate nonsequential double ionization (NSDI) of molecules by few-cycle laser pulses at the laser intensity of 1.2–1.5 × 10{sup 14} W/cm{sup 2} using the classical ensemble model. The same double-line structure as the lower intensity (1.0 × 10{sup 14} W/cm{sup 2}) is also observed in the correlated electron momentum spectra for 1.2–1.4 × 10{sup 14} W/cm{sup 2}. However, in contrast to the lower intensity where NSDI proceeds only through the recollision-induced double excitation with subsequent ionization (RDESI) mechanism, here, the recollision-induced excitation with subsequent ionization (RESI) mechanism has a more significant contribution to NSDI. This indicates that RDESI ismore » not necessary for the formation of the double-line structure and RESI can give rise to the same type of structure independently. Furthermore, we explore the ultrafast dynamics underlying the formation of the double-line structure in RESI.« less

Optical Studies of Semiconductor Heterostructures: Measurements of Tunneling Times, and Studies of Strained Superlattices.

NASA Astrophysics Data System (ADS)

Jackson, Michael Kevin

1991-05-01

This thesis describes experimental optical studies of semiconductor heterostructures. The topic is introduced in Chapter 1. In Chapter 2 we describe measurements of tunneling escape times for carriers photoexcited in the quantum well of an undoped GaAs/AlAs/GaAs/AlAs/GaAs double -barrier heterostructure. The first experimental measurements of the tunneling escape times for both electrons and heavy holes were made using the two-beam technique of photoluminescence excitation correlation spectroscopy (PECS). Heavy holes were observed to escape much more rapidly than expected from a simple one-band calculation of the heavy-hold tunneling escape time. This can be explained by considering a four -band model for holes. Calculations indicate that mixing of the quantum well heavy- and light-hole levels, due to dispersion in the plane of the quantum well, can lead to significantly faster heavy hole escape at the experimental carrier densities and temperatures. Chapter 3 describes a study of the effect of indirect (X-point) levels in the AlAs barriers on the tunneling escape of electrons in undoped double-barrier heterostructures. The X-point levels affect the escape of photoexcited electrons in devices where the energy of the electron state confined in the GaAs quantum well is nearly equal to, or higher than, that of the X-point levels in the AlAs barriers. In Chapter 4, we present time-resolved photoluminescence and photocurrent studies of electrically biased double -barrier heterostructures. Studies of the photoluminescence indicate that transport of photoexcited carriers from the electrodes into the quantum well occurs. The PECS technique has been extended to a study of photocurrents in these devices; results indicate that this technique may be useful for the study of devices that cannot be studied with photoluminescence. Chapter 5 describes a study of the accomodation of lattice mismatch in CdTe/ZnTe strained layer superlattices. Using resonance Raman scattering, the energies of the ZnTe-like phonons were determined in a series of superlattices. The ZnTe-like phonon energies decrease with increasing average CdTe content, indicative of the increasing strain of the ZnTe layers, and in agreement with calculations assuming a free-standing superlattice.

Practical protective tools for occupational exposure: 1) double focus spectacles for the aged with highly refracted glass lens 2) remodeled barrier for radiation protection.

PubMed

Kurokawa, S; Yabe, S; Takamura, A; Ishizaki, H; Aizawa, S

2000-11-30

Two practical protective tools for occupational exposure for neurointerventional radiologists are presented. The first purpose of this study was to investigate the effectiveness of double focus spectacles for the aged with a highly refracted glass lens (special spectacles for the aged) for radiation protection of the crystalline lens of the eye in comparison with other spectacles on the market, based on the measurement of film density which was obtained by exposure of X-ray through those spectacles. As a result of the film densitometry mentioned above, the effectiveness of special spectacles for the aged in radiation protection was nearly equal to the effectiveness of a goggle type shield which is made with a 0.07 mm lead-equivalent plastic lens. The second purpose of this study was to investigate the effectiveness of the protective barrier, which we remodeled for cerebral angiography or neuroendovascular therapy, for radiation exposure, based on the measurement in a simulated study with a head phantom, and on the measurement of radiation exposure in operaters during procedures of clinical cases. In the experimental study radiation exposure in supposed position of the crystalline lens was reduced to about one third and radiation exposure in supposed position of the gonadal glands was reduced to about one seventh, compared to radiation exposure without employing the barrier. The radiation exposure was monitored at the left breast of three radiologists, in 215 cases of cerebral angiography. Employing the barrier in cerebral angiography, average equivalent dose at the left breast measured 1.49mu Sv during 10 min of fluoroscopy. In three kinds of neuroendovascular therapy in 40 cases, radiation exposure in an operator was monitored in the same fashion and the dose was recorded less than the result reported in previous papers in which any protective barrier have not been employed in the procedure (1,2). As a result, the two above mentioned protective tools are considered practical in clinical usage and very effective to reduce radiation exposure in an operator of interventional neuroradiolgy which may sometimes require many hours to complete the therapy under extended fluoroscopic time. 1) The first topic of this report is double focus spectacles for the aged with a highly refracted glass lens (special spectacles for the aged).

An enhanced lumped element electrical model of a double barrier memristive device

NASA Astrophysics Data System (ADS)

Solan, Enver; Dirkmann, Sven; Hansen, Mirko; Schroeder, Dietmar; Kohlstedt, Hermann; Ziegler, Martin; Mussenbrock, Thomas; Ochs, Karlheinz

2017-05-01

The massive parallel approach of neuromorphic circuits leads to effective methods for solving complex problems. It has turned out that resistive switching devices with a continuous resistance range are potential candidates for such applications. These devices are memristive systems—nonlinear resistors with memory. They are fabricated in nanotechnology and hence parameter spread during fabrication may aggravate reproducible analyses. This issue makes simulation models of memristive devices worthwhile. Kinetic Monte-Carlo simulations based on a distributed model of the device can be used to understand the underlying physical and chemical phenomena. However, such simulations are very time-consuming and neither convenient for investigations of whole circuits nor for real-time applications, e.g. emulation purposes. Instead, a concentrated model of the device can be used for both fast simulations and real-time applications, respectively. We introduce an enhanced electrical model of a valence change mechanism (VCM) based double barrier memristive device (DBMD) with a continuous resistance range. This device consists of an ultra-thin memristive layer sandwiched between a tunnel barrier and a Schottky-contact. The introduced model leads to very fast simulations by using usual circuit simulation tools while maintaining physically meaningful parameters. Kinetic Monte-Carlo simulations based on a distributed model and experimental data have been utilized as references to verify the concentrated model.

Simulation and optimization of deep violet InGaN double quantum well laser

NASA Astrophysics Data System (ADS)

Alahyarizadeh, Gh.; Ghazai, A. J.; Rahmani, R.; Mahmodi, H.; Hassan, Z.

2012-03-01

The performance characteristics of a deep violet InGaN double quantum well laser diode (LD) such as threshold current ( Ith), external differential quantum efficiency (DQE) and output power have been investigated using the Integrated System Engineering Technical Computer Aided Design (ISE-TCAD) software. As well as its operating parameters such as internal quantum efficiency ( ηi), internal loss ( αi) and transparency threshold current density ( J0) have been studied. Since, we are interested to investigate the mentioned characteristics and parameters independent of well and barrier thickness, therefore to reach a desired output wavelength, the indium mole fraction of wells and barriers has been varied consequently. The indium mole fractions of well and barrier layers have been considered 0.08 and 0.0, respectively. Some important parameters such as Al mole fraction of the electronic blocking layer (EBL) and cavity length which affect performance characteristics were also investigated. The optimum values of the Al mole fraction and cavity length in this study are 0.15 and 400 μm, respectively. The lowest threshold current, the highest DQE and output power which obtained at the emission wavelength of 391.5 nm are 43.199 mA, 44.99% and 10.334 mW, respectively.

Dry-vault storage of spent fuel at the CASCAD facility

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

Baillif, L.; Guay, M.

A new modular dry storage vault concept using vertical metallic wells cooled by natural convection has been developed by the Commissariat a l'Energie Atomique and Societe Generale pour les Techniques Nouvelles to accommodate special fuels for high-level wastes. Basic specifications and design criteria have been followed to guarantee a double containment system and cooling to maintain the fuel below an acceptable temperature. The double containment is provided by two static barriers: At the reactor, fuels are placed in containers playing the role of the first barrier; the storage wells constitute the second barrier. Spent fuel placed in wells is cooledmore » by natural convection: a boundary layer is created along the outer side of the well. The heated air rises along the well leading to a thermosiphon flow that extracts the heat released. For heat transfer, studies, computations, and experimental tests have been carried out to calculate and determine the temperature of the containers and the fuel rod temperatures in various situations. The CASCAD vault storage can be applied to light water reactor (LWR) fuels without any difficulties if two requirements are satisfied: (1) Spend fuels have to be inserted in tight canisters. (2) Spent fuels have to be received only after a minimum decay time of 5 yr.« less

Novel attributes of bandstructure effect on the performance of germanium Schottky barrier MOSFET

NASA Astrophysics Data System (ADS)

Ahangari, Zahra

2018-07-01

A detailed study of the bandstructure effect on the performance of a double-gate germanium Schottky barrier MOSFET (Ge-SBFET) is investigated. An accurate calculation of the thickness-dependent 2D bandstructure is employed within a 20 orbital sp 3 d 5 s* tight-binding formalism, and the quantum transport of the carriers is elucidated based on the non-equilibrium Green’s function formalism. Quantum confinement considerably changes the bandstructure profile of the Ge-SBFET and causes the energy difference of the | {{Γ }}-L| valleys to rearrange. For a channel thickness of about 1.5 nm, the two-fold X 2 type valleys with major axes at the {{Γ }} point form a subband with minimum energy, and the | {{Γ }}-L| energy split is reduced to 13 meV, which compensates for the lack of density of states in the nanoscale regime. Moreover, the strong transverse confinement of the ultra-thin body Ge-SBFET increases the effective Schottky barrier height and a parabolic potential profile with discrete resonant states is formed along the current transport direction, mainly at low drain voltages. Resonant tunnelling creates oscillations in the transfer characteristic, especially at low temperatures and at a reduced value of drain voltages. The impact of the physical and structural parameters, which may affect the resonant tunnelling in a Ge-SBFET, is thoroughly analysed. The results in this paper pave the way towards elucidating the applications of nanoscale Ge-SBFETs.

A novel nanoscaled Schottky barrier based transmission gate and its digital circuit applications

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Loan, Sajad A.; Alamoud, Abdulrahman M.

2017-04-01

In this work we propose and simulate a compact nanoscaled transmission gate (TG) employing a single Schottky barrier based transistor in the transmission path and a single transistor based Sajad-Sunil-Schottky (SSS) device as an inverter. Therefore, just two transistors are employed to realize a complete transmission gate which normally consumes four transistors in the conventional technology. The transistors used to realize the transmission path and the SSS inverter in the proposed TG are the double gate Schottky barrier devices, employing stacks of two metal silicides, platinum silicide (PtSi) and erbium silicide (ErSi). It has been observed that the realization of the TG gate by the proposed technology has resulted into a compact structure, with reduced component count, junctions, interconnections and regions in comparison to the conventional technology. The further focus of this work is on the application part of the proposed technology. So for the first time, the proposed technology has been used to realize various combinational circuits, like a two input AND gate, a 2:1 multiplexer and a two input XOR circuits. It has been observed that the transistor count has got reduced by half in a TG, two input AND gate, 2:1 multiplexer and in a two input XOR gate. Therefore, a significant reduction in transistor count and area requirement can be achieved by using the proposed technology. The proposed technology can be also used to perform the compact realization of other combinational and sequential circuitry in future.

Piezo-phototronic effect enhanced UV photodetector based on CuI/ZnO double-shell grown on flexible copper microwire.

PubMed

Liu, Jingyu; Zhang, Yang; Liu, Caihong; Peng, Mingzeng; Yu, Aifang; Kou, Jinzong; Liu, Wei; Zhai, Junyi; Liu, Juan

2016-12-01

In this work, we present a facile, low-cost, and effective approach to fabricate the UV photodetector with a CuI/ZnO double-shell nanostructure which was grown on common copper microwire. The enhanced performances of Cu/CuI/ZnO core/double-shell microwire photodetector resulted from the formation of heterojunction. Benefiting from the piezo-phototronic effect, the presentation of piezocharges can lower the barrier height and facilitate the charge transport across heterojunction. The photosensing abilities of the Cu/CuI/ZnO core/double-shell microwire detector are investigated under different UV light densities and strain conditions. We demonstrate the I-V characteristic of the as-prepared core/double-shell device; it is quite sensitive to applied strain, which indicates that the piezo-phototronic effect plays an essential role in facilitating charge carrier transport across the CuI/ZnO heterojunction, then the performance of the device is further boosted under external strain.

Container lid gasket protective strip for double door transfer system

DOEpatents

Allen, Jr., Burgess M

2013-02-19

An apparatus and a process for forming a protective barrier seal along a "ring of concern" of a transfer container used with double door systems is provided. A protective substrate is supplied between a "ring of concern" and a safety cover in which an adhesive layer of the substrate engages the "ring of concern". A compressive foam strip along an opposite side of the substrate engages a safety cover such that a compressive force is maintained between the "ring of concern" and the adhesive layer of the substrate.

The Role of Structural Barriers in Risky Sexual Behavior, Victimization and Readiness to Change HIV/STI-Related Risk Behavior Among Transgender Women.

PubMed

Raiford, Jerris L; Hall, Grace J; Taylor, Raekiela D; Bimbi, David S; Parsons, Jeffrey T

2016-10-01

This study examines the role of structural barriers experienced by a community-based sample of 63 HIV-positive and negative transgender women that may elevate HIV infection and transmission risks. Separate hierarchical linear multiple regression analyses tested the association between structural barriers (e.g., unemployment, lack of food, shelter) and condomless anal sex acts, abuse, and readiness to change risk behavior, while controlling for other related factors. Among this primarily Hispanic and African-American sample, HIV-positive and negative transgender women experienced a similar number of structural barriers and experiencing structural barriers was significantly associated with an increased number of condomless anal sex acts (p = .002), victimization (p = .000) and a decreased readiness to change HIV-related risk behavior (p = .014). Structural-level interventions are needed to address this elevated risk among this underserved and hard-to-reach population.

Tunneling rates in electron transport through double-barrier molecular junctions in a scanning tunneling microscope

PubMed Central

Nazin, G. V.; Wu, S. W.; Ho, W.

2005-01-01

The scanning tunneling microscope enables atomic-scale measurements of electron transport through individual molecules. Copper phthalocyanine and magnesium porphine molecules adsorbed on a thin oxide film grown on the NiAl(110) surface were probed. The single-molecule junctions contained two tunneling barriers, vacuum gap, and oxide film. Differential conductance spectroscopy shows that electron transport occurs via vibronic states of the molecules. The intensity of spectral peaks corresponding to the individual vibronic states depends on the relative electron tunneling rates through the two barriers of the junction, as found by varying the vacuum gap tunneling rate by changing the height of the scanning tunneling microscope tip above the molecule. A simple, sequential tunneling model explains the observed trends. PMID:15956189

Tunneling rates in electron transport through double-barrier molecular junctions in a scanning tunneling microscope.

PubMed

Nazin, G V; Wu, S W; Ho, W

2005-06-21

The scanning tunneling microscope enables atomic-scale measurements of electron transport through individual molecules. Copper phthalocyanine and magnesium porphine molecules adsorbed on a thin oxide film grown on the NiAl(110) surface were probed. The single-molecule junctions contained two tunneling barriers, vacuum gap, and oxide film. Differential conductance spectroscopy shows that electron transport occurs via vibronic states of the molecules. The intensity of spectral peaks corresponding to the individual vibronic states depends on the relative electron tunneling rates through the two barriers of the junction, as found by varying the vacuum gap tunneling rate by changing the height of the scanning tunneling microscope tip above the molecule. A simple, sequential tunneling model explains the observed trends.

Mentorship and Mitigation of Culture Shock: Foreign-Trained Pharmacists in Canada

ERIC Educational Resources Information Center

Austin, Zubin

2005-01-01

Immigrants with professional qualifications face unique challenges in adapting personally and professionally to new environments. This "double culture shock" experience may result in disengagement from the professional community due to perceived barriers to integration, with subsequent negative impact on employment prospects and…

Bound magnetic polaron in a semimagnetic double quantum well

NASA Astrophysics Data System (ADS)

Kalpana, P.; Jayakumar, K.

2017-09-01

The effect of different combinations of the concentration of Mn2+ ion in the Quantum well Cd1-xinMnxin Te and the barrier Cd1-xoutMnxout Te on the Bound Magnetic Polaron (BMP) in a Diluted Magnetic Semiconductors (DMS) Double Quantum Well (DQW) has been investigated. The Schrodinger equation is solved variationally in the effective mass approximation through which the Spin Polaronic Shift (SPS) due to the formation of BMP has been estimated for various locations of the donor impurity in the DQW. The results show that the effect of the increase of Mn2+ ion composition with different combinations on SPS is predominant for On Centre Well (OCW) impurity when compared to all other impurity locations when there is no application of magnetic field (γ = 0), γ being a dimensionless parameter for the magnetic field, and the same is predominant for On Centre Barrier (OCB) impurity with the application of external magnetic field (γ = 0.15).

Shallow melt apparatus for semicontinuous czochralski crystal growth

DOEpatents

Wang, Tihu; Ciszek, Theodore F.

2006-01-10

In a single crystal pulling apparatus for providing a Czochralski crystal growth process, the improvement of a shallow melt In a single crystal pulling apparatus for providing a Czochralski crystal growth process, the improvement of a shallow melt crucible (20) to eliminate the necessity supplying a large quantity of feed stock materials that had to be preloaded in a deep crucible to grow a large ingot, comprising a gas tight container a crucible with a deepened periphery (25) to prevent snapping of a shallow melt and reduce turbulent melt convection; source supply means for adding source material to the semiconductor melt; a double barrier (23) to minimize heat transfer between the deepened periphery (25) and the shallow melt in the growth compartment; offset holes (24) in the double barrier (23) to increase melt travel length between the deepened periphery (25) and the shallow growth compartment; and the interface heater/heat sink (22) to control the interface shape and crystal growth rate.

Retractable barrier strip

DOEpatents

Marts, Donna J.; Barker, Stacey G.; Wowczuk, Andrew; Vellenoweth, Thomas E.

2002-01-01

A portable barrier strip having retractable tire-puncture spikes for puncturing a vehicle tire. The tire-puncture spikes have an armed position for puncturing a tire and a retracted position for not puncturing a tire. The strip comprises a plurality of barrier blocks having the tire-puncture spikes removably disposed in a shaft that is rotatably disposed in each barrier block. The plurality of barrier blocks hare hingedly interconnected by complementary hinges integrally formed into the side of each barrier block which allow the strip to be rolled for easy storage and retrieval, but which prevent irregular or back bending of the strip. The shafts of adjacent barrier blocks are pivotally interconnected via a double hinged universal joint to accommodate irregularities in a roadway surface and to transmit torsional motion of the shaft from block to block. A single flexshaft cable is connected to the shaft of an end block to allow a user to selectively cause the shafts of a plurality of adjacently connected barrier blocks to rotate the tire-puncture spikes to the armed position for puncturing a vehicle tire, and to the retracted position for not puncturing the tire. The flexshaft is provided with a resiliently biased retracting mechanism, and a release latch for allowing the spikes to be quickly retracted after the intended vehicle tire is punctured.

Glomerular basement membrane injuries in IgA nephropathy evaluated by double immunostaining for α5(IV) and α2(IV) chains of type IV collagen and low-vacuum scanning electron microscopy.

PubMed

Masuda, Yukinari; Yamanaka, Nobuaki; Ishikawa, Arimi; Kataoka, Mitue; Arai, Takashi; Wakamatsu, Kyoko; Kuwahara, Naomi; Nagahama, Kiyotaka; Ichikawa, Kaori; Shimizu, Akira

2015-06-01

The glomerulus contains well-developed capillaries, which are at risk of injury due to high hydrostatic pressure, hyperfiltration, hypertension and inflammation. However, the pathological alterations of the injured glomerular basement membrane (GBM), the main component of the glomerular filtration barrier, are still uncertain in cases of glomerulonephritis. We examined the alterations of the GBM in 50 renal biopsy cases with IgA nephropathy (31.8 ± 17.6 years old) using double immunostaining for the α2(IV) and α5(IV) chains of type IV collagen, and examining the ultrastructural alterations by transmission electron microscopy (TEM) and low-vacuum scanning electron microscopy (LV-SEM). The GBM of IgA nephropathy cases showed various morphological and qualitative alterations. In the TEM findings, thinning, gaps, rupture, thickening with a lamellar and reticular structure and double contours were detected in the GBM. Double immunostaining for α5(IV) and α2(IV) showed thickening of the GBM with reduced α5(IV) and increased α2(IV), or mosaic images of α5(IV) and α2(IV), and holes, fractures, spiny projections and rupture of α5(IV) in the GBM. In addition, LV-SEM showed an etched image and multiple holes in a widening and wavy GBM. These findings might be associated with the development of a brittle GBM in IgA nephropathy. Glomerular basement membrane alterations were frequently noted in IgA nephropathy, and were easily evaluated by double immunostaining for α2(IV) and α5(IV) of type IV collagen and LV-SEM. The application of these analyses to human renal biopsy specimens may enhance our understanding of the alterations of the GBM that occur in human glomerular diseases.

Characterization of point defects in monolayer arsenene

NASA Astrophysics Data System (ADS)

Liang, Xiongyi; Ng, Siu-Pang; Ding, Ning; Wu, Chi-Man Lawrence

2018-06-01

Topological defects that are inevitably found in 2D materials can dramatically affect their properties. Using density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) method, the structural, thermodynamic, electronic and magnetic properties of six types of typical point defects in arsenene, i.e. the Stone-Wales defect, single and double vacancies and adatoms, were systemically studied. It was found that these defects were all more easily generated in arsenene with lower formation energies than those with graphene and silicene. Stone-Wales defects can be transformed from pristine arsenene by overcoming a barrier of 2.19 eV and single vacancy defects tend to coalesce into double vacancy defects by diffusion. However, a type of adatom defect does not exhibit kinetic stability at room temperature. In addition, SV defects and another type of adatom defect can remarkably affect the electronic and magnetic properties of arsenene, e.g. they can introduce localized states near the Fermi level, as well as a strongly local magnetic moment due to dangling bond and unpaired electron. Furthermore, the simulated scanning tunneling microscopy (STM) and Raman spectroscopy were computed and the types of point defects can be fully characterized by correlating the STM images and Raman spectra to the defective atomistic structures. The results provide significant insights to the effect of defects in arsenene for potential applications, as well as identifications of two helpful tools (STM and Raman spectroscopy) to distinguish the type of defects in arsenene for future experiments.

Concerns and Structural Barriers Associated with WIC Participation among WIC-Eligible Women.

PubMed

Liu, Cindy H; Liu, Heidi

2016-09-01

To examine sociodemographic status, psychosocial concerns, and structural barriers associated with women's participation in the USDA's Women, Infants, and Children (WIC) program among those eligible for the program. A total of 1,634 White, African-American, Hispanic, and Asian/Pacific Islander (A/PI) women from the New York City area completed the Pregnancy Risk Assessment Monitoring System (PRAMS) from 2004 to 2007, a population-based survey. Data on WIC eligibility and participation, sociodemographic details, unintended pregnancy, social support, and structural barriers were evaluated. Hispanics and Blacks were 4.1 and 2.4 times more likely to participate, respectively, in the WIC program relative to Whites. Mothers reporting unplanned pregnancies, fewer social supports, and more structural barriers (e.g., transportation) were less likely to participate in WIC. Race-stratified analyses revealed race/ethnic differences in the pattern of barriers; unintended pregnancy and structural problems were barriers associated with WIC participation particularly for A/PI. WIC-eligible women with unintended pregnancies and fewer social supports tend to participate in WIC, but those who experience more structural barriers are less likely to participate. A/PI women may face specific challenges to WIC participation. Careful attention is needed to understand the unique attitudes and behaviors in the process of participating in WIC. © 2016 Wiley Periodicals, Inc.

Quantitative structure-activation barrier relationship modeling for Diels-Alder ligations utilizing quantum chemical structural descriptors.

PubMed

Nandi, Sisir; Monesi, Alessandro; Drgan, Viktor; Merzel, Franci; Novič, Marjana

2013-10-30

In the present study, we show the correlation of quantum chemical structural descriptors with the activation barriers of the Diels-Alder ligations. A set of 72 non-catalysed Diels-Alder reactions were subjected to quantitative structure-activation barrier relationship (QSABR) under the framework of theoretical quantum chemical descriptors calculated solely from the structures of diene and dienophile reactants. Experimental activation barrier data were obtained from literature. Descriptors were computed using Hartree-Fock theory using 6-31G(d) basis set as implemented in Gaussian 09 software. Variable selection and model development were carried out by stepwise multiple linear regression methodology. Predictive performance of the quantitative structure-activation barrier relationship (QSABR) model was assessed by training and test set concept and by calculating leave-one-out cross-validated Q2 and predictive R2 values. The QSABR model can explain and predict 86.5% and 80% of the variances, respectively, in the activation energy barrier training data. Alternatively, a neural network model based on back propagation of errors was developed to assess the nonlinearity of the sought correlations between theoretical descriptors and experimental reaction barriers. A reasonable predictability for the activation barrier of the test set reactions was obtained, which enabled an exploration and interpretation of the significant variables responsible for Diels-Alder interaction between dienes and dienophiles. Thus, studies in the direction of QSABR modelling that provide efficient and fast prediction of activation barriers of the Diels-Alder reactions turn out to be a meaningful alternative to transition state theory based computation.

Coulomb double helical structure

NASA Astrophysics Data System (ADS)

Kamimura, Tetsuo; Ishihara, Osamu

2012-01-01

Structures of Coulomb clusters formed by dust particles in a plasma are studied by numerical simulation. Our study reveals the presence of various types of self-organized structures of a cluster confined in a prolate spheroidal electrostatic potential. The stable configurations depend on a prolateness parameter for the confining potential as well as on the number of dust particles in a cluster. One-dimensional string, two-dimensional zigzag structure and three-dimensional double helical structure are found as a result of the transition controlled by the prolateness parameter. The formation of stable double helical structures resulted from the transition associated with the instability of angular perturbations on double strings. Analytical perturbation study supports the findings of numerical simulations.

Ductile all-cellulose nanocomposite films fabricated from core-shell structured cellulose nanofibrils.

PubMed

Larsson, Per A; Berglund, Lars A; Wågberg, Lars

2014-06-09

Cellulosic materials have many desirable properties such as high mechanical strength and low oxygen permeability and will be an important component in a sustainable biomaterial-based society, but unfortunately they often lack the ductility and formability offered by petroleum-based materials. This paper describes the fabrication and characterization of nanocomposite films made of core-shell modified cellulose nanofibrils (CNFs) surrounded by a shell of ductile dialcohol cellulose, created by heterogeneous periodate oxidation followed by borohydride reduction of the native cellulose in the external parts of the individual fibrils. The oxidation with periodate selectively produces dialdehyde cellulose, and the process does not increase the charge density of the material. Yet the modified cellulose fibers could easily be homogenized to CNFs. Prior to film fabrication, the CNF was shown by atomic force microscopy to be 0.5-2 μm long and 4-10 nm wide. The films were fabricated by filtration, and besides uniaxial tensile testing at different relative humidities, they were characterized by scanning electron microscopy and oxygen permeability. The strength-at-break at 23 °C and 50% RH was 175 MPa, and the films could, before rupture, be strained, mainly by plastic deformation, to about 15% and 37% at 50% RH and 90% RH, respectively. This moisture plasticization was further utilized to form a demonstrator consisting of a double-curved structure with a nominal strain of 24% over the curvature. At a relative humidity of 80%, the films still acted as a good oxygen barrier, having an oxygen permeability of 5.5 mL·μL/(m(2)·24 h·kPa). These properties indicate that this new material has a potential for use as a barrier in complex-shaped structures and hence ultimately reduce the need for petroleum-based plastics.

Stabilization of the Nitric Oxide (NO) Prodrugs and Anti-Cancer Leads, PABA/NO and Double JS-K through Incorporation into PEG-Protected Nanoparticles

PubMed Central

Kumar, Varun; Hong, Sam Y.; Maciag, Anna E.; Saavedra, Joseph E.; Adamson, Douglas H.; Prud'homme, Robert K.; Keefer, Larry K.; Chakrapani, Harinath

2009-01-01

Here we report the stabilization of the nitric oxide (NO) prodrugs and anti-cancer lead compounds, PABA/NO (O2-{2,4-dinitro-5-[4-(N-methylamino)benzoyloxy]phenyl} 1-(N,N-dimethylamino)diazen-1-ium-1,2-diolate) and “Double JS-K” (1,5-bis{[1-[(4-ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diol-2-ato]-2,4-dinitrobenzene), through their incorporation into polymer-protected nanoparticles. The prodrugs were formulated in block copolymer-stabilized nanoparticles with sizes from 220 to 450 nm by a novel rapid precipitation process. The block copolymers, with polyethylene glycol (PEG) soluble blocks, provide a steric barrier against NO prodrug activation by glutathione. Too rapid activation and NO release has been a major barrier to effective administration of this class of compounds. The nanoparticle stabilized PABA/NO from attack by glutathione as evidenced by a significant increase in time taken for 50% decomposition from 15 min (unformulated) to 5 h (formulated); in the case of Double JS-K, the 50% decomposition time was extended from 4.5 min (unformulated) to 40 min (formulated). The more hydrophobic PABA/NO produced more stable nanoparticles and correspondingly more extended release times in comparison with Double JS-K. The hydrophobic blocks of the polymer were either polystyrene or polylactide. Both blocks produced nanoparticles of approximately the same size and release kinetics. This combination of PEG-protected nanoparticles with sizes appropriate for cancer targeting by enhanced permeation and retention (EPR) and delayed release of NO may afford enhanced therapeutic benefit. PMID:20000791

Stabilization of the nitric oxide (NO) prodrugs and anticancer leads, PABA/NO and Double JS-K, through incorporation into PEG-protected nanoparticles.

PubMed

Kumar, Varun; Hong, Sam Y; Maciag, Anna E; Saavedra, Joseph E; Adamson, Douglas H; Prud'homme, Robert K; Keefer, Larry K; Chakrapani, Harinath

2010-02-01

We report the stabilization of the nitric oxide (NO) prodrugs and anticancer lead compounds, PABA/NO (O(2)-{2,4-dinitro-5-[4-(N-methylamino)benzoyloxy]phenyl} 1-(N,N-dimethylamino)diazen-1-ium-1,2-diolate) and "Double JS-K" 1,5-bis-{1-[(4-ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diol-2-ato}-2,4-dinitrobenzene, through their incorporation into polymer-protected nanoparticles. The prodrugs were formulated in block copolymer-stabilized nanoparticles with sizes from 220 to 450 nm by a novel rapid precipitation process. The block copolymers, with polyethylene glycol (PEG) soluble blocks, provide a steric barrier against NO prodrug activation by glutathione. Too rapid activation and NO release has been a major barrier to effective administration of this class of compounds. The nanoparticle stabilized PABA/NO are protected from attack by glutathione as evidenced by a significant increase in time taken for 50% decomposition from 15 min (unformulated) to 5 h (formulated); in the case of Double JS-K, the 50% decomposition time was extended from 4.5 min (unformulated) to 40 min (formulated). The more hydrophobic PABA/NO produced more stable nanoparticles and correspondingly more extended release times in comparison with Double JS-K. The hydrophobic blocks of the polymer were either polystyrene or polylactide. Both blocks produced nanoparticles of approximately the same size and release kinetics. This combination of PEG-protected nanoparticles with sizes appropriate for cancer targeting by enhanced permeation and retention (EPR) and delayed release of NO may afford enhanced therapeutic benefit.

Working the kinks out of nucleosomal DNA

PubMed Central

Olson, Wilma K.; Zhurkin, Victor B.

2011-01-01

Condensation of DNA in the nucleosome takes advantage of its double-helical architecture. The DNA deforms at sites where the base pairs face the histone octamer. The largest so-called kink-and-slide deformations occur in the vicinity of arginines that penetrate the minor groove. Nucleosome structures formed from the 601 positioning sequence differ subtly from those incorporating an AT-rich human α-satellite DNA. Restraints imposed by the histone arginines on the displacement of base pairs can modulate the sequence-dependent deformability of DNA and potentially contribute to the unique features of the different nucleosomes. Steric barriers mimicking constraints found in the nucleosome induce the simulated large-scale rearrangement of canonical B-DNA to kink-and-slide states. The pathway to these states shows non-harmonic behavior consistent with bending profiles inferred from AFM measurements. PMID:21482100

Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer.

PubMed

Mendieta-Moreno, Jesús I; Trabada, Daniel G; Mendieta, Jesús; Lewis, James P; Gómez-Puertas, Paulino; Ortega, José

2016-11-03

The absorption of ultraviolet radiation by DNA may result in harmful genetic lesions that affect DNA replication and transcription, ultimately causing mutations, cancer, and/or cell death. We analyze the most abundant photochemical reaction in DNA, the cyclobutane thymine dimer, using hybrid quantum mechanics/molecular mechanics (QM/MM) techniques and QM/MM nonadiabatic molecular dynamics. We find that, due to its double helix structure, DNA presents a free energy barrier between nonreactive and reactive conformations leading to the photolesion. Moreover, our nonadiabatic simulations show that most of the photoexcited reactive conformations return to standard B-DNA conformations after an ultrafast nonradiative decay to the ground state. This work highlights the importance of dynamical effects (free energy, excited-state dynamics) for the study of photochemical reactions in biological systems.

Comparison of various decentralised structural and cavity feedback control strategies for transmitted noise reduction through a double panel structure

NASA Astrophysics Data System (ADS)

Ho, Jen-Hsuan; Berkhoff, Arthur

2014-03-01

This paper compares various decentralised control strategies, including structural and acoustic actuator-sensor configuration designs, to reduce noise transmission through a double panel structure. The comparison is based on identical control stability indexes. The double panel structure consists of two panels with air in between and offers the advantages of low sound transmission at high frequencies, low heat transmission, and low weight. The double panel structure is widely used, such as in the aerospace and automotive industries. Nevertheless, the resonance of the cavity and the poor sound transmission loss at low frequencies limit the double panel's noise control performance. Applying active structural acoustic control to the panels or active noise control to the cavity has been discussed in many papers. In this paper, the resonances of the panels and the cavity are considered simultaneously to further reduce the transmitted noise through an existing double panel structure. A structural-acoustic coupled model is developed to investigate and compare various structural control and cavity control methods. Numerical analysis and real-time control results show that structural control should be applied to both panels. Three types of cavity control sources are presented and compared. The results indicate that the largest noise reduction is obtained with cavity control by loudspeakers modified to operate as incident pressure sources.

Simulation of plasma double-layer structures

NASA Technical Reports Server (NTRS)

Borovsky, J. E.; Joyce, G.

1982-01-01

Electrostatic plasma double layers are numerically simulated by means of a magnetized 2 1/2 dimensional particle in cell method. The investigation of planar double layers indicates that these one dimensional potential structures are susceptible to periodic disruption by instabilities in the low potential plasmas. Only a slight increase in the double layer thickness with an increase in its obliqueness to the magnetic field is observed. Weak magnetization results in the double layer electric field alignment of accelerated particles and strong magnetization results in their magnetic field alignment. The numerical simulations of spatially periodic two dimensional double layers also exhibit cyclical instability. A morphological invariance in two dimensional double layers with respect to the degree of magnetization implies that the potential structures scale with Debye lengths rather than with gyroradii. Electron beam excited electrostatic electron cyclotron waves and (ion beam driven) solitary waves are present in the plasmas adjacent to the double layers.

Double gloving to reduce surgical cross-infection.

PubMed

Tanner, J; Parkinson, H

2002-01-01

The invasive nature of surgery, with its increased exposure to blood, means that during surgery there is a high risk of transfer of pathogens. Pathogens can be transferred through contact between surgical patients and the surgical team, resulting in post-operative or blood borne infections in patients or blood borne infections in the surgical team. Both patients and the surgical team need to be protected from this risk. This risk can be reduced by implementing protective barriers such as wearing surgical gloves. Wearing two pairs of surgical gloves, as opposed to one pair, is considered to provide an additional barrier and further reduce the risk of contamination. The primary objective of this review was to determine if double gloving (wearing two pairs of gloves), rather than single gloving, reduces the number of post-operative or blood borne infections in surgical patients or blood borne infections in the surgical team. The secondary objective of this review was to determine if double gloving, rather than single gloving, reduces the number of perforations to the innermost pair of surgical gloves. The innermost gloves (next to skin) compared with the outermost gloves are considered to be the last barrier between the patient and the surgical team. The reviewers searched the Cochrane Wounds Group Specialised Trials Register, MEDLINE, CINAHL, EMBASE and the Cochrane Controlled Trials Register. Glove manufacturing companies and professional organisations were also contacted. Randomised controlled trials involving: single gloving, double gloving, glove liners or coloured puncture indicator systems. Both reviewers independently assessed the relevance and quality of each trial. Trials to be included were cross checked and authenticated by both reviewers. Data was extracted by one reviewer and cross checked for accuracy by the second reviewer. Two trials were found which addressed the primary outcome. A total of 18 randomised controlled trials which measured glove perforations were identified and included in the review. DOUBLE GLOVING (wearing two pairs of latex gloves). Nine trials compared single latex gloves versus double latex gloves. These found no difference in the number of perforations between the single latex gloves and the outermost pair of the double latex gloves, but the number of perforations to the double latex-innermost glove was significantly reduced when two pairs of latex gloves were worn. ORTHOPAEDIC GLOVES (thicker than standard latex gloves). One trial compared single latex orthopaedic gloves with double latex gloves. This showed there was no difference in the number of perforations to the innermost gloves when wearing double latex gloves compared with a single pair of latex orthopaedic gloves. INDICATOR GLOVES (coloured latex gloves worn underneath latex gloves). Three trials compared double latex gloves versus double latex indicator gloves. These trials showed similar numbers of perforations to both the innermost and the outermost gloves for both gloving groups. Perforations to the outermost gloves were detected more easily when double latex indicator gloves were worn. Wearing double latex indicator gloves did not increase the detection of perforations to the innermost gloves. GLOVE LINERS (an insert worn between two pairs of latex gloves). Two trials compared double latex gloves versus double latex gloves with liners. These trials showed a significant reduction in the number of perforations to the innermost glove when a glove liner was worn between two pairs of latex gloves. CLOTH GLOVES (cloth gloves worn on top of latex gloves). Two trials compared double latex gloves versus latex inner with cloth outer gloves. These trials showed that wearing a cloth outer glove significantly reduced the number of perforations to the innermost latex glove. STEEL WEAVE GLOVES (steel weave gloves worn on top of latex gloves). One trial compared double latex gloves versus latex inner with steel weave outer gloves. This trial showed no reduction in the number of perforations to the innermost glove when wearing a steel weave outer glove. Wearing two pairs of latex gloves significantly reduces the number of perforations to the innermost glove. This evidence comes from trials undertaken in 'low risk' surgical specialties, that is specialties which did not include orthopaedic joint surgery. Wearing two pairs of latex gloves does not cause the glove wearer to sustain more perforations to their outermost glove. Wearing double latex indicator gloves enables the glove wearer to detect perforations to the outermost glove more easily than when wearing double latex gloves. However wearing a double latex indicator system will not assist with the detection of perforations to the innermost glove, nor reduce the number of perforations to either the outermost or the innermost glove. Wearing a glove liner between two pairs of latex gloves to undertake joint replacement surgery significantly reduces the number of perforations to the innermost glove compared with double latex gloves only. Wearing cloth outer gloves to undertake joint replacement surgery significantly reduces the number of perforations to the innermost glove compared with wearing double latex gloves. Wearing steel weave outer gloves to undertake joint replacement surgery does not reduce the number of perforations to innermost gloves compared with double latex gloves.

Electrochemical detection of single molecules using abiotic nanopores having electrically tunable dimensions

DOEpatents

Sansinena, Jose-Maria [Los Alamos, NM; Redondo, Antonio [Los Alamos, NM; Olazabal, Virginia [Los Alamos, NM; Hoffbauer, Mark A [Los Alamos, NM; Akhadov, Elshan A [Los Alamos, NM

2009-12-29

A barrier structure for use in an electrochemical stochastic membrane sensor for single molecule detection. The sensor is based upon inorganic nanopores having electrically tunable dimensions. The inorganic nanopores are formed from inorganic materials and an electrically conductive polymer. Methods of making the barrier structure and sensing single molecules using the barrier structure are also described.

Electrochemical detection of single molecules using abiotic nanopores having electrically tunable dimensions

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

Sansinena, Jose-Maria; Redondo, Antonio; Olazabal, Virginia

2017-09-12

A barrier structure for use in an electrochemical stochastic membrane sensor for single molecule detection. The sensor is based upon inorganic nanopores having electrically tunable dimensions. The inorganic nanopores are formed from inorganic materials and an electrically conductive polymer. Methods of making the barrier structure and sensing single molecules using the barrier structure are also described.

Electrochemical detection of single molecules using abiotic nanopores having electrically tunable dimensions

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

Sansinena, Jose-Maria; Redondo, Antonio; Olazabal, Virginia

2017-07-18

A barrier structure for use in an electrochemical stochastic membrane sensor for single molecule detection. The sensor is based upon inorganic nanopores having electrically tunable dimensions. The inorganic nanopores are formed from inorganic materials and an electrically conductive polymer. Methods of making the barrier structure and sensing single molecules using the barrier structure are also described.

Electrochemical detection of single molecules using abiotic nanopores having electrically tunable dimensions

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

Sansinena, Jose-Maria; Redondo, Antonio; Olazabal, Virginia

A barrier structure for use in an electrochemical stochastic membrane sensor for single molecule detection. The sensor is based upon inorganic nanopores having electrically tunable dimensions. The inorganic nanopores are formed from inorganic materials and an electrically conductive polymer. Methods of making the barrier structure and sensing single molecules using the barrier structure are also described.

Andreev reflection enhancement in semiconductor-superconductor structures

NASA Astrophysics Data System (ADS)

Bouscher, Shlomi; Winik, Roni; Hayat, Alex

2018-02-01

We develop a theoretical approach for modeling a wide range of semiconductor-superconductor structures with arbitrary potential barriers and a spatially dependent superconducting order parameter. We demonstrate asymmetry in the conductance spectrum as a result of a Schottky barrier shape. We further show that the Andreev reflection process can be significantly enhanced through resonant tunneling with appropriate barrier configuration, which can incorporate the Schottky barrier as a contributing component of the device. Moreover, we show that resonant tunneling can be achieved in superlattice structures as well. These theoretically demonstrated effects along with our modeling approach enable much more efficient Cooper pair injection into semiconductor-superconductor structures, including superconducting optoelectronic devices.

Structural barriers at the workplace for employees with vision and locomotor disabilities in New Delhi, India.

PubMed

Saigal, Neha; Narayan, Rajeev

2014-01-01

India, a signatory to the United Nations Convention on the Rights of Persons with Disabilities (UNCRPD), has 2.21% of people with disabilities to the total population of which 26% are employed (Census 2011 and 2001). Accessibility was introduced for the first time in 1995 under The Persons with Disabilities (Equal Opportunities, Protection of Rights and Full Participation) Act. Article 9 of UNCRPD promotes barrier-free environment on an equal basis with others. Despite the legislation and the UN convention, structural barriers continue to be one of the largest barriers posing concern for PwDs at their workplace. To identify various physicall barriers limiting accessibility of PWDs in the formal sector in Delhi. Quantitative descriptive research design. Random sample was drawn. Structural barriers create difficulty in accessing basic amenities such as canteens, toilets etc. Disability is a human rights issue. An employee with disability is entitled to dignified life. Effective implementation of Article 9 and 27 of UNCRPD will pave a way for removing structural barriers at workplace.

Re-Entry Women: Special Programs for Special Populations. Field Evaluation Draft.

ERIC Educational Resources Information Center

Hall, Roberta M.; Gleaves, Francelia D.

This pamphlet provides information on what higher education institutions can do to accomodate women over 25 who have interrupted their education for several years and are now entering or re-entering postsecondary institutions. Topics discussed include institutional attitudes, double discrimination, institutional invisibility, and barriers to…

Formation of superheavy elements in the capture of very heavy ions at high excitation energies

NASA Astrophysics Data System (ADS)

Royer, G.

2013-05-01

The potential barriers governing the reactions 58Fe+244Pu, 238U+64Ni, and 238U+72Ge have been determined from a liquid-drop model taking into account the proximity energy, shell energies, rotational energy, and deformation of the incoming nuclei in the quasimolecular shape valley. Double-humped potential barriers appear in these entrance channels. The external saddle-point corresponds to two touching ellipsoidal nuclei when the shell and pairing effects are taken into account, while the inner barrier is due to the shell effects at the vicinity of the spherical shape of the composite system. Between them, a large potential pocket exists and persists at very high angular momenta allowing the capture of very heavy ions at high excitation energies.

Production of atmospheric pressure diffuse nanosecond pulsed dielectric barrier discharge using the array needles-plate electrode in air

NASA Astrophysics Data System (ADS)

Yang, De-zheng; Wang, Wen-chun; Jia, Li; Nie, Dong-xia; Shi, Heng-chao

2011-04-01

In this paper, a bidirectional high pulse voltage with 20 ns rising time is employed to generate an atmospheric pressure diffuse dielectric barrier discharge using the array needles-plate electrode configuration. Both double needle and multiple needle electrode configurations nanosecond pulsed dielectric barrier discharges are investigated. It is found that a diffuse discharge plasma with low gas temperature can be obtained, and the plasma volume increases with the increase of the pulse peak voltage, but remains almost constant with the increase of the pulse repetition rate. In addition to showing the potential application on a topographically nonuniform surface treatment of the discharge, the multiple needle-plate electrode configuration with different needle-plate electrode gaps are also employed to generate diffuse discharge plasma.

Bifurcation structure of successive torus doubling

NASA Astrophysics Data System (ADS)

Sekikawa, Munehisa; Inaba, Naohiko; Yoshinaga, Tetsuya; Tsubouchi, Takashi

2006-01-01

The authors discuss the “embryology” of successive torus doubling via the bifurcation theory, and assert that the coupled map of a logistic map and a circle map has a structure capable of generating infinite number of torus doublings.

Stacking fault induced tunnel barrier in platelet graphite nanofiber

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

Lan, Yann-Wen, E-mail: chiidong@phys.sinica.edu.tw, E-mail: ywlan@phys.sinica.edu.tw; Chang, Yuan-Chih; Chang, Chia-Seng

A correlation study using image inspection and electrical characterization of platelet graphite nanofiber devices is conducted. Close transmission electron microscopy and diffraction pattern inspection reveal layers with inflection angles appearing in otherwise perfectly stacked graphene platelets, separating nanofibers into two domains. Electrical measurement gives a stability diagram consisting of alternating small-large Coulomb blockade diamonds, suggesting that there are two charging islands coupled together through a tunnel junction. Based on these two findings, we propose that a stacking fault can behave as a tunnel barrier for conducting electrons and is responsible for the observed double-island single electron transistor characteristics.

Geothermal Project Database Supporting Barriers and Viability Analysis for Development by 2020 Timeline

DOE Data Explorer

Anna Wall

2014-10-21

This data provides the underlying project-level analysis and data sources complied in response to the DOE request to determine the amount of geothermal capacity that could be available to meet the President's request to double renewable energy capacity by 2020. The enclosed data contains compiled data on individual project names and locations (by geothermal area and region), ownership, estimated nameplate capacity, and project status, and also contains inferred data on the barriers and viability of the project to meet a 2020 development timeline. The analysis of this data is discussed in the attached NREL report.

46 CFR 91.40-3 - Drydock examination, internal structural examination, cargo tank internal examination, and...

Code of Federal Regulations, 2014 CFR

2014-10-01

... independent tanks 3 Wood hull ship and barge Unmanned deck cargo barge 4 Unmanned double hull freight barge 5....40-3(a)—Salt Water Service Vessels Examination Intervals in Years Single hull ship and barge Double... hull structure. 5 Applicable to unmanned/non-permissively manned double hull freight barges (double...

46 CFR 91.40-3 - Drydock examination, internal structural examination, cargo tank internal examination, and...

Code of Federal Regulations, 2012 CFR

2012-10-01

... independent tanks 3 Wood hull ship and barge Unmanned deck cargo barge 4 Unmanned double hull freight barge 5....40-3(a)—Salt Water Service Vessels Examination Intervals in Years Single hull ship and barge Double... hull structure. 5 Applicable to unmanned/non-permissively manned double hull freight barges (double...

46 CFR 91.40-3 - Drydock examination, internal structural examination, cargo tank internal examination, and...

Code of Federal Regulations, 2013 CFR

2013-10-01

... independent tanks 3 Wood hull ship and barge Unmanned deck cargo barge 4 Unmanned double hull freight barge 5....40-3(a)—Salt Water Service Vessels Examination Intervals in Years Single hull ship and barge Double... hull structure. 5 Applicable to unmanned/non-permissively manned double hull freight barges (double...

46 CFR 91.40-3 - Drydock examination, internal structural examination, cargo tank internal examination, and...

Code of Federal Regulations, 2011 CFR

2011-10-01

... independent tanks 3 Wood hull ship and barge Unmanned deck cargo barge 4 Unmanned double hull freight barge 5....40-3(a)—Salt Water Service Vessels Examination Intervals in Years Single hull ship and barge Double... hull structure. 5 Applicable to unmanned/non-permissively manned double hull freight barges (double...

Numerical simulation of tunneling through arbitrary potential barriers applied on MIM and MIIM rectenna diodes

NASA Astrophysics Data System (ADS)

Abdolkader, Tarek M.; Shaker, Ahmed; Alahmadi, A. N. M.

2018-07-01

With the continuous miniaturization of electronic devices, quantum-mechanical effects such as tunneling become more effective in many device applications. In this paper, a numerical simulation tool is developed under a MATLAB environment to calculate the tunneling probability and current through an arbitrary potential barrier comparing three different numerical techniques: the finite difference method, transfer matrix method, and transmission line method. For benchmarking, the tool is applied to many case studies such as the rectangular single barrier, rectangular double barrier, and continuous bell-shaped potential barrier, each compared to analytical solutions and giving the dependence of the error on the number of mesh points. In addition, a thorough study of the J ‑ V characteristics of MIM and MIIM diodes, used as rectifiers for rectenna solar cells, is presented and simulations are compared to experimental results showing satisfactory agreement. On the undergraduate level, the tool provides a deeper insight for students to compare numerical techniques used to solve various tunneling problems and helps students to choose a suitable technique for a certain application.

46 CFR 91.40-3 - Drydock examination, internal structural examination, cargo tank internal examination, and...

Code of Federal Regulations, 2010 CFR

2010-10-01

... hull barge with internal framing 1 Double hull barge with external framing 2 Single hull barge with..., ends, and bottoms) when the structural framing is on the internal tank surface. 2 Applicable to double hull tank barges (double sides, ends, and bottoms) when the structural framing is on the external tank...

Large-scale fabrication of linear low density polyethylene/layered double hydroxides composite films with enhanced heat retention, thermal, mechanical, optical and water vapor barrier properties

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

Xie, Jiazhuo; Zhang, Kun; Zhao, Qinghua

Novel LDH intercalated with organic aliphatic long-chain anion was large-scale synthesized innovatively by high-energy ball milling in one pot. The linear low density polyethylene (LLDPE)/layered double hydroxides (LDH) composite films with enhanced heat retention, thermal, mechanical, optical and water vapor barrier properties were fabricated by melt blending and blowing process. FT IR, XRD, SEM results show that LDH particles were dispersed uniformly in the LLDPE composite films. Particularly, LLDPE composite film with 1% LDH exhibited the optimal performance among all the composite films with a 60.36% enhancement in the water vapor barrier property and a 45.73 °C increase in themore » temperature of maximum mass loss rate compared with pure LLDPE film. Furthermore, the improved infrared absorbance (1180–914 cm{sup −1}) of LLDPE/LDH films revealed the significant enhancement of heat retention. Therefore, this study prompts the application of LLDPE/LDH films as agricultural films with superior heat retention. - Graphical abstract: The fabrication process of LLDPE/LDH composite films. - Highlights: • LDH with basal spacing of 4.07 nm was synthesized by high-energy ball milling. • LLDPE composite films with homogeneous LDH dispersion were fabricated. • The properties of LLDPE/LDH composite films were improved. • LLDPE/LDH composite films show superior heat retention property.« less

Shells, orbit bifurcations, and symmetry restorations in Fermi systems

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

Magner, A. G., E-mail: magner@kinr.kiev.ua; Koliesnik, M. V.; Arita, K.

The periodic-orbit theory based on the improved stationary-phase method within the phase-space path integral approach is presented for the semiclassical description of the nuclear shell structure, concerning themain topics of the fruitful activity ofV.G. Soloviev. We apply this theory to study bifurcations and symmetry breaking phenomena in a radial power-law potential which is close to the realistic Woods–Saxon one up to about the Fermi energy. Using the realistic parametrization of nuclear shapes we explain the origin of the double-humped fission barrier and the asymmetry in the fission isomer shapes by the bifurcations of periodic orbits. The semiclassical origin of themore » oblate–prolate shape asymmetry and tetrahedral shapes is also suggested within the improved periodic-orbit approach. The enhancement of shell structures at some surface diffuseness and deformation parameters of such shapes are explained by existence of the simple local bifurcations and new non-local bridge-orbit bifurcations in integrable and partially integrable Fermi-systems. We obtained good agreement between the semiclassical and quantum shell-structure components of the level density and energy for several surface diffuseness and deformation parameters of the potentials, including their symmetry breaking and bifurcation values.« less

Nonlinear electron transport mobility in asymmetric wide quantum well structure

NASA Astrophysics Data System (ADS)

Nayak, Rasmita K.; Das, Sudhakar; Panda, Ajit K.; Sahu, Trinath

2018-05-01

The nonlinearity of multisubband electron mobility µ in a GaAs/AlxGa1-xAs wide quantum well structure is studied by varying the well width w and doping concentration Nd b (Nd t ) lying in the bottom (top) barrier. The electrons diffuse into the well and accumulate near the interfaces forming two sheets of coupled two dimensional electron gases equivalent to a double quantum well structure. We show that interchange of doping concentrations N db and N dt lead to the enhancement of µ as a function of w as long as N dt > N db , even though the surface electron density remains unaltered. Further, keeping Nd b unchanged, variation of Nd t leads to nonlinearity in µ near the resonance of subband states at Nd t = Nd b at which the subband energy levels exhibit anticrossing. The variation of µ becomes prominent by increasing the well width and resonant doping concentration. The nonlinearity in µ is mostly because of the change in the interface roughness scattering potential through intersubband effects due to the substantial changes in the distributions of the subband wave functions around resonance. Our results of nonmonotonic variation of µ can be utilized for low temperature coupled quantum well devices.

Structure and dynamics of double helical DNA in torsion angle hyperspace: a molecular mechanics approach.

PubMed

Borkar, Aditi; Ghosh, Indira; Bhattacharyya, Dhananjay

2010-04-01

Analysis of the conformational space populated by the torsion angles and the correlation between the conformational energy and the sequence of DNA are important for fully understanding DNA structure and function. Presence of seven variable torsion angles about single covalent bonds in DNA main chain puts a big challenge for such analysis. We have carried out restrained energy minimization studies for four representative dinucleosides, namely d(ApA):d(TpT), d(CpG):d(CpG), d(GpC):d(GpC) and d(CpA):d(TpG) to determine the energy hyperspace of DNA in context to the values of the torsion angles and the structural properties of the DNA conformations populating the favorable regions of this energy hyperspace. The torsion angles were manipulated by constraining their values at the reference points and then performing energy minimization. The energy minima obtained on the potential energy contour plots mostly correspond to the conformations populated in crystal structures of DNA. Some novel favorable conformations that are not present in crystal structure data are also found. The plots also suggest few low energy routes for conformational transitions or the associated energy barrier heights. Analyses of base pairing and stacking possibility reveal structural changes accompanying these transitions as well as the flexibility of different base steps towards variations in different torsion angles.

Fabricating Bis(phthalocyaninato) Terbium SIM into Tetrakis(phthalocyaninato) Terbium SMM with Enhanced Performance through Sodium Coordination.

PubMed

Chen, Yuxiang; Liu, Chao; Ma, Fang; Qi, Dongdong; Liu, Qingyun; Sun, Hao-Ling; Jiang, Jianzhuang

2018-04-23

The non-peripherally substituted 1,4,8,11,15,18,22,25-octa(butoxy)-phthalocyanine-involved unsymmetrical heteroleptic bis(phthalocyaninato) terbium double-decker, Tb(Pc){H[Pc(α-OC 4 H 9 ) 8 ]} (Pc=unsubstituted phthalocyanine) (1), was revealed to exhibit typical single ion magnet (SIM) behavior with effective energy barrier, 180 K (125 cm -1 ), and blocking temperature, 2 K, due to the severe deviation of the terbium coordination polyhedron from square-antiprismatic geometry. Fabrication of this double-decker compound into the novel tetrakis(phthalocyaninato) terbium pseudo-quadruple-decker Na 2 {Tb(Pc)[Pc(α-OC 4 H 9 ) 8 ]} 2 (2) single molecule magnet (SMM) not only optimizes the coordination polyhedron of terbium ion towards the square-antiprismatic geometry and intensifies the coordination field strength, but more importantly significantly enhances the molecular magnetic anisotropy in the unsymmetrical bis(phthalocyaninato) double-decker unit, along with the change of the counter cation from H + of 1 to Na + of 2, leading to an significantly enhanced magnetic behavior with spin-reversal energy barrier, 528 K (367 cm -1 ), and blocking temperature, 25 K. The present result is surely helpful towards developing novel tetrapyrrole lanthanide SMMs through rational design and self-assembly from bis(tetrapyrrole) lanthanide single ion magnet (SIM) building block. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Probing the Methyl Torsional Barriers of the E and Z Isomers of Butadienyl Acetate by Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Jabri, Atef; Nguyen, Ha Vinh Lam; Kleiner, Isabelle; Van, Vinh; Stahl, Wolfgang

2016-06-01

The Fourier transform microwave spectra of the E and the Z isomer of butadienyl acetate have been measured in the frequency range from 2 to 26.5 GHz under molecular beam conditions. The most stable conformer of each isomer, in which all heavy atoms are located in a symmetry plane, was identified after analyzing the spectrum by comparison with results from quantum chemical calculations. The barrier to internal rotation of the acetyl methyl group was found to be 149.1822(20) cm-1 and 150.2128(48) cm-1 for the E and the Z isomer, respectively, which are similar to that of vinyl acetate. A comparison between two theoretical approaches treating internal rotations, the rho axis method (using the program BELGI-Cs) and combined axis method (using the program XIAM), is also performed. Since several years we study the barriers to internal rotation of the acetyl methyl group in acetates, CH3-COOR. Currently, we assume that all acetates can be divided into three classes. Class I contains α,β saturated acetates, where the torsional barrier is always close to 100 cm-1. Examples are a series of alkyl acetates such as methyl acetate and ethyl acetate. Class II contains α,β-unsaturated acetates where the C=C double bond is located in the COO plane. This is the case of vinyl acetate and butadienyl acetate. Finally, in class III with isopropenyl acetate and phenyl acetate as two representatives, α,β-unsaturated acetates, in which the double bond is not located in the COO plane, are collected. There, we observed a barrier height around 135 cm-1. This observation will be discussed in details. B. Velino, A. Maris, S. Melandri, W. Caminati, J. Mol. Spectrosc. 2009, 256, 228 H. V. L. Nguyen, A. Jabri, V. Van, and W. Stahl, J. Phys. Chem. A, 2014, 118, 12130.

Quantum beats in conductance oscillations in graphene-based asymmetric double velocity wells and electrostatic wells

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

Liu, Lei; Department of Medical Physics, Basic Medical College, Hebei Medical University, Shijiazhuang, Hebei 050017; Li, Yu-Xian

2014-01-14

The transport properties in graphene-based asymmetric double velocity well (Fermi velocity inside the well less than that outside the well) and electrostatic well structures are investigated using the transfer matrix method. The results show that quantum beats occur in the oscillations of the conductance for asymmetric double velocity wells. The beating effect can also be found in asymmetric double electrostatic wells, but only if the widths of the two wells are different. The beat frequency for the asymmetric double well is exactly equal to the frequency difference between the oscillation rates in two isolated single wells with the same structuresmore » as the individual wells in the double well structure. A qualitative interpretation is proposed based on the fact that the resonant levels depend upon the sizes of the quantum wells. The beating behavior can provide a new way to identify the symmetry of double well structures.« less

Lattice-matched double dip-shaped BAlGaN/AlN quantum well structures for ultraviolet light emission devices

NASA Astrophysics Data System (ADS)

Park, Seoung-Hwan; Ahn, Doyeol

2018-05-01

Ultraviolet light emission characteristics of lattice-matched BxAlyGa1-x-y N/AlN quantum well (QW) structures with double AlGaN delta layers were investigated theoretically. In contrast to conventional single dip-shaped QW structure where the reduction effect of the spatial separation between electron and hole wave functions is negligible, proposed double dip-shaped QW shows significant enhancement of the ultraviolet light emission intensity from a BAlGaN/AlN QW structure due to the reduced spatial separation between electron and hole wave functions. The emission peak of the double dip-shaped QW structure is expected to be about three times larger than that of the conventional rectangular AlGaN/AlN QW structure.

Electrical properties of Si-Si interfaces obtained by room temperature covalent wafer bonding

NASA Astrophysics Data System (ADS)

Jung, A.; Zhang, Y.; Arroyo Rojas Dasilva, Y.; Isa, F.; von Känel, H.

2018-02-01

We study covalent bonds between p-doped Si wafers (resistivity ˜10 Ω cm) fabricated on a recently developed 200 mm high-vacuum system. Oxide- and void free interfaces were obtained by argon (Ar) or neon (Ne) sputtering prior to wafer bonding at room temperature. The influence of the sputter induced amorphous Si layer at the bonding interface on the electrical behavior is accessed with temperature-dependent current-voltage measurements. In as-bonded structures, charge transport is impeded by a potential barrier of 0.7 V at the interface with thermionic emission being the dominant charge transport mechanism. Current-voltage characteristics are found to be asymmetric which can tentatively be attributed to electric dipole formation at the interface as a result of the time delay between the surface preparation of the two bonding partners. Electron beam induced current measurements confirm the corresponding asymmetric double Schottky barrier like band-alignment. Moreover, we demonstrate that defect annihilation at a low temperature of 400 °C increases the electrical conductivity by up to three orders of magnitude despite the lack of recrystallization of the amorphous layer. This effect is found to be more pronounced for Ne sputtered surfaces which is attributed to the lighter atomic mass compared to Ar, inducing weaker lattice distortions during the sputtering.

Research advisory board members' contributions and expectations in the USA.

PubMed

Pinto, R M; Spector, Anya Y; Rahman, R; Gastolomendo, J D

2015-06-01

This study focuses on the Implementation Community Collaborative Board (I-CCB) to identify members' anticipated contributions to and returns from the I-CCB; examine whether or not members achieved these contributions and returns over time; and explore barriers and facilitators that influenced accomplishments. Longitudinal study with repeated semi-structured in-depth interviews; baseline captured anticipated contributions and returns; 6- and 18-month follow-ups short- and longer-term achievements. We used content analysis to code/reduce text into variables, describe, count and compare categories. Participants anticipated involvement in I-CCB dynamics/governance and in research tasks/procedures. Anticipated returns included social support. Participants exerting influence on I-CCB's research agenda stayed the same over time. Participants conducting research doubled between follow-ups; those writing grant proposals increased by 50%. Participants receiving emotional support remained the same. Challenges: meetings steered by researchers; lack of time; use of jargon. Facilitators: outreaching to community; being affected by HIV; having overlapping identities/roles as researcher, service consumer and/or practitioner. Research partners can maximize facilitators, redress barriers and improve advisory board members' retention. Findings may help optimize the functioning of advisory boards worldwide. © The Author (2013). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Closing the barrier between disease and health outcomes in Africa through research and capacity development

PubMed Central

Kramer, Beverley; Libhaber, Elena

2018-01-01

ABSTRACT Background: While the burden of disease in Africa is high, health research emanating from the continent is low. Building human capacity and research infrastructure to close the gap between research and disease is thus of great imporatance. Objective: In order to improve research outputs and postgraduate training in the Faculty of Health Sciences, University of the Witwatersrand, the Health Sciences Research Office put in place a series of strategic initiatives over time. Methods: A range of strategic activities, for both postgraduate students and academic staff, were developed in parallel and sequentially over a period of approximately nine years (2008–2016). The latter years were a time of consolidation of the programmes. Outcomes of these activities were ‘measured’ by increases in publications, decreases in time to graduation and enrichment of the research environment. Results: A doubling of research publications and an increase in citations occurred over the period under review. In addition, there was a decrease in the time postgraduate students took to graduate. Conclusions: A varied, but structured research management plan may be of value in African and other developing health sciences institutions to enable the increase in research outputs and capacity development, desperately needed to close the barrier between disease and health. PMID:29370732

Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide.

PubMed

Everse, S J; Spraggon, G; Veerapandian, L; Doolittle, R F

1999-03-09

The structure of fragment double-D from human fibrin has been solved in the presence and absence of the peptide ligands that simulate the two knobs exposed by the removal of fibrinopeptides A and B, respectively. All told, six crystal structures have been determined, three of which are reported here for the first time: namely, fragments D and double-D with the peptide GHRPam alone and double-D in the absence of any peptide ligand. Comparison of the structures has revealed a series of conformational changes that are brought about by the various knob-hole interactions. Of greatest interest is a moveable "flap" of two negatively charged amino acids (Glubeta397 and Aspbeta398) whose side chains are pinned back to the coiled coil with a calcium atom bridge until GHRPam occupies the beta-chain pocket. Additionally, in the absence of the peptide ligand GPRPam, GHRPam binds to the gamma-chain pocket, a new calcium-binding site being formed concomitantly.

A qualitative study into the perceived barriers of accessing healthcare among a vulnerable population involved with a community centre in Romania.

PubMed

George, Siân; Daniels, Katy; Fioratou, Evridiki

2018-04-03

Minority vulnerable communities, such as the European Roma, often face numerous barriers to accessing healthcare services, resulting in negative health outcomes. Both these barriers and outcomes have been reported extensively in the literature. However, reports on barriers faced by European non-Roma native communities are limited. The "Health Care Access Barriers" (HCAB) model identifies pertinent financial, structural and cognitive barriers that can be measured and potentially modified. The present study thus aims to explore the barriers to accessing healthcare for a vulnerable population of mixed ethnicity from a charity community centre in Romania, as perceived by the centre's family users and staff members, and assess whether these reflect the barriers identified from the HCAB model. Eleven community members whose children attend the centre and seven staff members working at the centre participated in face-to-face semi-structured interviews, exploring personal experiences and views on accessing healthcare. The interviews were transcribed and analysed using an initial deductive and secondary inductive approach to identify HCAB themes and other emerging themes and subthemes. Identified themes from both groups aligned with HCAB's themes of financial, structural and cognitive barriers and emergent subthemes important to the specific population were identified. Specifically, financial barriers related mostly to health insurance and bribery issues, structural barriers related mostly to service availability and accessibility, and cognitive barriers related mostly to healthcare professionals' attitudes and discrimination and the vulnerable population's lack of education and health literacy. A unique theme of psychological barriers emerged from both groups with associated subthemes of mistrust, hopelessness, fear and anxiety of this vulnerable population. The current study highlights healthcare access barriers to a vulnerable non-Roma native population involved with a charity community centre in Romania. The "Healthcare Access Barriers for Vulnerable Populations" (HABVP) model is proposed as an adaption to the existing HCAB model to account for the unique perceived barriers to healthcare for this population. Recommendations for future resolution of these identified barriers are proposed.

Photo-induced electronic properties in single quantum well system: effect of excitonic lifetime

NASA Astrophysics Data System (ADS)

Patwari, Jayita; Ghadi, Hemant; Sardar, Samim; Singhal, Jashan; Tongbram, Binita; Shyamal, Sanjib; Bhattacharya, Chinmoy; Chakrabarti, Subhananda; Pal, Samir Kumar

2017-01-01

In the present study, we have established a correlation between the photo-induced electronic phenomena and excited state lifetime of the photo generated carriers in double barrier Al0.3Ga0.7As\\GaAs quantum well (QW) structures. The excited state lifetime was measured experimentally by picosecond time resolved photoluminescence spectroscopy for two samples with different well widths (5.3 nm and 16.5 nm). The faster nonradiative decay time of the narrower well can be attributed to the facile escape of electrons from well to barrier due to lower associated energy compared to that of the thicker well which resembles the simulated results of the energy level distribution. The proposed mechanism of carrier escape is further proven from the higher value of unconventional excitonic capacitance value in the thicker well, measured by impedance spectroscopy. The dependence of photo-induced capacitance on well thickness is explained by the lifetime of the excited carriers in this study. Dependence of the photo-generated capacitance (C) on externally applied bias voltage (V) was also studied to quantitatively establish a proportional relation between the carrier holding capacity of the well and the excitonic lifetime. The higher accumulation of charge and lower ground state energy of the thicker well is evident from the higher tunnelling current found for the same in the photocurrent (I) versus voltage (V) measurement. Thus the escape of electrons from the well to barrier is the key factor affecting the photo generated charge accumulation and its holding capacity which in turn influences the device performances.

Topological defects in electric double layers of ionic liquids at carbon interfaces

DOE PAGES

Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; ...

2015-06-07

The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here wemore » utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.« less

Systematic study on the isotopic behavior of fusion barrier using the density-dependent nucleon-nucleon interactions

NASA Astrophysics Data System (ADS)

Ghodsi, O. N.; Khalaj, M.

By changing the neutron and nuclear matter incompressibility constant K, we investigate the isotopic behavior of the fusion barriers for the collision of large number of different isotopes with condition of 0.7 ≤ N/Z ≤ 1.36. Here, the double folding (DF) model which is accompanied by density-dependent (DD) versions of M3Y interactions is adopted as a basic heavy ion-ion potential. We show that the selected DD potentials predict a linear behavior for the calculated fusion barrier heights as a function of (N/Z - 1) for both proton- and neutron-rich systems. Moreover, the results indicate that the isotopic behavior of these values depend linearly on the change in the K constant. The isotopic studies conducted on the fusion cross-section also shows that the properties of the nuclear matter in the range of energy which is below the fusion barrier will quite affect the fusion process.

Graphene-based stretchable and transparent moisture barrier

NASA Astrophysics Data System (ADS)

Won, Sejeong; Van Lam, Do; Lee, Jin Young; Jung, Hyun-June; Hur, Min; Kim, Kwang-Seop; Lee, Hak-Joo; Kim, Jae-Hyun

2018-03-01

We propose an alumina-deposited double-layer graphene (2LG) as a transparent, scalable, and stretchable barrier against moisture; this barrier is indispensable for foldable or stretchable organic displays and electronics. Both the barrier property and stretchability were significantly enhanced through the introduction of 2LG between alumina and a polymeric substrate. 2LG with negligible polymeric residues was coated on the polymeric substrate via a scalable dry transfer method in a roll-to-roll manner; an alumina layer was deposited on the graphene via atomic layer deposition. The effect of the graphene layer on crack generation in the alumina layer was systematically studied under external strain using an in situ micro-tensile tester, and correlations between the deformation-induced defects and water vapor transmission rate were quantitatively analyzed. The enhanced stretchability of alumina-deposited 2LG originated from the interlayer sliding between the graphene layers, which resulted in the crack density of the alumina layer being reduced under external strain.

Metallographic techniques for evaluation of thermal barrier coatings

NASA Technical Reports Server (NTRS)

Brindley, William J.; Leonhardt, Todd A.

1990-01-01

The performance of ceramic thermal barrier coatings is strongly dependent on the amount and shape of the porosity in the coating. Current metallographic techniques do not provide polished surfaces that are adequate for a repeatable interpretation of the coating structures. A technique recently developed at NASA-Lewis for preparation of thermal barrier coating sections combines epoxy impregnation, careful sectioning and polishing, and interference layering to provide previously unobtainable information on processing-induced porosity. In fact, increased contrast and less ambiguous structure developed by the method make automatic quantitative metallography a viable option for characterizing thermal barrier coating structures.

Theoretical Insights Into the Excited State Double Proton Transfer Mechanism of Deep Red Pigment Alkannin.

PubMed

Zhao, Jinfeng; Dong, Hao; Zheng, Yujun

2018-02-08

As the most important component of deep red pigments, alkannin is investigated theoretically in detail based on time-dependent density functional theory (TDDFT) method. Exploring the dual intramolecular hydrogen bonds (O1-H2···O3 and O4-H5···O6) of alkannin, we confirm the O1-H2···O3 may play a more important role in the first excited state than the O4-H5···O6 one. Infrared (IR) vibrational analyses and subsequent charge redistribution also support this viewpoint. Via constructing the S 1 -state potential energy surface (PES) and searching transition state (TS) structures, we illuminate the excited state double proton transfer (ESDPT) mechanism of alkannin is the stepwise process that can be first launched by the O1-H2···O3 hydrogen bond wire in gas state, acetonitrile (CH 3 CN) and cyclohexane (CYH) solvents. We present a novel mechanism that polar aprotic solvents can contribute to the first-step proton transfer (PT) process in the S 1 state, and nonpolar solvents play important roles in lowering the potential energy barrier of the second-step PT reaction.

Linear and nonlinear optical absorption coefficients and refractive index changes in GaN/Al{sub x}Ga{sub (1−x)}N double quantum wells operating at 1.55 μm

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

Dakhlaoui, Hassen

2015-04-07

In the present paper, the linear and nonlinear optical absorption coefficients and refractive index changes between the ground and the first excited states in double GaN/Al{sub x}Ga{sub (1−x)}N quantum wells are studied theoretically. The electronic energy levels and their corresponding wave functions are obtained by solving Schrödinger-Poisson equations self-consistently within the effective mass approximation. The obtained results show that the optical absorption coefficients and refractive index changes can be red- and blue-shifted through varying the left quantum well width and the aluminum concentration x{sub b2} of the central barrier, respectively. These structural parameters are found to present optimum values formore » carrying out the transition of 0.8 eV (1.55 μm). Furthermore, we show that the desired transition can also be achieved by replacing the GaN in the left quantum well with Al{sub y}Ga{sub (1−y)}N and by varying the aluminum concentration y{sub Al}. The obtained results give a new degree of freedom in optoelectronic device applications such as optical fiber telecommunications operating at (1.55 μm)« less

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

Paediatric nurses' understanding of the process and procedure of double-checking medications.

PubMed

Dickinson, Annette; McCall, Elaine; Twomey, Bernadette; James, Natalie

2010-03-01

To understand paediatric nurses' understanding and practice regarding double-checking medication and identify facilitators and barriers to the process of independent double-checking (IDC). A system of double-checking medications has been proposed as a way of minimising medication error particularly in situations involving high-risk medications, complex processes such as calculating doses, or high-risk patient populations such as infants and children. While recommendations have been made in support of IDC in paediatric settings little is known about nursing practice and the facilitators and barriers to this process. A descriptive qualitative design was used. Data were collected via three focus group interviews. Six to seven paediatric nurses participated in homogenous groups based on level of practice. Data were analysed using thematic analysis. This study demonstrates that, while IDC is accepted and promoted as best practice in a paediatric setting, there is a lack of clarity as to what this means. This study supports other studies in relation to the influence of workload, distraction and environmental factors on the administration process but highlights the need for more research in relation to the impact of the power dynamic between junior and senior nurses. The issue of automaticity has been unexplored in relation to nursing practice but this study indicates that this may have an important influence on how care is delivered to patients. While the focus of this study was in the paediatric setting, the findings have relevance to other settings and population groups. The adoption of IDC in health care settings must have in place: policy and guidelines that clearly define the process of checking, educational support, an environment that supports peer critique and review, well-designed medication areas and accessible resources to support drug administration.

Microwave noise measurements on double barrier resonant tunneling diodes

NASA Astrophysics Data System (ADS)

Kwaspen, J. J. M.; Heyker, H. C.; Demarteau, J. I. M.; Vanderoer, T. G.

1990-12-01

Double Barrier Resonant Tunneling (DBRT) diodes have nonlinear current voltage characteristics with Negative Differential Resistance (NDR) regions. Biased in one of these NDR regions, the DBRT diode can be used for microwave amplification purposes, so knowledge of the diode's noise behavior is important from a physics point of view. Two noise parameter measurement methods were developed in which the DBRT diode is used in a reflection amplifier configuration with circulator to transform the active one port device into an active two port with separate input and output ports. The Noise Figure (NF) of the DBRT diode must be deembedded from the NF of the reflection amplifier. An equation for the NF of the DBRT diode is derived. Two different measurement methods are used. A (complicated) more exact method uses the measured S parameters of the actual circulator and accounts for reflections at the noise source, NF meter and DBRT diode. A mathematically simple method (three versions) uses only scalar data collected by the NF meter. The results from these two methods are compared and they coincide well.

Enhancing analog performance and suppression of subthreshold swing using hetero-junctionless double gate TFETs

NASA Astrophysics Data System (ADS)

Chauhan, Sudakar Singh; Sharma, Neha

2017-12-01

This paper proposes hetero-junctionless double gate tunnel field effect transistor (HJLDG-TFETs) for suppression of subthreshold swing (SS) using an InAs compound semiconductor material. The proposed device with high dielectric material, gives an excellent performance when InAs uses at source side. Because of low band gap of 0.36 eV , it reduces the potential barrier height of source channel interface causing higher band to band tunneling. Whereas, Si at the drain side with higher band gap of 1.12 eV , increasing the barrier height of drain channel interface causing lower quantum tunneling. As a result, the proposed device with high-k (HfO2) at 30 nm channel section provides a tremendous characteristics with high ION /IOFF ratio of 2 ×1011 , a point SS of 43.30 mV / decade and moderate SS of 56.75 mV / decade . All the above results show that the proposed device is assured for a low power switching application. The variation in gate supply voltage also analyzed for transconductance property of the device.

Donor states in a semimagnetic Cd1 -xinMnxin Te /Cd1 -xoutMnxout Te Double Quantum Well

NASA Astrophysics Data System (ADS)

Kalpana, Panneer Selvam; Nithiananthi, Perumal; Jayakumar, Kalyanasundaram

2017-02-01

The theoretical investigation has been carried out on the binding energy of donor associated with the electrons confined in a Cd1 -xinMnxin Te /Cd1 -xoutMnxout Te Double Quantum Well (DQW) as a function of central barrier width for various well dimensions and impurity locations in the barrier and the well. The magnetic field can act as a tool to continuously change the interwell coupling inside this DQW systems and its effect on donor binding has also been studied. Moreover, the polaronic corrections, which is due to the strong exchange interaction between the magnetic moment of Mn2+ ion and the spin of the confined carrier, to the binding energy of the hydrogenic donor impurity has also been estimated with and without the application of magnetic field. The binding energy of the donor impurity is determined by solving the Schrodinger equation variationally in the effective mass approximation and the effect due to Bound Magnetic Polaron (BMP) is included using mean field theory with the modified Brillouin function. The results are reported and discussed.

Morphological evidence of neurotoxicity in retina after methylmercury exposure.

PubMed

Mela, Maritana; Grötzner, Sonia Regina; Legeay, Alexia; Mesmer-Dudons, Nathalie; Massabuau, Jean-Charles; Ventura, Dora Fix; de Oliveira Ribeiro, Ciro Alberto

2012-06-01

The visual system is particularly sensitive to methylmercury (MeHg) exposure and, therefore, provides a useful model for investigating the fundamental mechanisms that direct toxic effects. During a period of 70 days, adult of a freshwater fish species Hoplias malabaricus were fed with fish prey previously labeled with two different doses of methylmercury (0.075 and 0.75 μgg(-1)) to determine the mercury distribution and morphological changes in the retina. Mercury deposits were found in the photoreceptor layer, in the inner plexiform layer and in the outer plexiform layer, demonstrating a dose-dependent bioaccumulation. The ultrastructure analysis of retina revealed a cellular deterioration in the photoreceptor layer, morphological changes in the inner and outer segments of rods, structural changes in the plasma membrane of rods and double cones, changes in the process of removal of membranous discs and a structural discontinuity. These results lead to the conclusion that methylmercury is able to cross the blood-retina barrier, accumulate in the cells and layers of retina and induce changes in photoreceptors of H. malabaricus even under subchronic exposure. Copyright © 2012 Elsevier Inc. All rights reserved.

How do women at risk of HIV/AIDS in Iran perceive gender norms and gendered power relations in the context of safe sex negotiations?

PubMed

Lotfi, Razieh; Ramezani Tehrani, Fahimeh; Merghati Khoei, Effat; Yaghmaei, Farideh; Dworkin, Shari L

2013-07-01

Sexual transmission of HIV/AIDS among women is growing in the Middle East region. Despite the fact that there are numerous gender-related sociocultural factors influencing HIV/AIDS protective behaviors, little gender-specificity is carried out in HIV prevention in Iran. In order to close this gap, we aimed to provide preliminary work that explored the perceptions that women at risk of HIV had about gender norms and gendered power and their ability to protect themselves against HIV/AIDS. Twenty-five semi-structured in-depth interviews were conducted with women at risk of HIV/AIDS, aged 21-49 years, at Voluntary Counseling and Testing Centers or Drop in Centers in Tehran, Iran. Results showed that perceived gender norms were essential barriers of protective behavior through sexual socialization, male control over condom use and sexual decision-making, male pleasure predominating in sexual encounters and sexual double standards, and economic dependencies. In the conclusions, we consider how HIV/AIDS preventive programs can be structured to be gender-sensitive and empowering in Iran.

Solid-phase diffusion mechanism for GaAs nanowire growth.

PubMed

Persson, Ann I; Larsson, Magnus W; Stenström, Stig; Ohlsson, B Jonas; Samuelson, Lars; Wallenberg, L Reine

2004-10-01

Controllable production of nanometre-sized structures is an important field of research, and synthesis of one-dimensional objects, such as nanowires, is a rapidly expanding area with numerous applications, for example, in electronics, photonics, biology and medicine. Nanoscale electronic devices created inside nanowires, such as p-n junctions, were reported ten years ago. More recently, hetero-structure devices with clear quantum-mechanical behaviour have been reported, for example the double-barrier resonant tunnelling diode and the single-electron transistor. The generally accepted theory of semiconductor nanowire growth is the vapour-liquid-solid (VLS) growth mechanism, based on growth from a liquid metal seed particle. In this letter we suggest the existence of a growth regime quite different from VLS. We show that this new growth regime is based on a solid-phase diffusion mechanism of a single component through a gold seed particle, as shown by in situ heating experiments of GaAs nanowires in a transmission electron microscope, and supported by highly resolved chemical analysis and finite element calculations of the mass transport and composition profiles.

The role of the Ti and Mo barrier layer in Ti/Al metallization to AlGaN/GaN heterostructures at identical process conditions: a structural and chemical characterization

NASA Astrophysics Data System (ADS)

Chandran, Narendraraj; Kolakieva, Lilyana; Kakanakov, Roumen; Polychroniadis, E. K.

2015-11-01

The composition and structure of TiAl-based metallizations have been investigated depending on the Ti and Mo barriers. The lowest contact resistivity of 4 × 10-6 Ω.cm2 for a Ti barrier and 7 × 10-6 Ω.cm2 for a Mo barrier is obtained at a Ti/Al ratio of 0.43 after annealing at 800 °C. The scanning transmission electron microscope (STEM) and energy dispersive spectroscopy (EDS) analyses reveal that Mo is not an effective barrier for the Au in-diffusion and Al out of diffusion during annealing. The intensive diffusion processes lead to the formation of the semimetal TiN compound at the interface and intermetallic phases of Au, Al, and Ti, the structure and composition of which depend on the barrier metal.

Catalytic thermal barrier coatings

DOEpatents

Kulkarni, Anand A.; Campbell, Christian X.; Subramanian, Ramesh

2009-06-02

A catalyst element (30) for high temperature applications such as a gas turbine engine. The catalyst element includes a metal substrate such as a tube (32) having a layer of ceramic thermal barrier coating material (34) disposed on the substrate for thermally insulating the metal substrate from a high temperature fuel/air mixture. The ceramic thermal barrier coating material is formed of a crystal structure populated with base elements but with selected sites of the crystal structure being populated by substitute ions selected to allow the ceramic thermal barrier coating material to catalytically react the fuel-air mixture at a higher rate than would the base compound without the ionic substitutions. Precious metal crystallites may be disposed within the crystal structure to allow the ceramic thermal barrier coating material to catalytically react the fuel-air mixture at a lower light-off temperature than would the ceramic thermal barrier coating material without the precious metal crystallites.

A general range-separated double-hybrid density-functional theory

NASA Astrophysics Data System (ADS)

Kalai, Cairedine; Toulouse, Julien

2018-04-01

A range-separated double-hybrid (RSDH) scheme which generalizes the usual range-separated hybrids and double hybrids is developed. This scheme consistently uses a two-parameter Coulomb-attenuating-method (CAM)-like decomposition of the electron-electron interaction for both exchange and correlation in order to combine Hartree-Fock exchange and second-order Møller-Plesset (MP2) correlation with a density functional. The RSDH scheme relies on an exact theory which is presented in some detail. Several semi-local approximations are developed for the short-range exchange-correlation density functional involved in this scheme. After finding optimal values for the two parameters of the CAM-like decomposition, the RSDH scheme is shown to have a relatively small basis dependence and to provide atomization energies, reaction barrier heights, and weak intermolecular interactions globally more accurate or comparable to range-separated MP2 or standard MP2. The RSDH scheme represents a new family of double hybrids with minimal empiricism which could be useful for general chemical applications.

N-doped structures and surface functional groups of reduced graphene oxide and their effect on the electrochemical performance of supercapacitor with organic electrolyte

NASA Astrophysics Data System (ADS)

Li, Shin-Ming; Yang, Shin-Yi; Wang, Yu-Sheng; Tsai, Hsiu-Ping; Tien, Hsi-Wen; Hsiao, Sheng-Tsung; Liao, Wei-Hao; Chang, Chien-Liang; Ma, Chen-Chi M.; Hu, Chi-Chang

2015-03-01

Nitrogen-doped reduced graphene oxide (N-rGO) has been synthesized using a simple, efficient method combining instant thermal exfoliation and covalent bond transformation from a melamine-graphene oxide mixture. The capacitive performance of N-rGO has been tested in both aqueous (0.5 M H2SO4) and organic (1 M tetraethyl-ammonium tetrafluoroborate (TEABF4) in propylene carbonate (PC)) electrolytes, which are compared with those obtained from thermal-reduced graphene oxide (T-rGO) and chemical-reduced graphene oxide (C-rGO). The contributions of scan-rate-independent (double-layer-like) and scan-rate-dependent (pseudo-capacitance-like) capacitance of all reduced graphene oxides in both aqueous and organic electrolytes were evaluated and compared. The results show that relatively rich oxygen-containing functional groups on C-rGO form significant ion-diffusion barrier, resulting in worse electrochemical responses in organic electrolyte. By contrast, the N-doped structures, large surface area, and lower density of oxygen-containing groups make N-rGO become a promising electrode material for organic electric double-layer capacitors (EDLCs). The capacitance rate-retention of N-rGO reaches 71.1% in 1 M TEABF4/PC electrolyte when the scan rate is elevated to 200 mVs-1, demonstrating that N-rGO improves the relatively low-power drawback of EDLCs in organic electrolytes. The specific energy and power of a symmetric N-rGO cell in the organic electrolyte reach 25 Wh kg-1 and 10 kW kg-1, respectively.

Micropatternable Double-Faced ZnO Nanoflowers for Flexible Gas Sensor.

PubMed

Kim, Jong-Woo; Porte, Yoann; Ko, Kyung Yong; Kim, Hyungjun; Myoung, Jae-Min

2017-09-27

Micropatternable double-faced (DF) zinc oxide (ZnO) nanoflowers (NFs) for flexible gas sensors have been successfully fabricated on a polyimide (PI) substrate with single-walled carbon nanotubes (SWCNTs) as electrode. The fabricated sensor comprises ZnO nanoshells laid out on a PI substrate at regular intervals, on which ZnO nanorods (NRs) were grown in- and outside the shells to maximize the surface area and form a connected network. This three-dimensional network structure possesses multiple gas diffusion channels and the micropatterned island structure allows the stability of the flexible devices to be enhanced by dispersing the strain into the empty spaces of the substrate. Moreover, the micropatterning technique on a flexible substrate enables highly integrated nanodevices to be fabricated. The SWCNTs were chosen as the electrode for their flexibility and the Schottky barrier they form with ZnO, improving the sensing performance. The devices exhibited high selectivity toward NO 2 as well as outstanding sensing characteristics with a stable response of 218.1, fast rising and decay times of 25.0 and 14.1 s, respectively, and percent recovery greater than 98% upon NO 2 exposure. The superior sensing properties arose from a combination of high surface area, numerous active junction points, donor point defects in the ZnO NRs, and the use of the SWCNT electrode. Furthermore, the DF-ZnO NF gas sensor showed sustainable mechanical stability. Despite the physical degradation observed, the devices still demonstrated outstanding sensing characteristics after 10 000 bending cycles at a curvature radius of 5 mm.

Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes.

PubMed

Bestembayeva, Aizhan; Kramer, Armin; Labokha, Aksana A; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V; Ford, Ian J; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W

2015-01-01

The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ∼5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC. Although the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins, and is therefore not well understood. Here, we show that stiffness topography with sharp atomic force microscopy tips can generate nanoscale cross-sections of the NPC. The cross-sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel.

Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes

PubMed Central

Labokha, Aksana A.; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V.; Ford, Ian J.; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W.

2014-01-01

The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ~5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC1. Whilst the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized2-5, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins5,6, and is therefore not well understood. Here, we show that stiffness topography7 with sharp atomic force microscopy tips can generate nanoscale cross sections of the NPC. The cross sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy2-5. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport, and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel. PMID:25420031

Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes

NASA Astrophysics Data System (ADS)

Bestembayeva, Aizhan; Kramer, Armin; Labokha, Aksana A.; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V.; Ford, Ian J.; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W.

2015-01-01

The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ∼5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC. Although the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins, and is therefore not well understood. Here, we show that stiffness topography with sharp atomic force microscopy tips can generate nanoscale cross-sections of the NPC. The cross-sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel.

The ethane + oxygen(,2) reaction mechanism: High-level ab initio characterizations

NASA Astrophysics Data System (ADS)

Rienstra-Kiracofe, Jonathan C.

The C2H˙5+O2 reaction, central to ethane oxidation and thus of fundamental importance to hydrocarbon combustion chemistry, has been examined in detail via highly sophisticated electronic structure methods. The geometries, energies, and harmonic vibrational frequencies of the reactants, transition states, intermediates, and products for the reaction of the ethyl radical (X~ 2A ') with O2 (X S-g3 , a 1Δg) have been investigated using the CCSD and CCSD(T) ab initio methods with basis sets ranging in quality from double-zeta plus polarization (DZP) to triple-zeta plus double polarization with f functions (TZ2Pf). Five mechanisms (M1-M5) involving the ground-state from the ethyl radical by O2 to give ethylene + HO˙2 with an overall 0 K activation energy, Ea(0 K) = +15.1 kcal mol-1 with CCSD(T)/TZ2Pf//CCSD(T)/TZ2P. (M2) Ethylperoxy β- hydrogen transfer with O-O bond rupture to yield oxirane + .OH Ea(0 K) = +5.3 kcal mol-1 with CCSD(T)/TZ2Pf//CCSD(T)/TZ2P. (M3) Ethylperoxy α- hydrogen transfer with O-O bond rupture to yield acetaldehyde + .OH Ea(0 K) = +11.5 kcal mol-1 with CCSD(T)/TZ2P//CCSD(T)/DZP. (M4) Ethylperoxy β- hydrogen transfer with C-O bond rupture to yield ethylene + HO˙2 ; Ea(0 K) = +5.3 kcal mol-1 with CCSD(T)/TZ2Pf//CCSD(T)/TZ2P, the C-O bond rupture barrier lying 1.2 kcal mol-1 above the O-O bond rupture barrier of M2 at the CCSD(T)/TZ2P//CCSD(T)/DZP level. (M5) Concerted elimination of HO˙2 from the ethylperoxy radical to give ethylene + HO˙2 ; Ea(0 K) = -0.9 kcal mol -1 with CCSD(T)/TZPf//CCSD(T)/TZ2P. We show that M5 is energetically preferred and is also the only mechanism consistent with experimental observations of a negative temperature coefficient. The reverse reaction (C2H 4 + HO˙2 --> .C2H4OOH) has a zero-point corrected barrier of 14.4 kcal mol-1 with CCSD(T)/TZ2P//CCSD(T)/DZP.

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

Pereyra, Pedro, E-mail: pereyrapedro@gmail.com; Mendoza-Figueroa, M. G.

Transport properties of electrons through biased double barrier semiconductor structures with finite transverse width w{sub y}, in the presence of a channel-mixing transverse electric field E{sub T} (along the y-axis), were studied. We solve the multichannel Schrödinger equation using the transfer matrix method and transport properties, like the conductance G and the transmission coefficients T{sub ij} have been evaluated as functions of the electrons' energy E and the transverse and longitudinal (bias) electric forces, f{sub T} and f{sub b}. We show that peak-suppression effects appear, due to the applied bias. Similarly, coherent interference of wave-guide states induced by the transversemore » field is obtained. We show also that the coherent interference of resonant wave-guide states gives rise to resonant conductance, which can be tuned to produce broad resonant peaks, implying operation frequencies of the order of 10 THz or larger.« less

A passive solar residence using native and recycled materials, Bee Cave, Texas

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

Holder, L.M. III; King, L.H.

The Booth Residence at Bee Cave, Texas is a Passive Solar residence in a hot humid climate and a good example of both passive solar and renewable features. The design, operation, materials, and furnishings give the structure a regional and rustic character. Passive solar strategies employed include solar orientation, solar shading, natural ventilation, induced ventilation, night flushing, direct gain clearstory, high mass floors, daylighting, radiant barrier, and a double ventilated roof system. The project is in contrast to the existing compound which includes three identical buildings each rotated 120 degrees and intended to be energy efficient, but actual operation hasmore » pointed out some deficiencies in the design. Additional features include extensive use of natural, recycled, and materials reused from other buildings. The Boothe Residence is an example of building in harmony with the local climate, the use of locally available materials, craftsman, artists, manpower, and reuse of trim and furnishings.« less

Scattering of charged particles on two spatially separated time-periodic optical fields

NASA Astrophysics Data System (ADS)

Szabó, Lóránt Zs.; Benedict, Mihály G.; Földi, Péter

2017-12-01

We consider a monoenergetic beam of moving charged particles interacting with two separated oscillating electric fields. Time-periodic linear potential is assumed to model the light-particle interaction using a nonrelativistic, quantum mechanical description based on Gordon-Volkov states. Applying Floquet theory, we calculate transmission probabilities as a function of the laser field parameters. The transmission resonances in this Ramsey-like setup are interpreted as if they originated from a corresponding static double-potential barrier with heights equal to the ponderomotive potential resulting from the oscillating field. Due to the opening of new "Floquet channels," the resonances are repeated at input energies when the corresponding frequency is shifted by an integer multiple of the exciting frequency. These narrow resonances can be used as precise energy filters. The fine structure of the transmission spectra is determined by the phase difference between the two oscillating light fields, allowing for the optical control of the transmission.

Sodium and potassium competition in potassium-selective and non-selective channels

NASA Astrophysics Data System (ADS)

Sauer, David B.; Zeng, Weizhong; Canty, John; Lam, Yeeling; Jiang, Youxing

2013-11-01

Potassium channels selectively conduct K+, primarily to the exclusion of Na+, despite the fact that both ions can bind within the selectivity filter. Here we perform crystallographic titration and single-channel electrophysiology to examine the competition of Na+ and K+ binding within the filter of two NaK channel mutants; one is the potassium-selective NaK2K mutant and the other is the non-selective NaK2CNG, a CNG channel pore mimic. With high-resolution structures of these engineered NaK channel constructs, we explicitly describe the changes in K+ occupancy within the filter upon Na+ competition by anomalous diffraction. Our results demonstrate that the non-selective NaK2CNG still retains a K+-selective site at equilibrium, whereas the NaK2K channel filter maintains two high-affinity K+ sites. A double-barrier mechanism is proposed to explain K+ channel selectivity at low K+ concentrations.

Main principles of developing exploitation models of semiconductor devices

NASA Astrophysics Data System (ADS)

Gradoboev, A. V.; Simonova, A. V.

2018-05-01

The paper represents primary tasks, solutions of which allow to develop the exploitation modes of semiconductor devices taking into account complex and combined influence of ionizing irradiation and operation factors. The structure of the exploitation model of the semiconductor device is presented, which is based on radiation and reliability models. Furthermore, it was shown that the exploitation model should take into account complex and combine influence of various ionizing irradiation types and operation factors. The algorithm of developing the exploitation model of the semiconductor devices is proposed. The possibility of creating the radiation model of Schottky barrier diode, Schottky field-effect transistor and Gunn diode is shown based on the available experimental data. The basic exploitation model of IR-LEDs based upon double AlGaAs heterostructures is represented. The practical application of the exploitation models will allow to output the electronic products with guaranteed operational properties.

Coarse-grained simulation of DNA using LAMMPS : An implementation of the oxDNA model and its applications.

PubMed

Henrich, Oliver; Gutiérrez Fosado, Yair Augusto; Curk, Tine; Ouldridge, Thomas E

2018-05-10

During the last decade coarse-grained nucleotide models have emerged that allow us to study DNA and RNA on unprecedented time and length scales. Among them is oxDNA, a coarse-grained, sequence-specific model that captures the hybridisation transition of DNA and many structural properties of single- and double-stranded DNA. oxDNA was previously only available as standalone software, but has now been implemented into the popular LAMMPS molecular dynamics code. This article describes the new implementation and analyses its parallel performance. Practical applications are presented that focus on single-stranded DNA, an area of research which has been so far under-investigated. The LAMMPS implementation of oxDNA lowers the entry barrier for using the oxDNA model significantly, facilitates future code development and interfacing with existing LAMMPS functionality as well as other coarse-grained and atomistic DNA models.

Using models to interpret the impact of roadside barriers on near-road air quality

NASA Astrophysics Data System (ADS)

Amini, Seyedmorteza; Ahangar, Faraz Enayati; Schulte, Nico; Venkatram, Akula

2016-08-01

The question this paper addresses is whether semi-empirical dispersion models based on data from controlled wind tunnel and tracer experiments can describe data collected downwind of a sound barrier next to a real-world urban highway. Both models are based on the mixed wake model described in Schulte et al. (2014). The first neglects the effects of stability on dispersion, and the second accounts for reduced entrainment into the wake of the barrier under unstable conditions. The models were evaluated with data collected downwind of a kilometer-long barrier next to the I-215 freeway running next to the University of California campus in Riverside. The data included measurements of 1) ultrafine particle (UFP) concentrations at several distances from the barrier, 2) micrometeorological variables upwind and downwind of the barrier, and 3) traffic flow separated by automobiles and trucks. Because the emission factor for UFP is highly uncertain, we treated it as a model parameter whose value is obtained by fitting model estimates to observations of UFP concentrations measured at distances where the barrier impact is not dominant. Both models provide adequate descriptions of both the magnitude and the spatial variation of observed concentrations. The good performance of the models reinforces the conclusion from Schulte et al. (2014) that the presence of the barrier is equivalent to shifting the line sources on the road upwind by a distance of about HU/u∗ where H is the barrier height, U is the wind velocity at half of the barrier height, and u∗ is the friction velocity. The models predict that a 4 m barrier results in a 35% reduction in average concentration within 40 m (10 times the barrier height) of the barrier, relative to the no-barrier site. This concentration reduction is 55% if the barrier height is doubled.

Stimulated emission of surface plasmons by electron tunneling in metal-barrier-metal structures

NASA Technical Reports Server (NTRS)

Siu, D. P.; Gustafson, T. K.

1978-01-01

It is shown that correlation currents arising from the superposition of pairs of states on distinct sides of a potential barrier in metal-barrier-metal structures can result in inelastic tunneling through the emission of surface plasmons. Net gain of an externally excited plasmon field is possible.

A Paired, Double-Blind, Randomized Comparison of a Moisturizing Durable Barrier Cream to 10% Glycerine Cream in the Prophylactic Management of Postmastectomy Irradiation Skin Care: Trans Tasman Radiation Oncology Group (TROG) 04.01

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

Graham, Peter H., E-mail: peter.graham@sesiahs.health.nsw.gov.au; Plant, Natalie; Graham, Jennifer L.

2013-05-01

Purpose: A previous, unblinded study demonstrated that an alcohol-free barrier film containing an acrylate terpolymer (ATP) was effective in reducing skin reactions compared with a 10% glycerine cream (sorbolene). The different appearances of these products precluded a blinded comparison. To test the acrylate terpolymer principle in a double-blinded manner required the use of an alternative cream formulation, a moisturizing durable barrier cream (MDBC); the study was conducted by the Trans Tasman Radiation Oncology Group (TROG) as protocol 04.01. Methods and Materials: A total of 333 patients were randomized; 1 patient was ineligible and 14 patients withdrew or had less thanmore » 7 weeks' observations, leaving 318 for analysis. The chest wall was divided into medial and lateral compartments, and patients were randomized to have MDBC applied daily to the medial or lateral compartment and sorbolene to the other compartment. Weekly observations, photographs, and symptom scores (pain and pruritus) were collected to week 12 or resolution of skin reactions if earlier. Skin dose was confirmed by centrally calibrated thermoluminescent dosimeters. Results: Rates of medial and lateral compartment Common Toxicity Criteria (CTC), version 3, greater than or equal to grade 3 skin reactions were 23% and 41%, but rates by skin care product were identical at 32%. There was no significant difference between MDBC and sorbolene in the primary endpoint of peak skin reactions or secondary endpoints of area-under-the-curve skin reaction scores. Conclusions: The MDBC did not reduce the peak skin reaction compared to sorbolene. It is possible that this is related to the difference in the formulation of the cream compared with the film formulation. Skin dosimetry verification and double blinding are essential for radiation skin care comparative studies.« less

Design of double gate vertical tunnel field effect transistor using HDB and its performance estimation

NASA Astrophysics Data System (ADS)

Seema; Chauhan, Sudakar Singh

2018-05-01

In this paper, we demonstrate the double gate vertical tunnel field-effect transistor using homo/hetero dielectric buried oxide (HDB) to obtain the optimized device characteristics. In this concern, the existence of double gate, HDB and electrode work-function engineering enhances DC performance and Analog/RF performance. The use of electrostatic doping helps to achieve higher on-current owing to occurrence of higher tunneling generation rate of charge carriers at the source/epitaxial interface. Further, lightly doped drain region and high- k dielectric below channel and drain region are responsible to suppress the ambipolar current. Simulated results clarifies that proposed device have achieved the tremendous performance in terms of driving current capability, steeper subthreshold slope (SS), drain induced barrier lowering (DIBL), hot carrier effects (HCEs) and high frequency parameters for better device reliability.

Analysis of interactions among the barriers to JIT production: interpretive structural modelling approach

NASA Astrophysics Data System (ADS)

Jadhav, J. R.; Mantha, S. S.; Rane, S. B.

2015-09-01

`Survival of the fittest' is the reality in modern global competition. Organizations around the globe are adopting or willing to embrace just-in-time (JIT) production to reinforce the competitiveness. Even though JIT is the most powerful inventory management methodologies it is not free from barriers. Barriers derail the implementation of JIT production system. One of the most significant tasks of top management is to identify and understand the relationship between the barriers to JIT production for alleviating its bad effects. The aims of this paper are to study the barriers hampering the implementation of successful JIT production and analysing the interactions among the barriers using interpretive structural modelling technique. Twelve barriers have been identified after reviewing literature. This paper offers a roadmap for preparing an action plan to tackle the barriers in successful implementation of JIT production.

An Improved Analysis of the Sevoflurane-Benzene Structure by Chirped Pulse Ftmw Spectroscopy

NASA Astrophysics Data System (ADS)

Seifert, Nathan A.; Perez, Cristobal; Zaleski, Daniel P.; Neill, Justin L.; Pate, Brooks H.; Lesarri, Alberto; Vallejo, Montserrat; Cocinero, Emilio J.; Castano, Fernando; Kleiner, Isabelle

2013-06-01

Recent improvements to the 2-8 GHz CP-FTMW spectrometer at University of Virginia have improved the structural and spectroscopic analysis of the sevoflurane-benzene cluster. Previously reported results, although robust, were limited to a fit of the a-type transitions of the normal species in the determination of the six-fold barrier to benzene internal rotation. Structural analysis was limited to the benzene hydrogen atom positions using benzene-d_{1}. The increased sensitivity of the new 2-8 GHz setup allows for a full internal rotation analysis of the a- and c-type transitions of the normal species, which was performed with BELGI. A fit value for V_{6} of 32.868(11) cm^{-1} is determined. Additionally, a full substitution structure of the benzene carbon atom positions was determined in natural abundance. Also, new measurements of a sevoflurane/benzene-d_{1} mixture enabled detection of 33 of the 60 possible ^{2}D / ^{13}C double isotopologues. This abundance of isotopic data, a total of 45 isotopologues, enabled a full heavy atom least-squares r_{0} structure fit for the complex, including positions for all seven fluorines in sevoflurane. N. A. Seifert, D. P. Zaleski, J. L. Neill, B. H. Pate, A. Lesarri, M. Vallejo, E. J. Cocinero, F. Castańo. 67th OSU Int. Symp. On Mol. Spectrosc., Columbus, OH, 2012, MH13.

Dual catenin loss in murine liver causes tight junctional deregulation and progressive intrahepatic cholestasis.

PubMed

Pradhan-Sundd, Tirthadipa; Zhou, Lili; Vats, Ravi; Jiang, An; Molina, Laura; Singh, Sucha; Poddar, Minakshi; Russell, Jacquelyn; Stolz, Donna B; Oertel, Michael; Apte, Udayan; Watkins, Simon; Ranganathan, Sarangarajan; Nejak-Bowen, Kari N; Sundd, Prithu; Monga, Satdarshan Pal

2018-06-01

β-Catenin, the downstream effector of the Wnt signaling, plays important roles in hepatic development, regeneration, and tumorigenesis. However, its role at hepatocyte adherens junctions (AJ) is relatively poorly understood, chiefly due to spontaneous compensation by γ-catenin. We simultaneously ablated β- and γ-catenin expression in mouse liver by interbreeding β-catenin-γ-catenin double-floxed mice and Alb-Cre transgenic mice. Double knockout mice show failure to thrive, impaired hepatocyte differentiation, cholemia, ductular reaction, progressive cholestasis, inflammation, fibrosis, and tumorigenesis, which was associated with deregulation of tight junctions (TJ) and bile acid transporters, leading to early morbidity and mortality, a phenotype reminiscent of progressive familial intrahepatic cholestasis (PFIC). To address the mechanism, we specifically and temporally eliminated both catenins from hepatocytes using adeno-associated virus 8 carrying Cre-recombinase under the thyroid-binding globulin promoter (AAV8-TBG-Cre). This led to a time-dependent breach of the blood-biliary barrier associated with sequential disruption of AJ and TJ verified by ultrastructural imaging and intravital microscopy, which revealed unique paracellular leaks around individual hepatocytes, allowing mixing of blood and bile and leakage of blood from one sinusoid to another. Molecular analysis identified sequential losses of E-cadherin, occludin, claudin-3, and claudin-5 due to enhanced proteasomal degradation, and of claudin-2, a β-catenin transcriptional target, which was also validated in vitro. We report partially redundant function of catenins at AJ in regulating TJ and contributing to the blood-biliary barrier. Furthermore, concomitant hepatic loss of β- and γ-catenin disrupts structural and functional integrity of AJ and TJ via transcriptional and posttranslational mechanisms. Mice with dual catenin loss develop progressive intrahepatic cholestasis, providing a unique model to study diseases such as PFIC. (Hepatology 2018;67:2320-2337). © 2017 by the American Association for the Study of Liver Diseases.

Evaluation of wind/tornado-generated missile impact

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

Singhal, M.K.; Walls, J.C.

1993-09-01

Simplified empirical formulae and some tabular data for the design/evaluation of structure barriers to resist wind/tornado generated missiles impact are presented in this paper. The scope is limited to the missiles defined by UCRL-15910 which are to be considered for moderate and high hazard facilities only. The method presented herein are limited to consideration of local effects on the barrier, i.e., the barrier must be capable of stopping the missile, and the barrier must no cause the generation of secondary missiles due to scabbing. Overall structural response to missile impact and structural effects derived from wind pressure are not addressedmore » in this paper.« less

Origin of the double- and multi-pulse structure of echolocation signals in Yangtze finless porpoise (Neophocaena phocaenoides asiaeorientialis)

NASA Astrophysics Data System (ADS)

Li, Songhai; Wang, Kexiong; Wang, Ding; Akamatsu, Tomonari

2005-12-01

The signals of dolphins and porpoises often exhibit a multi-pulse structure. Here, echolocation signal recordings were made from four geometrically distinct positions of seven Yangtze finless porpoises temporarily housed in a relatively small, enclosed area. Some clicks demonstrated double-pulse, and others multi-pulse, structure. The interpulse intervals between the first and second pulse of the double- and multi-pulse clicks were significantly different among data from the four different positions (p<0.01, one-way ANOVA). These results indicate that the interpulse interval and structure of the double- and multi-pulse echolocation signals depend on the hydrophone geometry of the animal, and that the double- and multi-pulse structure of echolocation signals in Yangtze finless porpoise is not caused by the phonating porpoise itself, but by the multipath propagation of the signal. Time delays in the 180° phase-shifted surface reflection pulse and the nonphase-shifted bottom reflection pulse of the multi-pulse structures, relative to the direct signal, can be used to calculate the distance to a phonating animal.

Artificial barriers prevent genetic recovery of small isolated populations of a low-mobility freshwater fish.

PubMed

Coleman, R A; Gauffre, B; Pavlova, A; Beheregaray, L B; Kearns, J; Lyon, J; Sasaki, M; Leblois, R; Sgro, C; Sunnucks, P

2018-06-01

Habitat loss and fragmentation often result in small, isolated populations vulnerable to environmental disturbance and loss of genetic diversity. Low genetic diversity can increase extinction risk of small populations by elevating inbreeding and inbreeding depression, and reducing adaptive potential. Due to their linear nature and extensive use by humans, freshwater ecosystems are especially vulnerable to habitat loss and fragmentation. Although the effects of fragmentation on genetic structure have been extensively studied in migratory fishes, they are less understood in low-mobility species. We estimated impacts of instream barriers on genetic structure and diversity of the low-mobility river blackfish (Gadopsis marmoratus) within five streams separated by weirs or dams constructed 45-120 years ago. We found evidence of small-scale (<13 km) genetic structure within reaches unimpeded by barriers, as expected for a fish with low mobility. Genetic diversity was lower above barriers in small streams only, regardless of barrier age. In particular, one isolated population showed evidence of a recent bottleneck and inbreeding. Differentiation above and below the barrier (F ST  = 0.13) was greatest in this stream, but in other streams did not differ from background levels. Spatially explicit simulations suggest that short-term barrier effects would not be detected with our data set unless effective population sizes were very small (<100). Our study highlights that, in structured populations, the ability to detect short-term genetic effects from barriers is reduced and requires more genetic markers compared to panmictic populations. We also demonstrate the importance of accounting for natural population genetic structure in fragmentation studies.

A qualitative study of doctors' and nurses' barriers to communicating with seriously ill patients about their dependent children.

PubMed

Dencker, Annemarie; Rix, Bo Andreassen; Bøge, Per; Tjørnhøj-Thomsen, Tine

2017-12-01

Research indicates that health personnel caring for seriously ill patients with dependent children aged 0 to 18 years often avoid discussing with them the challenges of being a family with a parent in treatment. Children of seriously ill patients risk serious trauma and emotional difficulty later in life and depend on adult support to minimize these consequences. Patients suffer anxiety about supporting their children during their illness. Because of their potentially pivotal role in supporting patients in enabling parent-child communication, we examined HP's structural and emotional barriers to communicating with patients about their children. The study was based on 49 semi-structured, in-depth interviews with doctors and nurses working with haematology, gynaecological cancer, and neurointensive care. Both interviews and analysis addressed emotional and structural barriers, drawing on the theoretical framework of Maturana's domains. The study found structural barriers (eg, lack of space in the medical recording system, professional code, time pressure, and lack of training) and emotional barriers (eg, the painful nature of the situation and the perceived need of keeping professional distance). We found that emotional barriers tended to grow when structural barriers were not addressed. Our study indicates (1) the need to use templates and manual procedures to gather and process information about children in medical records; (2) the need for managerial backing for addressing children of seriously ill patients and time spent on it; and (3) the need for future HP training programmes to include how to implement procedures and how to address all barriers. Copyright © 2017 John Wiley & Sons, Ltd.

Inductive Double-Contingency Analysis of UO2 Powder Bulk Blending Operations at a Commercial Fuel Plant (U)

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

Skiles, S. K.

1994-12-22

An inductive double-contingency analysis (DCA) method developed by the criticality safety function at the Savannah River Site, was applied in Criticality Safety Evaluations (CSEs) of five major plant process systems at the Westinghouse Electric Corporation`s Commercial Nuclear Fuel Manufacturing Plant in Columbia, South Carolina (WEC-Cola.). The method emphasizes a thorough evaluation of the controls intended to provide barriers against criticality for postulated initiating events, and has been demonstrated effective at identifying common mode failure potential and interdependence among multiple controls. A description of the method and an example of its application is provided.

Exactly solvable Schrödinger equation with double-well potential for hydrogen bond

NASA Astrophysics Data System (ADS)

Sitnitsky, A. E.

2017-05-01

We construct a double-well potential for which the Schrödinger equation can be exactly solved via reducing to the confluent Heun's one. Thus the wave function is expressed via the confluent Heun's function. The latter is tabulated in Maple so that the obtained solution is easily treated. The potential is infinite at the boundaries of the final interval that makes it to be highly suitable for modeling hydrogen bonds (both ordinary and low-barrier ones). We exemplify theoretical results by detailed treating the hydrogen bond in KHCO3 and show their good agreement with literature experimental data.

Action detection by double hierarchical multi-structure space-time statistical matching model

NASA Astrophysics Data System (ADS)

Han, Jing; Zhu, Junwei; Cui, Yiyin; Bai, Lianfa; Yue, Jiang

2018-03-01

Aimed at the complex information in videos and low detection efficiency, an actions detection model based on neighboring Gaussian structure and 3D LARK features is put forward. We exploit a double hierarchical multi-structure space-time statistical matching model (DMSM) in temporal action localization. First, a neighboring Gaussian structure is presented to describe the multi-scale structural relationship. Then, a space-time statistical matching method is proposed to achieve two similarity matrices on both large and small scales, which combines double hierarchical structural constraints in model by both the neighboring Gaussian structure and the 3D LARK local structure. Finally, the double hierarchical similarity is fused and analyzed to detect actions. Besides, the multi-scale composite template extends the model application into multi-view. Experimental results of DMSM on the complex visual tracker benchmark data sets and THUMOS 2014 data sets show the promising performance. Compared with other state-of-the-art algorithm, DMSM achieves superior performances.

Action detection by double hierarchical multi-structure space–time statistical matching model

NASA Astrophysics Data System (ADS)

Han, Jing; Zhu, Junwei; Cui, Yiyin; Bai, Lianfa; Yue, Jiang

2018-06-01

Aimed at the complex information in videos and low detection efficiency, an actions detection model based on neighboring Gaussian structure and 3D LARK features is put forward. We exploit a double hierarchical multi-structure space-time statistical matching model (DMSM) in temporal action localization. First, a neighboring Gaussian structure is presented to describe the multi-scale structural relationship. Then, a space-time statistical matching method is proposed to achieve two similarity matrices on both large and small scales, which combines double hierarchical structural constraints in model by both the neighboring Gaussian structure and the 3D LARK local structure. Finally, the double hierarchical similarity is fused and analyzed to detect actions. Besides, the multi-scale composite template extends the model application into multi-view. Experimental results of DMSM on the complex visual tracker benchmark data sets and THUMOS 2014 data sets show the promising performance. Compared with other state-of-the-art algorithm, DMSM achieves superior performances.

Aboriginal health workers experience multilevel barriers to quitting smoking: a qualitative study.

PubMed

Dawson, Anna P; Cargo, Margaret; Stewart, Harold; Chong, Alwin; Daniel, Mark

2012-05-23

Long-term measures to reduce tobacco consumption in Australia have had differential effects in the population. The prevalence of smoking in Aboriginal peoples is currently more than double that of the non-Aboriginal population. Aboriginal Health Workers are responsible for providing primary health care to Aboriginal clients including smoking cessation programs. However, Aboriginal Health Workers are frequently smokers themselves, and their smoking undermines the smoking cessation services they deliver to Aboriginal clients. An understanding of the barriers to quitting smoking experienced by Aboriginal Health Workers is needed to design culturally relevant smoking cessation programs. Once smoking is reduced in Aboriginal Health Workers, they may then be able to support Aboriginal clients to quit smoking. We undertook a fundamental qualitative description study underpinned by social ecological theory. The research was participatory, and academic researchers worked in partnership with personnel from the local Aboriginal health council. The barriers Aboriginal Health Workers experience in relation to quitting smoking were explored in 34 semi-structured interviews (with 23 Aboriginal Health Workers and 11 other health staff) and 3 focus groups (n = 17 participants) with key informants. Content analysis was performed on transcribed text and interview notes. Aboriginal Health Workers spoke of burdensome stress and grief which made them unable to prioritise quitting smoking. They lacked knowledge about quitting and access to culturally relevant quitting resources. Interpersonal obstacles included a social pressure to smoke, social exclusion when quitting, and few role models. In many workplaces, smoking was part of organisational culture and there were challenges to implementation of Smokefree policy. Respondents identified inadequate funding of tobacco programs and a lack of Smokefree public spaces as policy level barriers. The normalisation of smoking in Aboriginal society was an overarching challenge to quitting. Aboriginal Health Workers experience multilevel barriers to quitting smoking that include personal, social, cultural and environmental factors. Multidimensional smoking cessation programs are needed that reduce the stress and burden for Aboriginal Health Workers; provide access to culturally relevant quitting resources; and address the prevailing normalisation of smoking in the family, workplace and community.

Aboriginal Health Workers experience multilevel barriers to quitting smoking: a qualitative study

PubMed Central

2012-01-01

Introduction Long-term measures to reduce tobacco consumption in Australia have had differential effects in the population. The prevalence of smoking in Aboriginal peoples is currently more than double that of the non-Aboriginal population. Aboriginal Health Workers are responsible for providing primary health care to Aboriginal clients including smoking cessation programs. However, Aboriginal Health Workers are frequently smokers themselves, and their smoking undermines the smoking cessation services they deliver to Aboriginal clients. An understanding of the barriers to quitting smoking experienced by Aboriginal Health Workers is needed to design culturally relevant smoking cessation programs. Once smoking is reduced in Aboriginal Health Workers, they may then be able to support Aboriginal clients to quit smoking. Methods We undertook a fundamental qualitative description study underpinned by social ecological theory. The research was participatory, and academic researchers worked in partnership with personnel from the local Aboriginal health council. The barriers Aboriginal Health Workers experience in relation to quitting smoking were explored in 34 semi-structured interviews (with 23 Aboriginal Health Workers and 11 other health staff) and 3 focus groups (n = 17 participants) with key informants. Content analysis was performed on transcribed text and interview notes. Results Aboriginal Health Workers spoke of burdensome stress and grief which made them unable to prioritise quitting smoking. They lacked knowledge about quitting and access to culturally relevant quitting resources. Interpersonal obstacles included a social pressure to smoke, social exclusion when quitting, and few role models. In many workplaces, smoking was part of organisational culture and there were challenges to implementation of Smokefree policy. Respondents identified inadequate funding of tobacco programs and a lack of Smokefree public spaces as policy level barriers. The normalisation of smoking in Aboriginal society was an overarching challenge to quitting. Conclusions Aboriginal Health Workers experience multilevel barriers to quitting smoking that include personal, social, cultural and environmental factors. Multidimensional smoking cessation programs are needed that reduce the stress and burden for Aboriginal Health Workers; provide access to culturally relevant quitting resources; and address the prevailing normalisation of smoking in the family, workplace and community. PMID:22621767

The V + I defects in diamond: An ab initio investigation of the electronic structure, of the Raman and IR spectra, and of their possible recombination.

PubMed

Salustro, S; Nöel, Y; Zicovich-Wilson, C M; Olivero, P; Dovesi, R

2016-11-14

The double defect in diamond, vacancy (V) plus 〈100〉 self-split-interstitial (V+I), is investigated at the ab initio quantum mechanical level, by considering the vicinal case VI 1 (V is one of the first neighbors of one of the two C atoms constituting the I defect) and the two possible "second neighbors" cases, VI 2 D , VI 2 S , in which a carbon atom is a first neighbor of both V and I. The case in which the two defects are at a larger distance is simulated by considering the two isolated defects separately (VI ∞ ). A 6-21G local Gaussian-type basis set and the B3LYP hybrid functional are used for most of the calculations; richer basis sets and other functionals (a global hybrid as PBE0, a range-separated hybrid as HSE06, LDA, PBE, and Hartree-Fock) have also been used for comparison. With this computational approach we evaluate the energy difference between the various spin states, the location of the corresponding bands in the energy gap of pristine diamond, as well as the defect formation energy of the four defects. The path for the recombination of V and I is explored for the vicinal case, by using the distinguished reaction coordinate strategy. A barrier as high as 0.75 eV is found with B3LYP between VI 1 and the perfect diamond recombined structure; when other hybrids are used, as PBE0 or HSE06, the barrier increases up to 1.01 eV (pure density functional theory produces lower barriers: 0.62 and 0.67 for PBE and LDA, respectively). Such a barrier is lower than the one estimated in a very indirect way through experimental data, ranging from 1.3 to 1.7 eV. It confirms however the evidence of the extremely low recombination rate also at high temperature. The Raman (and IR) spectra of the various defects are generated, which permit one to unambiguously attribute to these defects (thanks also to the graphical animation of the modes) many of the peaks observed in damaged diamond above the dominant peak of perfect bulk. For the residual non-attributed peaks, more complicated aggregations of defects should be explored.

Materials science and integration bases for fabrication of (BaxSr1-x)TiO3 thin film capacitors with layered Cu-based electrodes

NASA Astrophysics Data System (ADS)

Fan, W.; Kabius, B.; Hiller, J. M.; Saha, S.; Carlisle, J. A.; Auciello, O.; Chang, R. P. H.; Ramesh, R.

2003-11-01

The synthesis and fundamental material properties of layered TiAl/Cu/Ta electrodes were investigated to achieve the integration of Cu electrodes with high-dielectric constant (κ) oxide thin films for application to the fabrication of high-frequency devices. The Ta layer is an excellent diffusion barrier to inhibit deleterious Cu diffusion into the Si substrate, while the TiAl layer provides an excellent barrier against oxygen diffusion into the Cu layer to inhibit Cu oxidation during the growth of the high-κ layer in an oxygen atmosphere. Polycrystalline (BaxSr1-x)TiO3 (BST) thin films were grown on the Cu-based bottom electrode by rf magnetron sputtering at temperatures in the range 400-600 °C in oxygen, to investigate the performance of BST/Cu-based capacitors. Characterization of the Cu-based layered structure using surface analytical methods showed that two amorphous oxide layers were formed on both sides of the TiAl barrier, such that the oxide layer on the free surface of the TiAl layer correlates with TiAlOx, while the oxide layer at the TiAl/Cu interface is an Al2O3-rich layer. This double amorphous barrier layer structure effectively prevents oxygen penetration towards the underlying Cu and Ta layers. The TiAlOx interfacial layer, which has a relatively low dielectric constant compared with BST, reduced the total capacitance of the BST thin film capacitors. In addition, the layered electrode-oxide interface roughening observed during the growth of BST films at high temperature, due to copper grain growth, resulted in large dielectric loss on the fabricated BST capacitors. These problems were solved by growing the BST layer at 450 °C followed by a rapid thermal annealing at 700 °C. This process significantly reduced the thickness of the TiAlOx layer and interface roughness resulting in BST capacitors exhibiting properties suitable for the fabrication of high-performance high-frequency devices. In summary, relatively high dielectric constant (280), low dielectric loss (0.007), and low leakage current (<2×10-8 A/cm2 at 100 kV/cm) were achieved for BST thin film capacitors with Cu-based electrodes.

Jobs: women's double burden.

PubMed

1995-01-01

Whereas international conventions and national laws provide equal opportunities for women in employment, the reality of women's lives keeps a disproportionate number of women unemployed, underemployed, and living in poverty. The UN itself, which officially is working toward equity among its employees, has a staff composed of just 32.6% women, and women comprise only 10.5% of the top end of the hierarchy. In areas where women's labor force participation has increased dramatically, women typically earn 30-40% less than men doing the same job or else their employment is limited to "traditional female" service positions. The fact that women and girls have received an inadequate education makes it extremely difficult to break the barriers of discrimination in developing countries. The empowerment of women will break the education barrier, and, when that falls, many other barriers will follow suit. Efforts are already underway to break structural barriers caused by economic and social policies. For example, a more flexible pattern of work has been proposed which will include the voluntary assumption of flexible hours, job-sharing, and part-time work. The concept of work is also being broadened to include the important human services that women traditionally provide on a volunteer basis. This will lead to a valuation of women's contribution to society which can be added to calculations of gross domestic product. Women also need protection as they attempt to eke out a living in the informal sector which has been the traditional avenue for women to earn money. This sector is not protected by law and is subject to extortion by officials and by male competitors. A variety of measures is under consideration to increase the protection of informal sector workers. Women also need protection in the conventional work place, especially as they enter fields traditionally reserved for men. These questions are important even in the context of global unemployment because these issues must be addressed or their resolution to women's disadvantage will gain the mantle of tradition.

Self-assembly of a double-helical complex of sodium.

PubMed

Bell, T W; Jousselin, H

1994-02-03

Spontaneous self-organization of helical and multiple-helical molecular structures occurs on several levels in living organisms. Key examples are alpha-helical polypeptides, double-helical nucleic acids and helical protein structures, including F-actin, microtubules and the protein sheath of the tobacco mosaic virus. Although the self-assembly of double-helical transition-metal complexes bears some resemblance to the molecular organization of double-stranded DNA, selection between monohelical, double-helical and triple-helical structures is determined largely by the size and geometrical preference of the tightly bound metal. Here we present an example of double-helical assembly induced by the weaker and non-directional interactions of an alkali-metal ion with an organic ligand that is pre-organized into a coil. We have characterized the resulting complex by two-dimensional NMR and fast-atom-bombardment mass spectrometry. These results provide a step toward the creation of molecular tubes or ion channels consisting of intertwined coils.

Observations of barrier recombination in GaAs-AlGaAs quantum well structures

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

Blood, P.; Tsui, E.S.; Fletcher, E.D.

1989-05-29

Using laser structures with a window in the contact stripe, we have observed recombination from the wells and barrier regions of GaAs-AlGaAs quantum well lasers. The magnitude of the ratio of emission intensities from the barrier and the well, and the dependence of this ratio upon injection current, are in good agreement with a calculation in which the carrier populations in well and barrier are in thermal equilibrium at the lattice temperature (300 K).

Structuring unbreakable hydrophobic barriers in paper

NASA Astrophysics Data System (ADS)

Nargang, Tobias M.; Kotz, Frederik; Rapp, Bastian E.

2018-02-01

Hydrophobic barriers are one of the key elements of microfluidic paper based analytical devices (μPADs).μPADs are simple and cost efficient and they can be carried out without the need of high standard laboratories. To carry out such a test a method is needed to create stable hydrophobic barriers. Commonly used methods like printing wax or polystyrene have the major drawback that these barriers are stiff and break if bended which means they will no longer be able to retain a liquid sample. Here we present silanes to structure hydrophobic barriers via polycondensation and show a silanization method which combines the advantages of flexible silane/siloxane layers with the short processing times of UV-light based structuring. The barriers are created by using methoxy silanes which are mixed with a photo acid generator (PAG) as photoinitiator. Also a photosensitizer was given to the mixture to increase the effectiveness of the PAG. After the PAG is activated by UV-light the silane is hydrolyzed and coupled to the cellulose via polycondensation. The created hydrophobic barriers are highly stable and do not break if being bended.

Edge Stability and Performance of the ELM-Free Quiescent H-Mode and the Quiescent Double Barrier Mode on DIII-D

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

West, W P; Burrell, K H; Casper, T A

2004-12-03

The quiescent H (QH) mode, an edge localized mode (ELM)-free, high-confinement mode, combines well with an internal transport barrier to form quiescent double barrier (QDB) stationary state, high performance plasmas. The QH-mode edge pedestal pressure is similar to that seen in ELMing phases of the same discharge, with similar global energy confinement. The pedestal density in early ELMing phases of strongly pumped counter injection discharges drops and a transition to QH-mode occurs, leading to lower calculated edge bootstrap current. Plasmas current ramp experiment and ELITE code modeling of edge stability suggest that QH-modes lie near an edge current stability boundary.more » At high triangularity, QH-mode discharges operate at higher pedestal density and pressure, and have achieved ITER level values of {beta}{sub PED} and {nu}*. The QDB achieves performance of {alpha}{sub N}H{sub 89} {approx} 7 in quasi-stationary conditions for a duration of 10 tE, limited by hardware. Recently we demonstrated stationary state QDB discharges with little change in kinetic and q profiles (q{sub 0} > 1) for 2 s, comparable to ELMing ''hybrid scenarios'', yet without the debilitating effects of ELMs. Plasma profile control tools, including electron cyclotron heating and current drive and neutral beam heating, have been demonstrated to control simultaneously the q profile development, the density peaking, impurity accumulation and plasma beta.« less

Application of an ecological framework to examine barriers to the adoption of safer conception strategies by HIV-affected couples.

PubMed

Saleem, Haneefa T; Surkan, Pamela J; Kerrigan, Deanna; Kennedy, Caitlin E

2016-01-01

Safer conception interventions can significantly reduce the risk of horizontal HIV transmission between HIV-serodiscordant partners. However, prior to implementing safer conception interventions, it is essential to understand potential barriers to their adoption so that strategies can be developed to overcome these barriers. This paper examines potential barriers to the adoption of safer conception strategies by HIV-affected couples in Iringa, Tanzania using an ecological framework. We interviewed 30 HIV-positive women, 30 HIV-positive men and 30 health providers engaged in delivering HIV-related services. We also conducted direct observations at five health facilities. Findings suggest that there are multiple barriers to safer conception that operate at the individual, relational, environmental, structural, and super-structural levels. The barriers to safer conception identified are complex and interact across these levels. Barriers at the individual level included antiretroviral adherence, knowledge of HIV status, knowledge and acceptability of safer conception strategies, and poor nutrition. At the relational level, unplanned pregnancies, non-disclosure of status, gendered power dynamics within relationships, and patient-provider interactions posed a threat to safer conception. HIV stigma and distance to health facilities were environmental barriers to safer conception. At the structural level there were multiple barriers to safer conception, including limited safer conception policy guidelines for people living with HIV (PLHIV), lack of health provider training in safer conception strategies and preconception counseling for PLHIV, limited resources, and lack of integration of HIV and sexual and reproductive health services. Poverty and gender norms were super-structural factors that influenced and reinforced barriers to safer conception, which influenced and operated across different levels of the framework. Multi-level interventions are needed to ensure adoption of safer conception strategies and reduce the risk of HIV transmission between partners within HIV-serodiscordant couples.

Solid State Research

DTIC Science & Technology

1987-01-07

Excimer-Laser Projection Lithography 38 4.5 Observation of Millimeter-Wave Oscillations from Resonant- Tunneling Diodes and Some Theroretical...and SIMOX Circuits 32 4-1 Resonant Tunneling Diode Parameters 41 XI INTRODUCTION 1. SOLID STATE DEVICE RESEARCH Optoelectronic switches have...radiation and reflective optics. Oscillation frequencies as high as 56 GHz have been observed from resonant- tunneling double- barrier diodes. Recent

Probability of Flood-Induced Overtopping of Barriers in Watershed-Reservoir-Dam Systems

DTIC Science & Technology

2011-09-01

developed empirical charts to estimate the historical 6-h, 10 mi2 PMP attributable to a uniform storm on such a point within the basin area (USBR 1976, 1977...ENGINEERING © ASCE / SEPTEMBER 2011 / 11 Queries 1. Please provide 10 mi2 in SI units. 2. The double parentheses in the spillway outflow have been

Deck of West 232nd Street overpass, showing wide W beam ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Deck of West 232nd Street overpass, showing wide W beam collision barrier, double-faced wooden guardrail, pedestrian fencing in front of parapet, pedestrian ramp, crosswalk, traffic light, and oversized signage, looking southeast. - Henry Hudson Parkway, Extending 11.2 miles from West 72nd Street to Bronx-Westchester border, New York County, NY

An analytical and experimental investigation of active structural acoustic control of noise transmission through double panel systems

NASA Astrophysics Data System (ADS)

Carneal, James P.; Fuller, Chris R.

2004-05-01

An analytical and experimental investigation of active control of sound transmission through double panel systems has been performed. The technique used was active structural acoustic control (ASAC) where the control inputs, in the form of piezoelectric actuators, were applied to the structure while the radiating pressure field was minimized. Results verify earlier experimental investigations and indicate the application of control inputs to the radiating panel of the double panel system resulted in greater transmission loss (TL) due to its direct effect on the nature of the structural-acoustic (or radiation) coupling between the radiating panel and the receiving acoustic space. Increased control performance was seen in a double panel system consisting of a stiffer radiating panel due to its lower modal density and also as a result of better impedance matching between the piezoelectric actuator and the radiating plate. In general the results validate the ASAC approach for double panel systems, demonstrating that it is possible to take advantage of double panel system passive behavior to enhance control performance, and provide design guidelines.

Sound transmission through stiffened double-panel structures lined with elastic porous materials

NASA Astrophysics Data System (ADS)

Mathur, Gopal P.; Tran, Boi N.; Bolton, J. S.; Shiau, Nae-Ming

This paper presents transmission loss prediction models for a periodically stiffened panel and stiffened double-panel structures using the periodic structure theory. The inter-panel cavity in the double-panels structures can be modeled as being separated by an airspace or filled with an elastic porous layer in various configurations. The acoustic behavior of elastic porous layer is described by a theory capable of accounting fully for multi-dimensional wave propagation in such materials. The predicted transmission loss of a single stiffened panel is compared with the measured data.

Glutamate-Mediated Blood-Brain Barrier Opening: Implications for Neuroprotection and Drug Delivery.

PubMed

Vazana, Udi; Veksler, Ronel; Pell, Gaby S; Prager, Ofer; Fassler, Michael; Chassidim, Yoash; Roth, Yiftach; Shahar, Hamutal; Zangen, Abraham; Raccah, Ruggero; Onesti, Emanuela; Ceccanti, Marco; Colonnese, Claudio; Santoro, Antonio; Salvati, Maurizio; D'Elia, Alessandro; Nucciarelli, Valter; Inghilleri, Maurizio; Friedman, Alon

2016-07-20

The blood-brain barrier is a highly selective anatomical and functional interface allowing a unique environment for neuro-glia networks. Blood-brain barrier dysfunction is common in most brain disorders and is associated with disease course and delayed complications. However, the mechanisms underlying blood-brain barrier opening are poorly understood. Here we demonstrate the role of the neurotransmitter glutamate in modulating early barrier permeability in vivo Using intravital microscopy, we show that recurrent seizures and the associated excessive glutamate release lead to increased vascular permeability in the rat cerebral cortex, through activation of NMDA receptors. NMDA receptor antagonists reduce barrier permeability in the peri-ischemic brain, whereas neuronal activation using high-intensity magnetic stimulation increases barrier permeability and facilitates drug delivery. Finally, we conducted a double-blind clinical trial in patients with malignant glial tumors, using contrast-enhanced magnetic resonance imaging to quantitatively assess blood-brain barrier permeability. We demonstrate the safety of stimulation that efficiently increased blood-brain barrier permeability in 10 of 15 patients with malignant glial tumors. We suggest a novel mechanism for the bidirectional modulation of brain vascular permeability toward increased drug delivery and prevention of delayed complications in brain disorders. In this study, we reveal a new mechanism that governs blood-brain barrier (BBB) function in the rat cerebral cortex, and, by using the discovered mechanism, we demonstrate bidirectional control over brain endothelial permeability. Obviously, the clinical potential of manipulating BBB permeability for neuroprotection and drug delivery is immense, as we show in preclinical and proof-of-concept clinical studies. This study addresses an unmet need to induce transient BBB opening for drug delivery in patients with malignant brain tumors and effectively facilitate BBB closure in neurological disorders. Copyright © 2016 the authors 0270-6474/16/367727-13$15.00/0.

Glutamate-Mediated Blood–Brain Barrier Opening: Implications for Neuroprotection and Drug Delivery

PubMed Central

Vazana, Udi; Veksler, Ronel; Pell, Gaby S.; Prager, Ofer; Fassler, Michael; Chassidim, Yoash; Roth, Yiftach; Shahar, Hamutal; Zangen, Abraham; Raccah, Ruggero; Onesti, Emanuela; Ceccanti, Marco; Colonnese, Claudio; Santoro, Antonio; Salvati, Maurizio; D'Elia, Alessandro; Nucciarelli, Valter; Inghilleri, Maurizio

2016-01-01

The blood–brain barrier is a highly selective anatomical and functional interface allowing a unique environment for neuro-glia networks. Blood–brain barrier dysfunction is common in most brain disorders and is associated with disease course and delayed complications. However, the mechanisms underlying blood–brain barrier opening are poorly understood. Here we demonstrate the role of the neurotransmitter glutamate in modulating early barrier permeability in vivo. Using intravital microscopy, we show that recurrent seizures and the associated excessive glutamate release lead to increased vascular permeability in the rat cerebral cortex, through activation of NMDA receptors. NMDA receptor antagonists reduce barrier permeability in the peri-ischemic brain, whereas neuronal activation using high-intensity magnetic stimulation increases barrier permeability and facilitates drug delivery. Finally, we conducted a double-blind clinical trial in patients with malignant glial tumors, using contrast-enhanced magnetic resonance imaging to quantitatively assess blood–brain barrier permeability. We demonstrate the safety of stimulation that efficiently increased blood–brain barrier permeability in 10 of 15 patients with malignant glial tumors. We suggest a novel mechanism for the bidirectional modulation of brain vascular permeability toward increased drug delivery and prevention of delayed complications in brain disorders. SIGNIFICANCE STATEMENT In this study, we reveal a new mechanism that governs blood–brain barrier (BBB) function in the rat cerebral cortex, and, by using the discovered mechanism, we demonstrate bidirectional control over brain endothelial permeability. Obviously, the clinical potential of manipulating BBB permeability for neuroprotection and drug delivery is immense, as we show in preclinical and proof-of-concept clinical studies. This study addresses an unmet need to induce transient BBB opening for drug delivery in patients with malignant brain tumors and effectively facilitate BBB closure in neurological disorders. PMID:27445149

Ideal MHD Stability Prediction and Required Power for EAST Advanced Scenario

NASA Astrophysics Data System (ADS)

Chen, Junjie; Li, Guoqiang; Qian, Jinping; Liu, Zixi

2012-11-01

The Experimental Advanced Superconducting Tokamak (EAST) is the first fully superconducting tokamak with a D-shaped cross-sectional plasma presently in operation. The ideal magnetohydrodynamic (MHD) stability and required power for the EAST advanced tokamak (AT) scenario with negative central shear and double transport barrier (DTB) are investigated. With the equilibrium code TOQ and stability code GATO, the ideal MHD stability is analyzed. It is shown that a moderate ratio of edge transport barriers' (ETB) height to internal transport barriers' (ITBs) height is beneficial to ideal MHD stability. The normalized beta βN limit is about 2.20 (without wall) and 3.70 (with ideal wall). With the scaling law of energy confinement time, the required heating power for EAST AT scenario is calculated. The total heating power Pt increases as the toroidal magnetic field BT or the normalized beta βN is increased.

Examining breast cancer screening barriers among Central American and Mexican immigrant women: fatalistic beliefs or structural factors?

PubMed

De Jesus, Maria; Miller, Eva B

2015-01-01

Researchers have examined "cancer fatalism" (the belief that cancer is predetermined, beyond individual control, and necessarily fatal) as a major barrier to breast cancer screening among Latinas. The authors examine perceptions of breast cancer, its causes, and experiences with screening among Salvadoran, Guatemalan, Mexican, and Bolivian immigrant women in Washington, DC. Two salient themes emerged: (a) perceptions of breast cancer causes and breast cancer screening; and (b) structural factors are the real barriers to breast cancer screening. Findings demonstrate participants' awareness and motivation to get screened and elucidate structural barriers that are obscured by the discourse of fatalism and hinder breast cancer screening.

Correlative study of functional and structural regeneration of urothelium after chitosan-induced injury.

PubMed

Erman, Andreja; Kerec Kos, Mojca; Žakelj, Simon; Resnik, Nataša; Romih, Rok; Veranič, Peter

2013-11-01

High transepithelial electrical resistance (TEER) demonstrates a functional permeability barrier of the normal urothelium, which is maintained by a layer of highly differentiated superficial cells. When the barrier is challenged, a quick regeneration is induced. We used side-by-side diffusion chambers as an ex vivo system to determine the time course of functional and structural urothelial regeneration after chitosan-induced injury. The exposure of the urothelium to chitosan caused a 60 % decrease in TEER, the exposure of undifferentiated urothelial cells to the luminal surface and leaky tight junctions. During the regeneration period (350 min), TEER recovered to control values after approximately 200 min, while structural regeneration continued until 350 min after injury. The tight junctions are the earliest and predominant component of the barrier to appear, while complete barrier regeneration is achieved by delayed superficial cell terminal differentiation. The barrier function and the structure of untreated urothelium were unaffected in side-by-side diffusion chambers for at least 6 h. The urinary bladder tissue excised from an animal thus retains the ability to maintain and restore the transepithelial barrier and cellular ultrastructure for a sufficient period to allow for studies of regeneration in ex vivo conditions.

10 CFR 50.36 - Technical specifications.

Code of Federal Regulations, 2011 CFR

2011-01-01

... presents a challenge to the integrity of a fission product barrier. (C) Criterion 3. A structure, system... integrity of a fission product barrier. (D) Criterion 4. A structure, system, or component which operating...

Sound transmission through triple-panel structures lined with poroelastic materials

NASA Astrophysics Data System (ADS)

Liu, Yu

2015-03-01

In this paper, previous theories on the prediction of sound transmission loss for a double-panel structure lined with poroelastic materials are extended to address the problem of a triple-panel structure. Six typical configurations are considered for a triple-panel structure based on the method of coupling the porous layers to the facing panels which determines critically the sound insulation performance of the system. The transfer matrix method is employed to solve the system by applying appropriate types of boundary conditions for these configurations. The transmission loss of the triple-panel structures in a diffuse sound field is calculated as a function of frequency and compared with that of corresponding double-panel structures. Generally, the triple-panel structure with poroelastic linings has superior acoustic performance to the double-panel counterpart, remarkably in the mid-high frequency range and possibly at low frequencies, by selecting appropriate configurations in which those with two air gaps in the structure exhibit the best overall performance over the entire frequency range. The poroelastic lining significantly lowers the cut-on frequency above which the triple-panel structure exhibits noticeably higher transmission loss. Compared with a double-panel structure, the wider range of system parameters for a triple-panel structure due to the additional partition provides more design space for tuning the sound insulation performance. Despite the increased structural complexity, the triple-panel structure lined with poroelastic materials has the obvious advantages in sound transmission loss while without the penalties in weight and volume, and is hence a promising replacement for the widely used double-panel sandwich structure.

Deformation effect simulation and optimization for double front axle steering mechanism

NASA Astrophysics Data System (ADS)

Wu, Jungang; Zhang, Siqin; Yang, Qinglong

2013-03-01

This paper research on tire wear problem of heavy vehicles with Double Front Axle Steering Mechanism from the flexible effect of Steering Mechanism, and proposes a structural optimization method which use both traditional static structural theory and dynamic structure theory - Equivalent Static Load (ESL) method to optimize key parts. The good simulated and test results show this method has high engineering practice and reference value for tire wear problem of Double Front Axle Steering Mechanism design.

Monitoring of Beachsaver Reef with Filter Blanket and Double-T Sill at Cape May Point, New Jersey, Section 227 Demonstration Site; First Year Monitoring - 2002-2003

DTIC Science & Technology

2005-07-01

evaluate the functional, structural, and economic performance of the patented Beachsaver Reef prefabricated concrete submerged breakwater and the less...expensive prefabricated concrete structure called a Double-T sill. This demonstration project was developed through a cooperative effort of the U.S...patented Beachsaver Reef prefabricated concrete submerged breakwater and a less expensive, prefabricated concrete structure called a Double-T sill. Data

RNAHelix: computational modeling of nucleic acid structures with Watson-Crick and non-canonical base pairs.

PubMed

Bhattacharyya, Dhananjay; Halder, Sukanya; Basu, Sankar; Mukherjee, Debasish; Kumar, Prasun; Bansal, Manju

2017-02-01

Comprehensive analyses of structural features of non-canonical base pairs within a nucleic acid double helix are limited by the availability of a small number of three dimensional structures. Therefore, a procedure for model building of double helices containing any given nucleotide sequence and base pairing information, either canonical or non-canonical, is seriously needed. Here we describe a program RNAHelix, which is an updated version of our widely used software, NUCGEN. The program can regenerate duplexes using the dinucleotide step and base pair orientation parameters for a given double helical DNA or RNA sequence with defined Watson-Crick or non-Watson-Crick base pairs. The original structure and the corresponding regenerated structure of double helices were found to be very close, as indicated by the small RMSD values between positions of the corresponding atoms. Structures of several usual and unusual double helices have been regenerated and compared with their original structures in terms of base pair RMSD, torsion angles and electrostatic potentials and very high agreements have been noted. RNAHelix can also be used to generate a structure with a sequence completely different from an experimentally determined one or to introduce single to multiple mutation, but with the same set of parameters and hence can also be an important tool in homology modeling and study of mutation induced structural changes.

Performance characteristics of a nanoscale double-gate reconfigurable array

NASA Astrophysics Data System (ADS)

Beckett, Paul

2008-12-01

The double gate transistor is a promising device applicable to deep sub-micron design due to its inherent resistance to short-channel effects and superior subthreshold performance. Using both TCAD and SPICE circuit simulation, it is shown that the characteristics of fully depleted dual-gate thin-body Schottky barrier silicon transistors will not only uncouple the conflicting requirements of high performance and low standby power in digital logic, but will also allow the development of a locally-connected reconfigurable computing mesh. The magnitude of the threshold shift effect will scale with device dimensions and will remain compatible with oxide reliability constraints. A field-programmable architecture based on the double gate transistor is described in which the operating point of the circuit is biased via one gate while the other gate is used to form the logic array, such that complex heterogeneous computing functions may be developed from this homogeneous, mesh-connected organization.

Si/Ge double-layered nanotube array as a lithium ion battery anode.

PubMed

Song, Taeseup; Cheng, Huanyu; Choi, Heechae; Lee, Jin-Hyon; Han, Hyungkyu; Lee, Dong Hyun; Yoo, Dong Su; Kwon, Moon-Seok; Choi, Jae-Man; Doo, Seok Gwang; Chang, Hyuk; Xiao, Jianliang; Huang, Yonggang; Park, Won Il; Chung, Yong-Chae; Kim, Hansu; Rogers, John A; Paik, Ungyu

2012-01-24

Problems related to tremendous volume changes associated with cycling and the low electron conductivity and ion diffusivity of Si represent major obstacles to its use in high-capacity anodes for lithium ion batteries. We have developed a group IVA based nanotube heterostructure array, consisting of a high-capacity Si inner layer and a highly conductive Ge outer layer, to yield both favorable mechanics and kinetics in battery applications. This type of Si/Ge double-layered nanotube array electrode exhibits improved electrochemical performances over the analogous homogeneous Si system, including stable capacity retention (85% after 50 cycles) and doubled capacity at a 3C rate. These results stem from reduced maximum hoop strain in the nanotubes, supported by theoretical mechanics modeling, and lowered activation energy barrier for Li diffusion. This electrode technology creates opportunities in the development of group IVA nanotube heterostructures for next generation lithium ion batteries. © 2011 American Chemical Society

Physical mechanisms of active control of sound transmission through rib stiffened double-panel structure

NASA Astrophysics Data System (ADS)

Ma, Xiyue; Chen, Kean; Ding, Shaohu; Yu, Haoxin

2016-06-01

This paper presents an analytical investigation on physical mechanisms of actively controlling sound transmission through a rib stiffened double-panel structure using point source in the cavity. The combined modal expansion and vibro-acoustic coupling methods are applied to establish the theoretical model of such active structure. Under the condition of minimizing radiated power of the radiating ribbed plate, the physical mechanisms are interpreted in detail from the point of view of modal couplings similar as that used in existed literatures. Results obtained demonstrate that the rule of sound energy transmission and the physical mechanisms for the rib stiffened double-panel structure are all changed, and affected by the coupling effects of the rib when compared with the analytical results obtained for unribbed double-panel case. By taking the coupling effects of the rib into considerations, the cavity modal suppression and rearrangement mechanisms obtained in existed investigations are modified and supplemented for the ribbed plate case, which gives a clear interpretation for the physical nature involved in the active rib stiffened double-panel structure.

Microphysical variability of Amazonian deep convective cores observed by CloudSat and simulated by a multi-scale modeling framework

NASA Astrophysics Data System (ADS)

Brant Dodson, J.; Taylor, Patrick C.; Branson, Mark

2018-05-01

Recently launched cloud observing satellites provide information about the vertical structure of deep convection and its microphysical characteristics. In this study, CloudSat reflectivity data is stratified by cloud type, and the contoured frequency by altitude diagrams reveal a double-arc structure in deep convective cores (DCCs) above 8 km. This suggests two distinct hydrometeor modes (snow versus hail/graupel) controlling variability in reflectivity profiles. The day-night contrast in the double arcs is about four times larger than the wet-dry season contrast. Using QuickBeam, the vertical reflectivity structure of DCCs is analyzed in two versions of the Superparameterized Community Atmospheric Model (SP-CAM) with single-moment (no graupel) and double-moment (with graupel) microphysics. Double-moment microphysics shows better agreement with observed reflectivity profiles; however, neither model variant captures the double-arc structure. Ultimately, the results show that simulating realistic DCC vertical structure and its variability requires accurate representation of ice microphysics, in particular the hail/graupel modes, though this alone is insufficient.

Unipolar Barrier Dual-Band Infrared Detectors

NASA Technical Reports Server (NTRS)

Ting, David Z. (Inventor); Soibel, Alexander (Inventor); Khoshakhlagh, Arezou (Inventor); Gunapala, Sarath (Inventor)

2017-01-01

Dual-band barrier infrared detectors having structures configured to reduce spectral crosstalk between spectral bands and/or enhance quantum efficiency, and methods of their manufacture are provided. In particular, dual-band device structures are provided for constructing high-performance barrier infrared detectors having reduced crosstalk and/or enhance quantum efficiency using novel multi-segmented absorber regions. The novel absorber regions may comprise both p-type and n-type absorber sections. Utilizing such multi-segmented absorbers it is possible to construct any suitable barrier infrared detector having reduced crosstalk, including npBPN, nBPN, pBPN, npBN, npBP, pBN and nBP structures. The pBPN and pBN detector structures have high quantum efficiency and suppresses dark current, but has a smaller etch depth than conventional detectors and does not require a thick bottom contact layer.

STRUCTURAL AND HIDDEN BARRIERS TO A LOCAL PRIMARY HEALTH CARE INFRASTRUCTURE: AUTONOMY, DECISIONS ABOUT PRIMARY HEALTH CARE, AND THE CENTRALITY AND SIGNIFICANCE OF POWER.

PubMed

Freed, Christopher R; Hansberry, Shantisha T; Arrieta, Martha I

2013-09-01

To examine a local primary health care infrastructure and the reality of primary health care from the perspective of residents of a small, urban community in the southern United States. Data derive from 13 semi-structured focus groups, plus three semi-structured interviews, and were analyzed inductively consistent with a grounded theory approach. Structural barriers to the local primary health care infrastructure include transportation, clinic and appointment wait time, and co-payments and health insurance. Hidden barriers consist of knowledge about local health care services, non-physician gatekeepers, and fear of medical care. Community residents have used home remedies and the emergency department at the local academic medical center to manage these structural and hidden barriers. Findings might not generalize to primary health care infrastructures in other communities, respondent perspectives can be biased, and the data are subject to various interpretations and conceptual and thematic frameworks. Nevertheless, the structural and hidden barriers to the local primary health care infrastructure have considerably diminished the autonomy community residents have been able to exercise over their decisions about primary health care, ultimately suggesting that efforts concerned with increasing the access of medically underserved groups to primary health care in local communities should recognize the centrality and significance of power. This study addresses a gap in the sociological literature regarding the impact of specific barriers to primary health care among medically underserved groups.

Transmission loss of orthogonally rib-stiffened double-panel structures with cavity absorption.

PubMed

Xin, F X; Lu, T J

2011-04-01

The transmission loss of sound through infinite orthogonally rib-stiffened double-panel structures having cavity-filling fibrous sound absorptive materials is theoretically investigated. The propagation of sound across the fibrous material is characterized using an equivalent fluid model, and the motions of the rib-stiffeners are described by including all possible vibrations, i.e., flexural displacements, bending, and torsional rotations. The effects of fluid-structure coupling are account for by enforcing velocity continuity conditions at fluid-panel interfaces. By taking full advantage of the periodic nature of the double-panel, the space-harmonic approach and virtual work principle are applied to solve the sets of resultant governing equations, which are eventually truncated as a finite system of simultaneous algebraic equations and numerically solved insofar as the solution converges. To validate the proposed model, a comparison between the present model predictions and existing numerical and experimental results for a simplified version of the double-panel structure is carried out, with overall agreement achieved. The model is subsequently employed to explore the influence of the fluid-structure coupling between fluid in the cavity and the two panels on sound transmission across the orthogonally rib-stiffened double-panel structure. Obtained results demonstrate that this fluid-structure coupling affects significantly sound transmission loss (STL) at low frequencies and cannot be ignored when the rib-stiffeners are sparsely distributed. As a highlight of this research, an integrated optimal algorithm toward lightweight, high-stiffness and superior sound insulation capability is proposed, based on which a preliminary optimal design of the double-panel structure is performed.

Influence of gender and race/ethnicity on perceived barriers to help-seeking for alcohol or drug problems.

PubMed

Verissimo, Angie Denisse Otiniano; Grella, Christine E

2017-04-01

This study examines reasons why people do not seek help for alcohol or drug problems by gender and race/ethnicity using data from the National Epidemiologic Survey on Alcohol and Related Conditions (NESARC), a nationally representative survey. Multivariate models were fit for 3 barriers to seeking help (structural, attitudinal, and readiness for change) for either alcohol or drug problems, controlling for socio-demographic characteristics and problem severity. Predicted probabilities were generated to evaluate gender differences by racial/ethnic subgroups. Over three quarters of the samples endorsed attitudinal barriers related to either alcohol or drug use. Generally, women were less likely to endorse attitudinal barriers for alcohol problems. African Americans and Latina/os were less likely than Whites to endorse attitudinal barriers for alcohol problems, Latina/os were less likely than Whites to endorse readiness for change barriers for alcohol and drug problems, however, African Americans were more likely to endorse structural barriers for alcohol problems. Comparisons within racial/ethnic subgroups by gender revealed more complex findings, although across all racial/ethnic groups women endorsed attitudinal barriers for alcohol problems more than men. Study findings suggest the need to tailor interventions to increase access to help for alcohol and drug problems that take into consideration both attitudinal and structural barriers and how these vary across groups. Copyright © 2017 Elsevier Inc. All rights reserved.

Influence of Gender and Race/Ethnicity on Perceived Barriers to Help-Seeking for Alcohol or Drug Problems

PubMed Central

Verissimo, Angie Denisse Otiniano

2017-01-01

This study examines reasons why people do not seek help for alcohol or drug problems by gender and race/ethnicity using data from the National Epidemiologic Survey on Alcohol and Related Conditions (NESARC), a nationally representative survey. Multivariate models were fit for 3 barriers to seeking help (structural, attitudinal, and readiness for change) for either alcohol or drug problems, controlling for socio-demographic characteristics and problem severity. Predicted probabilities were generated to evaluate gender differences by racial/ethnic subgroups. Over three quarters of the samples endorsed attitudinal barriers related to either alcohol or drug use. Generally, women were less likely to endorse attitudinal barriers for alcohol problems. African Americans and Latina/os were less likely than Whites to endorse attitudinal barriers for alcohol problems, Latina/os were less likely than Whites to endorse readiness for change barriers for alcohol and drug problems, however, African Americans were more likely to endorse structural barriers for alcohol problems. Comparisons within racial/ethnic subgroups by gender revealed more complex findings, although across all racial/ethnic groups women endorsed attitudinal barriers for alcohol problems more than men. Study findings suggest the need to tailor interventions to increase access to help for alcohol and drug problems that take into consideration both attitudinal and structural barriers and how these vary across groups. PMID:28237055

Barriers to mental health treatment: results from the WHO World Mental Health surveys.

PubMed

Andrade, L H; Alonso, J; Mneimneh, Z; Wells, J E; Al-Hamzawi, A; Borges, G; Bromet, E; Bruffaerts, R; de Girolamo, G; de Graaf, R; Florescu, S; Gureje, O; Hinkov, H R; Hu, C; Huang, Y; Hwang, I; Jin, R; Karam, E G; Kovess-Masfety, V; Levinson, D; Matschinger, H; O'Neill, S; Posada-Villa, J; Sagar, R; Sampson, N A; Sasu, C; Stein, D J; Takeshima, T; Viana, M C; Xavier, M; Kessler, R C

2014-04-01

To examine barriers to initiation and continuation of mental health treatment among individuals with common mental disorders. Data were from the World Health Organization (WHO) World Mental Health (WMH) surveys. Representative household samples were interviewed face to face in 24 countries. Reasons to initiate and continue treatment were examined in a subsample (n = 63,678) and analyzed at different levels of clinical severity. Among those with a DSM-IV disorder in the past 12 months, low perceived need was the most common reason for not initiating treatment and more common among moderate and mild than severe cases. Women and younger people with disorders were more likely to recognize a need for treatment. A desire to handle the problem on one's own was the most common barrier among respondents with a disorder who perceived a need for treatment (63.8%). Attitudinal barriers were much more important than structural barriers to both initiating and continuing treatment. However, attitudinal barriers dominated for mild-moderate cases and structural barriers for severe cases. Perceived ineffectiveness of treatment was the most commonly reported reason for treatment drop-out (39.3%), followed by negative experiences with treatment providers (26.9% of respondents with severe disorders). Low perceived need and attitudinal barriers are the major barriers to seeking and staying in treatment among individuals with common mental disorders worldwide. Apart from targeting structural barriers, mainly in countries with poor resources, increasing population mental health literacy is an important endeavor worldwide.

Barriers to Mental Health Treatment: Results from the WHO World Mental Health (WMH) Surveys

PubMed Central

Andrade, L. H.; Alonso, J.; Mneimneh, Z.; Wells, J. E.; Al-Hamzawi, A.; Borges, G.; Bromet, E.; Bruffaerts, R.; de Girolamo, G.; de Graaf, R.; Florescu, S.; Gureje, O.; Hinkov, H. R.; Hu, C.; Huang, Y.; Hwang, I.; Jin, R.; Karam, E. G.; Kovess-Masfety, V.; Levinson, D.; Matschinger, H.; O’Neill, S.; Posada-Villa, J.; Sagar, R.; Sampson, N. A.; Sasu, C.; Stein, D.; Takeshima, T.; Viana, M. C.; Xavier, M.; Kessler, R. C.

2014-01-01

Background To examine barriers to initiation and continuation of mental health treatment among individuals with common mental disorders. Methods Data are from the WHO World Mental Health (WMH) Surveys. Representative household samples were interviewed face-to-face in 24 countries. Reasons to initiate and continue treatment were examined in a subsample (n= 63,678) and analyzed at different levels of clinical severity. Results Among those with a DSM-IV disorder in the past twelve months, low perceived need was the most common reason for not initiating treatment and more common among moderate and mild than severe cases. Women and younger people with disorders were more likely to recognize a need for treatment. Desire to handle the problem on one’s own was the most common barrier among respondents with a disorder who perceived a need for treatment (63.8%). Attitudinal barriers were much more important than structural barriers both to initiating and continuing treatment. However, attitudinal barriers dominated for mild-moderate cases and structural barriers for severe cases. Perceived ineffectiveness of treatment was the most commonly reported reason for treatment dropout (39.3%) followed by negative experiences with treatment providers (26.9% of respondents with severe disorders). Conclusions Low perceived need and attitudinal barriers are the major barriers to seeking and staying in treatment among individuals with common mental disorders worldwide. Apart from targeting structural barriers, mainly in countries with poor resources, increasing population mental health literacy is an important endeavor worldwide. PMID:23931656

Structural analysis of nucleosomal barrier to transcription.

PubMed

Gaykalova, Daria A; Kulaeva, Olga I; Volokh, Olesya; Shaytan, Alexey K; Hsieh, Fu-Kai; Kirpichnikov, Mikhail P; Sokolova, Olga S; Studitsky, Vasily M

2015-10-27

Thousands of human and Drosophila genes are regulated at the level of transcript elongation and nucleosomes are likely targets for this regulation. However, the molecular mechanisms of formation of the nucleosomal barrier to transcribing RNA polymerase II (Pol II) and nucleosome survival during/after transcription remain unknown. Here we show that both DNA-histone interactions and Pol II backtracking contribute to formation of the barrier and that nucleosome survival during transcription likely occurs through allosterically stabilized histone-histone interactions. Structural analysis indicates that after Pol II encounters the barrier, the enzyme backtracks and nucleosomal DNA recoils on the octamer, locking Pol II in the arrested state. DNA is displaced from one of the H2A/H2B dimers that remains associated with the octamer. The data reveal the importance of intranucleosomal DNA-protein and protein-protein interactions during conformational changes in the nucleosome structure on transcription. Mechanisms of nucleosomal barrier formation and nucleosome survival during transcription are proposed.

Role of structural barriers in the in vitro bioaccessibility of anthocyanins in comparison with carotenoids.

PubMed

Carrillo, Celia; Buvé, Carolien; Panozzo, Agnese; Grauwet, Tara; Hendrickx, Marc

2017-07-15

Although natural structural barriers are factors limiting nutrient bioaccessibility, their specific role in anthocyanin bioaccessibility is still unknown. To better understand how natural barriers govern bioactive compound bioaccessibility, an experimental approach comparing anthocyanins and carotenoids was designed, using a single plant matrix. Initial results revealed increased anthocyanin bioaccessibility in masticated black carrot. To explain this observation, samples with increasing levels of bioencapsulation (free-compound, homogenized-puree, puree) were examined. While carotenoid bioaccessibility was inversely proportional to the level of bioencapsulation, barrier disruption did not increase anthocyanin bioaccessibility. This means that mechanical processing is of particular importance in the case of carotenoid bioaccessibility. While micelle incorporation is the limiting factor for carotenoid bioaccessibility, anthocyanin degradation under alkaline conditions in the gastrointestinal tract dominates. In the absence of structural barriers, anthocyanin bioaccessibility is greater than that of carotenoids. Copyright © 2017 Elsevier Ltd. All rights reserved.

Influence of the solid dielectric over the electric field from the ozone cell gap with double dielectric barrier

NASA Astrophysics Data System (ADS)

Ganea, I.

2017-05-01

The distilled water has the advantage of high value dielectric constant (ε = 81) in relation to ceramic glass materials, currently used for constructing the dielectric barrier. It was necessary to build a thin-walled enclosure of solid insulating material that contain distilled water to achieve a dielectric barrier. This was necessary to avoid exposing the liquid to the direct action of ozone. Dielectric permittivity of the solid dielectric material and the thickness of these walls have diminished the value of the electric field form the gaseous gap of the ozone cell compared to the case with the dielectric barrier from distilled water. The author of this work deduced theoretical relationships that express the values of the electric field intensity in the gap of the cell with two dielectrics and compared them with similar relationships of the intensity of the electric field from the gap of the ozone cell with one dielectric. In this work the author presenting experimental results which confirm the theoretical deducting regarding the use of the solid dielectric as enclosure for the liquid dielectric.

Superlattice infrared photodetector research at the Jet Propulsion Laboratory

NASA Astrophysics Data System (ADS)

Gunapala, S. D.; Ting, D. Z.; Rafol, S. B.; Soibel, A.; Khoshakhlagh, A.; Hill, C. J.; Höglund, L.; Keo, S. A.; Liu, J. K.; Mumolo, J. M.; Luong, E. M.; Fisher, A.

2015-08-01

III-V semiconductors offer a highly effective platform for the development of sophisticated heterostructure-based MWIR and LWIR detectors, as exemplified by the high-performance double heterstructure (DH) nBn, XBn, and type- II superlattice infrared detectors. A key enabling design element is the unipolar barrier, which is used to implement the complementary barrier infra-red detector (CBIRD) design for increasing the collection efficiency of photogenerated carriers, and reducing dark current generation without impeding photocurrent flow. Heterostructure superlattice detectors that make effective use of unipolar barriers have demonstrated strong reduction of generationrecombination (G-R) dark current due to Shockley-Read-Hall (SRH) processes. In the last several years we solely focused on the development of antimonide based IR detectors. Recently, we demonstrated RoA values over 14,000 Ohm cm2 for a 9.9 μm cutoff device by incorporating electron-blocking and hole-blocking unipolar barriers. This device has shown 300K BLIP operation with f/2 optics at 87 K with blackbody * of 1.1x1011 cm Hz1/2/W.

Enhancing the gate fidelity of silicon-based singlet-triplet qubits under symmetric exchange control using optimized pulse sequences

NASA Astrophysics Data System (ADS)

Zhang, Chengxian; Throckmorton, Robert; Yang, Xu-Chen; Wang, Xin; Barnes, Edwin

We perform Randomized Benchmarking of a family of recently introduced control scheme for singlet-triplet qubits in semiconductor double quantum dots, which is optimized to have substantially shorter gate times. We study their performances under the recently introduced symmetric control scheme of changing the exchange interaction by raising and lowering the barrier between the two dots (barrier control) and compare these results to those under the traditional tilt control method in which the exchange interaction is varied by detuning. It has been suggested that the barrier control method encounters a much smaller charge noise. We found that for the cases where the charge noise is dominant, corresponding to the device made on isotopically enriched silicon, the optimized sequences offer much longer coherence time under barrier control compared to the tilt control method of the strength of the exchange interaction. This work was supported by the Research Grants Council of Hong Kong SAR (No. CityU 21300116) and the National Natural Science Foundation of China (No. 11604277), and by LPS-MPO-CMTC.

Spin Transfer Torque in Graphene

NASA Astrophysics Data System (ADS)

Lin, Chia-Ching; Chen, Zhihong

2014-03-01

Graphene is an idea channel material for spin transport due to its long spin diffusion length. To develop graphene based spin logic, it is important to demonstrate spin transfer torque in graphene. Here, we report the experimental measurement of spin transfer torque in graphene nonlocal spin valve devices. Assisted by a small external in-plane magnetic field, the magnetization reversal of the receiving magnet is induced by pure spin diffusion currents from the injector magnet. The magnetization switching is reversible between parallel and antiparallel configurations by controlling the polarity of the applied charged currents. Current induced heating and Oersted field from the nonlocal charge flow have also been excluded in this study. Next, we further enhance the spin angular momentum absorption at the interface of the receiving magnet and graphene channel by removing the tunneling barrier in the receiving magnet. The device with a tunneling barrier only at the injector magnet shows a comparable nonlocal spin valve signal but lower electrical noise. Moreover, in the same preset condition, the critical charge current density for spin torque in the single tunneling barrier device shows a substantial reduction if compared to the double tunneling barrier device.

Enhancement of the barrier performance in organic/inorganic multilayer thin-film structures by annealing of the parylene layer

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

Kim, Namsu, E-mail: nkim@keti.re.kr; Components and Materials Physics Research Center, #68 Yatop-dong, Korea Electronics Technology Institute, Bundang-gu, 463-816; Graham, Samuel

2014-10-15

Highlights: • High performance thin-film barrier structure for encapsulation was fabricated. • By annealing parylene in encapsulation structure, the barrier performance was improved. • The effective water vapor transmission rate is 7.2 ± 3.0 × 10{sup −6} g/m{sup 2}/day. - Abstract: A multilayered barrier structure was fabricated by chemical vapor deposition of parylene and subsequent plasma-enhanced chemical vapor deposition of SiO{sub x} or SiN{sub x}. The barrier performance against water vapor ingress was significantly improved by annealing the parylene layer before the deposition of either SiO{sub x} or SiN{sub x}. The mechanism of this enhancement was investigated using atomic forcemore » microscopy, Raman spectroscopy, and X-ray diffraction. The surface roughness of the parylene before the deposition of either SiO{sub x} or SiN{sub x} was found to correlate closely with the barrier performance of the multilayered structures. In addition, removing absorbed water vapor in the film by annealing results in a lower water vapor transmission rate in the transient region and a longer lag time. Annealing the parylene leads to a large decrease in the effective water vapor transmission rate, which reaches 7.2 ± 3.0 × 10{sup −6} g/m{sup 2}/day.« less

Active structural acoustic control of noise transmission through double panel systems

NASA Astrophysics Data System (ADS)

Carneal, James P.; Fuller, Chris R.

1995-04-01

A preliminary parametric study of active control of sound transmission through double panel systems has been experimentally performed. The technique used is the active structural acoustic control (ASAC) approach where control inputs, in the form of piezoelectric actuators, were applied to the structure while the radiated pressure field was minimized. Results indicate the application of control inputs to the radiating panel resulted in greater transmission loss due to its direct effect on the nature of the structural-acoustic coupling between the radiating panel and the receiving chamber. Increased control performance was seen in a double panel system consisting of a stiffer radiating panel with a lower modal density. As expected, more effective control of a radiating panel excited on-resonance is achieved over one excited off-resonance. In general, the results validate the ASAC approach for double panel systems and demonstrate that it is possible to take advantage of double panel behavior to enhance control performance, although it is clear that further research must be done to understand the physics involved.

Robustness analysis of elastoplastic structure subjected to double impulse

NASA Astrophysics Data System (ADS)

Kanno, Yoshihiro; Takewaki, Izuru

2016-11-01

The double impulse has extensively been used to evaluate the critical response of an elastoplastic structure against a pulse-type input, including near-fault earthquake ground motions. In this paper, we propose a robustness assessment method for elastoplastic single-degree-of-freedom structures subjected to the double impulse input. Uncertainties in the initial velocity of the input, as well as the natural frequency and the strength of the structure, are considered. As fundamental properties of the structural robustness, we show monotonicity of the robustness measure with respect to the natural frequency. In contrast, we show that robustness is not necessarily improved even if the structural strength is increased. Moreover, the robustness preference between two structures with different values of structural strength can possibly reverse when the performance requirement is changed.

The mismatch repair and meiotic recombination endonuclease Mlh1-Mlh3 is activated by polymer formation and can cleave DNA substrates in trans

PubMed Central

Manhart, Carol M.; Ni, Xiaodan; White, Martin A.; Ortega, Joaquin; Surtees, Jennifer A.

2017-01-01

Crossing over between homologs is initiated in meiotic prophase by the formation of DNA double-strand breaks that occur throughout the genome. In the major interference-responsive crossover pathway in baker’s yeast, these breaks are resected to form 3' single-strand tails that participate in a homology search, ultimately forming double Holliday junctions (dHJs) that primarily include both homologs. These dHJs are resolved by endonuclease activity to form exclusively crossovers, which are critical for proper homolog segregation in Meiosis I. Recent genetic, biochemical, and molecular studies in yeast are consistent with the hypothesis of Mlh1-Mlh3 DNA mismatch repair complex acting as the major endonuclease activity that resolves dHJs into crossovers. However, the mechanism by which the Mlh1-Mlh3 endonuclease is activated is unknown. Here, we provide evidence that Mlh1-Mlh3 does not behave like a structure-specific endonuclease but forms polymers required to generate nicks in DNA. This conclusion is supported by DNA binding studies performed with different-sized substrates that contain or lack polymerization barriers and endonuclease assays performed with varying ratios of endonuclease-deficient and endonuclease-proficient Mlh1-Mlh3. In addition, Mlh1-Mlh3 can generate religatable double-strand breaks and form an active nucleoprotein complex that can nick DNA substrates in trans. Together these observations argue that Mlh1-Mlh3 may not act like a canonical, RuvC-like Holliday junction resolvase and support a novel model in which Mlh1-Mlh3 is loaded onto DNA to form an activated polymer that cleaves DNA. PMID:28453523

The mismatch repair and meiotic recombination endonuclease Mlh1-Mlh3 is activated by polymer formation and can cleave DNA substrates in trans.

PubMed

Manhart, Carol M; Ni, Xiaodan; White, Martin A; Ortega, Joaquin; Surtees, Jennifer A; Alani, Eric

2017-04-01

Crossing over between homologs is initiated in meiotic prophase by the formation of DNA double-strand breaks that occur throughout the genome. In the major interference-responsive crossover pathway in baker's yeast, these breaks are resected to form 3' single-strand tails that participate in a homology search, ultimately forming double Holliday junctions (dHJs) that primarily include both homologs. These dHJs are resolved by endonuclease activity to form exclusively crossovers, which are critical for proper homolog segregation in Meiosis I. Recent genetic, biochemical, and molecular studies in yeast are consistent with the hypothesis of Mlh1-Mlh3 DNA mismatch repair complex acting as the major endonuclease activity that resolves dHJs into crossovers. However, the mechanism by which the Mlh1-Mlh3 endonuclease is activated is unknown. Here, we provide evidence that Mlh1-Mlh3 does not behave like a structure-specific endonuclease but forms polymers required to generate nicks in DNA. This conclusion is supported by DNA binding studies performed with different-sized substrates that contain or lack polymerization barriers and endonuclease assays performed with varying ratios of endonuclease-deficient and endonuclease-proficient Mlh1-Mlh3. In addition, Mlh1-Mlh3 can generate religatable double-strand breaks and form an active nucleoprotein complex that can nick DNA substrates in trans. Together these observations argue that Mlh1-Mlh3 may not act like a canonical, RuvC-like Holliday junction resolvase and support a novel model in which Mlh1-Mlh3 is loaded onto DNA to form an activated polymer that cleaves DNA.

Single Molecule Study of Force-Induced Rotation of Carbon-Carbon Double Bonds in Polymers.

PubMed

Huang, Wenmao; Zhu, Zhenshu; Wen, Jing; Wang, Xin; Qin, Meng; Cao, Yi; Ma, Haibo; Wang, Wei

2017-01-24

Carbon-carbon double bonds (C═C) are ubiquitous in natural and synthetic polymers. In bulk studies, due to limited ways to control applied force, they are thought to be mechanically inert and not to contribute to the extensibility of polymers. Here, we report a single molecule force spectroscopy study on a polymer containing C═C bonds using atomic force microscope. Surprisingly, we found that it is possible to directly observe the cis-to-trans isomerization of C═C bonds at the time scale of ∼1 ms at room temperature by applying a tensile force ∼1.7 nN. The reaction proceeds through a diradical intermediate state, as confirmed by both a free radical quenching experiment and quantum chemical modeling. The force-free activation length to convert the cis C═C bonds to the transition state is ∼0.5 Å, indicating that the reaction rate is accelerated by ∼10 9 times at the transition force. On the basis of the density functional theory optimized structure, we propose that because the pulling direction is not parallel to C═C double bonds in the polymer, stretching the polymer not only provides tension to lower the transition barrier but also provides torsion to facilitate the rotation of cis C═C bonds. This explains the apparently low transition force for such thermally "forbidden" reactions and offers an additional explanation of the "lever-arm effect" of polymer backbones on the activation force for many mechanophores. This work demonstrates the importance of precisely controlling the force direction at the nanoscale to the force-activated reactions and may have many implications on the design of stress-responsive materials.

Unique and shared functions of nuclear lamina LEM domain proteins in Drosophila.

PubMed

Barton, Lacy J; Wilmington, Shameika R; Martin, Melinda J; Skopec, Hannah M; Lovander, Kaylee E; Pinto, Belinda S; Geyer, Pamela K

2014-06-01

The nuclear lamina is an extensive protein network that contributes to nuclear structure and function. LEM domain (LAP2, emerin, MAN1 domain, LEM-D) proteins are components of the nuclear lamina, identified by a shared ∼45-amino-acid motif that binds Barrier-to-autointegration factor (BAF), a chromatin-interacting protein. Drosophila melanogaster has three nuclear lamina LEM-D proteins, named Otefin (Ote), Bocksbeutel (Bocks), and dMAN1. Although these LEM-D proteins are globally expressed, loss of either Ote or dMAN1 causes tissue-specific defects in adult flies that differ from each other. The reason for such distinct tissue-restricted defects is unknown. Here, we generated null alleles of bocks, finding that loss of Bocks causes no overt adult phenotypes. Next, we defined phenotypes associated with lem-d double mutants. Although the absence of individual LEM-D proteins does not affect viability, loss of any two proteins causes lethality. Mutant phenotypes displayed by lem-d double mutants differ from baf mutants, suggesting that BAF function is retained in animals with a single nuclear lamina LEM-D protein. Interestingly, lem-d double mutants displayed distinct developmental and cellular mutant phenotypes, suggesting that Drosophila LEM-D proteins have developmental functions that are differentially shared with other LEM-D family members. This conclusion is supported by studies showing that ectopically produced LEM-D proteins have distinct capacities to rescue the tissue-specific phenotypes found in single lem-d mutants. Our findings predict that cell-specific mutant phenotypes caused by loss of LEM-D proteins reflect both the constellation of LEM-D proteins within the nuclear lamina and the capacity of functional compensation of the remaining LEM-D proteins. Copyright © 2014 by the Genetics Society of America.

Unique and Shared Functions of Nuclear Lamina LEM Domain Proteins in Drosophila

PubMed Central

Barton, Lacy J.; Wilmington, Shameika R.; Martin, Melinda J.; Skopec, Hannah M.; Lovander, Kaylee E.; Pinto, Belinda S.; Geyer, Pamela K.

2014-01-01

The nuclear lamina is an extensive protein network that contributes to nuclear structure and function. LEM domain (LAP2, emerin, MAN1 domain, LEM-D) proteins are components of the nuclear lamina, identified by a shared ∼45-amino-acid motif that binds Barrier-to-autointegration factor (BAF), a chromatin-interacting protein. Drosophila melanogaster has three nuclear lamina LEM-D proteins, named Otefin (Ote), Bocksbeutel (Bocks), and dMAN1. Although these LEM-D proteins are globally expressed, loss of either Ote or dMAN1 causes tissue-specific defects in adult flies that differ from each other. The reason for such distinct tissue-restricted defects is unknown. Here, we generated null alleles of bocks, finding that loss of Bocks causes no overt adult phenotypes. Next, we defined phenotypes associated with lem-d double mutants. Although the absence of individual LEM-D proteins does not affect viability, loss of any two proteins causes lethality. Mutant phenotypes displayed by lem-d double mutants differ from baf mutants, suggesting that BAF function is retained in animals with a single nuclear lamina LEM-D protein. Interestingly, lem-d double mutants displayed distinct developmental and cellular mutant phenotypes, suggesting that Drosophila LEM-D proteins have developmental functions that are differentially shared with other LEM-D family members. This conclusion is supported by studies showing that ectopically produced LEM-D proteins have distinct capacities to rescue the tissue-specific phenotypes found in single lem-d mutants. Our findings predict that cell-specific mutant phenotypes caused by loss of LEM-D proteins reflect both the constellation of LEM-D proteins within the nuclear lamina and the capacity of functional compensation of the remaining LEM-D proteins. PMID:24700158

Cryptic genetic diversity, population structure, and gene flow in the Mojave rattlesnake (Crotalus scutulatus).

PubMed

Schield, Drew R; Adams, Richard H; Card, Daren C; Corbin, Andrew B; Jezkova, Tereza; Hales, Nicole R; Meik, Jesse M; Perry, Blair W; Spencer, Carol L; Smith, Lydia L; García, Gustavo Campillo; Bouzid, Nassima M; Strickland, Jason L; Parkinson, Christopher L; Borja, Miguel; Castañeda-Gaytán, Gamaliel; Bryson, Robert W; Flores-Villela, Oscar A; Mackessy, Stephen P; Castoe, Todd A

2018-06-15

The Mojave rattlesnake (Crotalus scutulatus) inhabits deserts and arid grasslands of the western United States and Mexico. Despite considerable interest in its highly toxic venom and the recognition of two subspecies, no molecular studies have characterized range-wide genetic diversity and population structure or tested species limits within C. scutulatus. We used mitochondrial DNA and thousands of nuclear loci from double-digest restriction site associated DNA sequencing to infer population genetic structure throughout the range of C. scutulatus, and to evaluate divergence times and gene flow between populations. We find strong support for several divergent mitochondrial and nuclear clades of C. scutulatus, including splits coincident with two major phylogeographic barriers: the Continental Divide and the elevational increase associated with the Central Mexican Plateau. We apply Bayesian clustering, phylogenetic inference, and coalescent-based species delimitation to our nuclear genetic data to test hypotheses of population structure. We also performed demographic analyses to test hypotheses relating to population divergence and gene flow. Collectively, our results support the existence of four distinct lineages within C. scutulatus, and genetically defined populations do not correspond with currently recognized subspecies ranges. Finally, we use approximate Bayesian computation to test hypotheses of divergence among multiple rattlesnake species groups distributed across the Continental Divide, and find evidence for co-divergence at this boundary during the mid-Pleistocene. Copyright © 2018 Elsevier Inc. All rights reserved.

Global interrupt and barrier networks

DOEpatents

Blumrich, Matthias A.; Chen, Dong; Coteus, Paul W.; Gara, Alan G.; Giampapa, Mark E; Heidelberger, Philip; Kopcsay, Gerard V.; Steinmacher-Burow, Burkhard D.; Takken, Todd E.

2008-10-28

A system and method for generating global asynchronous signals in a computing structure. Particularly, a global interrupt and barrier network is implemented that implements logic for generating global interrupt and barrier signals for controlling global asynchronous operations performed by processing elements at selected processing nodes of a computing structure in accordance with a processing algorithm; and includes the physical interconnecting of the processing nodes for communicating the global interrupt and barrier signals to the elements via low-latency paths. The global asynchronous signals respectively initiate interrupt and barrier operations at the processing nodes at times selected for optimizing performance of the processing algorithms. In one embodiment, the global interrupt and barrier network is implemented in a scalable, massively parallel supercomputing device structure comprising a plurality of processing nodes interconnected by multiple independent networks, with each node including one or more processing elements for performing computation or communication activity as required when performing parallel algorithm operations. One multiple independent network includes a global tree network for enabling high-speed global tree communications among global tree network nodes or sub-trees thereof. The global interrupt and barrier network may operate in parallel with the global tree network for providing global asynchronous sideband signals.

The Social Validation of Institutional Indicators to Promote System-Wide Web Accessibility in Postsecondary Institutions

ERIC Educational Resources Information Center

Mariger, Heather Ann

2011-01-01

The Internet is an integral part of higher education today. Students, faculty, and staff must have access to the institutional web for essential activities. For persons with disabilities, the web is a double-edged sword. While an accessibly designed website can mitigate or remove barriers, an inaccessible one can make access impossible. If…

Overcoming the Language Barrier. Third European Congress on Information Systems and Networks, Vol. 1.

ERIC Educational Resources Information Center

Commission des Communautes Europeennes (Luxembourg).

The papers presented here have a double objective: to give those responsible for the Action plan for the improvement of information transfer between European languages a good view of existing and developing systems and to make future users of EURONET acquainted with methods and tools that will soon be available. The papers are arranged under six…

Technology for Kids' Desktops: How One School Brought Its Computers Out of the Lab and into Classrooms.

ERIC Educational Resources Information Center

Bozzone, Meg A.

1997-01-01

Purchasing custom-made desks with durable glass tops to house computers and double as student work space solved the problem of how to squeeze in additional classroom computers at Johnson Park Elementary School in Princeton, New Jersey. This article describes a K-5 grade school's efforts to overcome barriers to integrating technology. (PEN)

One-dimensional models of quasi-neutral parallel electric fields

NASA Technical Reports Server (NTRS)

Stern, D. P.

1981-01-01

Parallel electric fields can exist in the magnetic mirror geometry of auroral field lines if they conform to the quasineutral equilibrium solutions. Results on quasi-neutral equilibria and on double layer discontinuities were reviewed and the effects on such equilibria due to non-unique solutions, potential barriers and field aligned current flows using as inputs monoenergetic isotropic distribution functions were examined.

High temperature EXAFS experiments in molten actinide fluorides: The challenge of a triple containment cell for radioactive and aggressive liquids

NASA Astrophysics Data System (ADS)

Bessada, Catherine; Zanghi, Didier; Pauvert, Olivier; Maksoud, Louis; Gil-Martin, Ana; Sarou-Kanian, Vincent; Melin, Philippe; Brassamin, Séverine; Nezu, Atsushi; Matsuura, Haruaki

2017-10-01

An airtight double barrier cell with simple geometry has been developed for X-rays absorption measurements at high temperature in solid and molten actinide fluorides. The aim was both to improve the air tightness, to avoid any possible leakage and to maintain the high quality of the signal. The dimensions of the heating chamber were also constrained and minimized to be compatible with the limited space available usually on synchrotron beam lines and with a geometry suitable for absorption/diffraction measurements at high temperature. The design of the double barrier cell was also driven by the safety requirements in every experiment involving radioactive materials. The furnace itself was designed to ensure easy operating modes and disassembly, the aim being to consider the furnace as the ultimate containment. The cell has been tested with different molten fluorides up to more than 1000 °C, starting from non-radioactive LiF-ZrF4 mixtures in order to prove that the cell is absolutely airtight and that not any contamination of the environment occurs. Then it has been successfully applied to thorium fluoride- and uranium fluoride-alkali fluorides mixtures.

Native fishes in the Truckee River: Are in-stream structures and patterns of population genetic structure related?

PubMed

Peacock, Mary M; Gustin, Mae S; Kirchoff, Veronica S; Robinson, Morgan L; Hekkala, Evon; Pizzarro-Barraza, Claudia; Loux, Tim

2016-09-01

In-stream structures are recognized as significant impediments to movement for freshwater fishes. Apex predators such as salmonids have been the focus of much research on the impacts of such barriers to population dynamics and population viability however much less research has focused on native fishes, where in-stream structures may have a greater impact on long term population viability of these smaller, less mobile species. Patterns of genetic structure on a riverscape can provide information on which structures represent real barriers to movement for fish species and under what specific flow conditions. Here we characterize the impact of 41 dam and diversion structures on movement dynamics under varying flow conditions for a suite of six native fishes found in the Truckee River of California and Nevada. Microsatellite loci were used to estimate total allelic diversity, effective population size and assess genetic population structure. Although there is spatial overlap among species within the river there are clear differences in species distributions within the watershed. Observed population genetic structure was associated with in-stream structures, but only under low flow conditions. High total discharge in 2006 allowed fish to move over potential barriers resulting in no observed population genetic structure for any species in 2007. The efficacy of in-stream structures to impede movement and isolate fish emerged only after multiple years of low flow conditions. Our results suggest that restricted movement of fish species, as a result of in-stream barriers, can be mitigated by flow management. However, as flow dynamics are likely to be altered under global climate change, fragmentation due to barriers could isolate stream fishes into small subpopulations susceptible to both demographic losses and losses of genetic variation. Copyright © 2016 Elsevier B.V. All rights reserved.

Optical properties of an elliptic quantum ring: Eccentricity and electric field effects

NASA Astrophysics Data System (ADS)

Bejan, Doina; Stan, Cristina; Niculescu, Ecaterina C.

2018-04-01

We have theoretically studied the electronic and optical properties of a GaAs/AlGaAs elliptic quantum ring under in-plane electric field. The effects of an eccentric internal barrier -placed along the electric field direction, chosen as x-axis- and incident light polarization are particularly taken into account. The one-electron energy spectrum and wave functions are found using the adiabatic approximation and the finite element method within the effective-mass model. We show that it is possible to repair the structural distortion by applying an appropriate in-plane electric field, and the compensation is almost complete for all electronic states under study. For both concentric and eccentric quantum ring the intraband optical properties are very sensitive to the electric field and probe laser polarization. As expected, in the systems with eccentricity distortions the energy spectrum, as well as the optical response, strongly depends on the direction of the externally applied electric field, an effect that can be used as a signature of ring eccentricity. We demonstrated the possibility of generating second harmonic response at double resonance condition for incident light polarized along the x-axis if the electric field or/and eccentric barrier break the inversion symmetry. Also, strong third harmonic signal can be generated at triple resonance condition for a specific interval of electric field values when using y-polarized light.

Survey of health care worker knowledge about childhood tuberculosis in high-burden centers in Botswana.

PubMed

Arscott-Mills, T; Masole, L; Ncube, R; Steenhoff, A P

2017-05-01

Quantifying health care workers' (HCWs') knowledge about tuberculosis (TB) informs educational interventions. We assessed HCWs' knowledge about childhood TB in Botswana. Semi-structured interviews were conducted with HCWs at 46 sites around Botswana using a piloted instrument. Transcripts were double-coded using a coding schema. Discrepancies were resolved by consensus and a systematic thematic analysis was performed. The sites (42 clinics and 4 hospitals) were urban (n = 9, 20%), semi-urban (n = 10, 22%) and rural (n = 27, 58%). HCWs included nurses (n = 42, 89%) and nurse assistants (n = 4, 11%). Sixteen (56%) HCWs were the TB focal persons for their site. Themes did not vary by type of site, HCW or TB focal person. Although the level of knowledge about secondary prevention using isoniazid prophylaxis therapy was fair, implementation was poor and contact tracing was not being performed. Barriers to TB diagnosis included poor knowledge about TB in the community, minimal diagnostics at site of care and not receiving test results. However, most HCWs reported that treatment initiation and the calculation of appropriate dosages were easy once the diagnosis had been made. In Botswana, HCWs' levels of knowledge about childhood TB varied greatly. The areas of TB diagnosis, screening and prophylaxis in children need additional attention in TB training courses; however, increased knowledge alone would not overcome all the barriers identified by the HCWs.

Transition between B-DNA and Z-DNA: free energy landscape for the B-Z junction propagation.

PubMed

Lee, Juyong; Kim, Yang-Gyun; Kim, Kyeong Kyu; Seok, Chaok

2010-08-05

Canonical, right-handed B-DNA can be transformed into noncanonical, left-handed Z-DNA in vitro at high salt concentrations or in vivo under physiological conditions. The molecular mechanism of this drastic conformational transition is still unknown despite numerous studies. Inspired by the crystal structure of a B-Z junction and the previous zipper model, we show here, with the aid of molecular dynamics simulations, that a stepwise propagation of a B-Z junction is a highly probable pathway for the B-Z transition. In this paper, the movement of a B-Z junction by a two-base-pair step in a double-strand nonamer, [d(GpCpGpCpGpCpGpCpG)](2), is considered. Targeted molecular dynamics simulations and umbrella sampling for this transition resulted in a transition pathway with a free energy barrier of 13 kcal/mol. This barrier is much more favorable than those obtained from previous atomistic simulations that lead to concerted transitions of the whole strands. The free energy difference between B-DNA and Z-DNA evaluated from our simulation is 0.9 kcal/mol per dinucleotide unit, which is consistent with previous experiments. The current computation thus strongly supports the proposal that the B-Z transition involves a relatively fast extension of B-DNA or Z-DNA by sequential propagation of B-Z junctions once nucleation of junctions is established.

Characterization of the X~ 2A1, A~ 2B1, and X~ 2Π electronic states of the Ga2H molecule and the X~ 2A' and A~ 2A'' isomerization transition states connecting the three minima

NASA Astrophysics Data System (ADS)

Wang, Hongyan; Wang, Suyun; Yan, Ge; Yamaguchi, Yukio; Schaefer, Henry F.

2006-01-01

A wide range of highly correlated ab initio methods has been used to predict the geometrical parameters of the linear (X˜Π2) and H-bridged (X˜A12 and ÃB12) Ga2H isomers and two isomerization transition states (X˜A'2 and ÃA″2) connecting the three minima. Dipole moments and vibrational frequencies are also obtained. The global minimum X˜A12 ground state of the H-bridged GaHGa isomer is predicted to lie only 1.6 [1.9 with the zero-point vibrational energy (ZPVE) corrections] kcalmol-1 below the ÃB12 state. The X˜A12 state lies 5.4kcalmol-1 below the X˜Π2 ground state of the linear GaGaH isomer at the coupled-cluster with single, double, and perturbative triple excitations [CCSD(T)] level of theory with the augmented correlation-consistent polarized valence quadruple-zeta (aug-cc-pVQZ) basis set. The full triples coupled-cluster method is found to alter these CCSD(T) predictions by as much as 0.3kcalmol-1. The forward isomerization barriers from the linear ground state to the X˜A'2 and ÃA″2 transition states are determined to be 3.3 and 5.3kcalmol-1, respectively. The reverse isomerization barrier between the X˜A12 GaHGa structure and the X˜Π2 GaGaH structure is predicted to be 8.6 (8.2 with the ZPVE corrections) kcalmol-1 at the aug-cc-pVQZ CCSD(T) level of theory.

Alternating InGaN barriers with GaN barriers for enhancing optical performance in InGaN light-emitting diodes

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

Yang, Yujue; Zeng, Yiping, E-mail: ypzeng@semi.ac.cn

2015-01-21

InGaN-based light-emitting diodes (LEDs) with some specific designs on the quantum barrier layers by alternating InGaN barriers with GaN barriers are proposed and studied numerically. In the proposed structure, simulation results show that the carriers are widely dispersed in the multi-quantum well active region, and the radiative recombination rate is efficiently improved and the electron leakage is suppressed accordingly, due to the appropriate band engineering. The internal quantum efficiency and light-output power are thus markedly enhanced and the efficiency droop is smaller, compared to the original structures with GaN barriers or InGaN barriers. Moreover, the gradually decrease of indium compositionmore » in the alternating quantum barriers can further promote the LED performance because of the more uniform carrier distribution, which provides us a simple but highly effective approach for high-performance LED applications.« less

Infrared laser driven double proton transfer. An optimal control theory study

NASA Astrophysics Data System (ADS)

Abdel-Latif, Mahmoud K.; Kühn, Oliver

2010-02-01

Laser control of ultrafast double proton transfer is investigated for a two-dimensional model system describing stepwise and concerted transfer pathways. The pulse design has been done by employing optimal control theory in combination with the multiconfiguration time-dependent Hartree wave packet propagation. The obtained laser fields correspond to multiple pump-dump pulse sequences. Special emphasis is paid to the relative importance of stepwise and concerted transfer pathways for the driven wave packet and its dependence on the parameters of the model Hamiltonian as well as on the propagation time. While stepwise transfer is dominating in all cases considered, for high barrier systems concerted transfer proceeding via tunneling can make a contribution.

Flux-dependent anti-crossing of resonances in parallel non-coupled double quantum dots

NASA Astrophysics Data System (ADS)

Joe, Yong S.; Hedin, Eric R.; Kim, Jiseok

2008-08-01

We present novel resonant phenomena through parallel non-coupled double quantum dots (QDs) embedded in each arm of an Aharonov-Bohm (AB) ring with magnetic flux passing through its center. The electron transmission through this AB ring with each QD formed by two short-range potential barriers is calculated using a scattering matrix at each junction and a transfer matrix in each arm. We show that as the magnetic flux modulates, a distortion of the grid-like square transmission occurs and an anti-crossing of the resonances appears. Hence, the modulation of magnetic flux in this system can have an equivalent effect to the control of inter-dot coupling between the two QDs.

Equal intensity double plasmon resonance of bimetallic quasi-nanocomposites based on sandwich geometry

NASA Astrophysics Data System (ADS)

Chakravadhanula, V. S. K.; Elbahri, M.; Schürmann, U.; Takele, H.; Greve, H.; Zaporojtchenko, V.; Faupel, F.

2008-06-01

We report a strategy to achieve a material showing equal intensity double plasmon resonance (EIDPR) based on sandwich geometry. We studied the interaction between localized plasmon resonances associated with different metal clusters (Au/Ag) on Teflon AF (TAF) in sandwich geometry. Engineering the EIDPR was done by tailoring the amount of Au/Ag and changing the TAF thickness. The samples were investigated by transmission electron microscopy (TEM) and UV-visible spectroscopy. Interestingly, and in agreement with the dipole-surface interaction, the critical barrier thickness for an optimum EIDPR was observed at 3.3 nm. The results clearly show a plasmon sequence effect and visualize the role of plasmon decay.

Advanced light-scattering materials: Double-textured ZnO:B films grown by LP-MOCVD

NASA Astrophysics Data System (ADS)

Addonizio, M. L.; Spadoni, A.; Antonaia, A.

2013-12-01

Double-textured ZnO:B layers with enhanced optical scattering in both short and long wavelength regions have been successfully fabricated using MOCVD technique through a three step process. Growth of double-textured structures has been induced by wet etching on polycrystalline ZnO surface. Our double-layer structure consists of a first ZnO:B layer wet etched and subsequently used as substrate for a second ZnO:B layer deposition. Polycrystalline ZnO:B layers were etched by utilizing diluted solutions of fluoridic acid (HF), chloridric acid (HCl) and phosphoric acid (H3PO4) and their effect on surface morphology modification was systematically investigated. The morphology of the second deposited ZnO layer strongly depended on the surface properties of the etched ZnO first layer. Growth of cauliflower-like texture was induced by protrusions presence on the HCl etched surface. Optimized double-layer structure shows a cauliflower-like double texture with higher RMS roughness and increased spectral haze values in both short and long wavelength regions, compared to conventional pyramidal-like single texture. Furthermore, this highly scattering structure preserves excellent optical and electrical properties.

Photoluminescence and structural properties of unintentional single and double InGaSb/GaSb quantum wells grown by MOVPE

NASA Astrophysics Data System (ADS)

Ahia, Chinedu Christian; Tile, Ngcali; Botha, Johannes R.; Olivier, E. J.

2018-04-01

The structural and photoluminescence (PL) characterization of InGaSb quantum well (QW) structures grown on GaSb substrate (100) using atmospheric pressure Metalorganic Vapor Phase Epitaxy (MOVPE) is presented. Both structures (single and double-InGaSb QWs) were inadvertently formed during an attempt to grow capped InSb/GaSb quantum dots (QDs). In this work, 10 K PL peak energies at 735 meV and 740 meV are suggested to be emissions from the single and double QWs, respectively. These lines exhibit red shifts, accompanied by a reduction in their full-widths at half-maximum (FWHM) as the excitation power decreases. The presence of a GaSb spacer in the double QW was found to increase the strength of the PL emission, which consequently gives rise to a reduced blue-shift and broadening of the PL emission line observed for the double QW with an increase in laser power, while the low thermal activation energy for the quenching of the PL from the double QW is attributed to the existence of threading dislocations, as seen in the bright field TEM image for this sample.

Field-incidence noise transmission loss of general aviation aircraft double wall configurations

NASA Astrophysics Data System (ADS)

Grosveld, F. W.

1984-01-01

Theoretical formulations have been developed to describe the transmission of reverberant sound through an infinite, semi-infinite and a finite double panel structure. The model incorporates the fundamental resonance frequencies of each of the panels, the mass-air-mass resonances of the structure, the standing wave resonances in the cavity between the panels and finally the coincidence resonance regions, where the exciting sound pressure wave and flexural waves of each of the panels coincide. It is shown that phase cancellation effects of pressure waves reflected from the cavity boundaries back into the cavity allows the transmission loss of a finite double panel structure to be approximated by a finite double panel mounted in an infinite baffle having no cavity boundaries. Comparison of the theory with high quality transmission loss data yields good agreement in the mass-controlled frequency region. It is shown that the application of acoustic blankets to the double panel structure does not eliminate the mass-air-mass resonances if those occur at low frequencies. It is concluded that this frequency region of low noise transmission loss is a potential interior noise problem area for propeller driven aircraft having a double panel fuselage construction.

Centromeric Barrier Disruption Leads to Mitotic Defects in Schizosaccharomyces pombe

PubMed Central

Gaither, Terilyn L.; Merrett, Stephanie L.; Pun, Matthew J.; Scott, Kristin C.

2014-01-01

Centromeres are cis-acting chromosomal domains that direct kinetochore formation, enabling faithful chromosome segregation and preserving genome stability. The centromeres of most eukaryotic organisms are structurally complex, composed of nonoverlapping, structurally and functionally distinct chromatin subdomains, including the specialized core chromatin that underlies the kinetochore and pericentromeric heterochromatin. The genomic and epigenetic features that specify and preserve the adjacent chromatin subdomains critical to centromere identity are currently unknown. Here we demonstrate that chromatin barriers regulate this process in Schizosaccharomyces pombe. Reduced fitness and mitotic chromosome segregation defects occur in strains that carry exogenous DNA inserted at centromere 1 chromatin barriers. Abnormal phenotypes are accompanied by changes in the structural integrity of both the centromeric core chromatin domain, containing the conserved CENP-ACnp1 protein, and the flanking pericentric heterochromatin domain. Barrier mutant cells can revert to wild-type growth and centromere structure at a high frequency after the spontaneous excision of integrated exogenous DNA. Our results reveal a previously undemonstrated role for chromatin barriers in chromosome segregation and in the prevention of genome instability. PMID:24531725

Smart near-infrared fluorescence probes with donor-acceptor structure for in vivo detection of β-amyloid deposits.

PubMed

Cui, Mengchao; Ono, Masahiro; Watanabe, Hiroyuki; Kimura, Hiroyuki; Liu, Boli; Saji, Hideo

2014-03-05

The deposition of β-amyloid (Aβ) plaques in the parenchymal and cortical brain is accepted as the main pathological hallmark of Alzheimer's disease (AD); however, early detection of AD still presents a challenge. With the assistance of molecular imaging techniques, imaging agents specifically targeting Aβ plaques in the brain may lead to the early diagnosis of AD. Herein, we report the design, synthesis, and evaluation of a series of smart near-infrared fluorescence (NIRF) imaging probes with donor-acceptor architecture bridged by a conjugated π-electron chain for Aβ plaques. The chemical structure of these NIRF probes is completely different from Congo Red and Thioflavin-T. Probes with a longer conjugated π system (carbon-carbon double bond) displayed maximum emission in PBS (>650 nm), which falls in the best range for NIRF probes. These probes were proved to have affinity to Aβ plaques in fluorescent staining of brain sections from an AD patient and double transgenic mice, as well as in an in vitro binding assay using Aβ(1-42) aggregates. One probe with high affinity (K(i) = 37 nM, K(d) = 27 nM) was selected for in vivo imaging. It can penetrate the blood-brain barrier of nude mice efficiently and is quickly washed out of the normal brain. Moreover, after intravenous injection of this probe, 22-month-old APPswe/PSEN1 mice exhibited a higher relative signal than control mice over the same period of time, and ex vivo fluorescent observations confirmed the existence of Aβ plaques. In summary, this probe meets most of the requirements for a NIRF contrast agent for the detection of Aβ plaques both in vitro and in vivo.

Complex Dynamic Development of Poliovirus Membranous Replication Complexes

PubMed Central

Nair, Vinod; Hansen, Bryan T.; Hoyt, Forrest H.; Fischer, Elizabeth R.; Ehrenfeld, Ellie

2012-01-01

Replication of all positive-strand RNA viruses is intimately associated with membranes. Here we utilize electron tomography and other methods to investigate the remodeling of membranes in poliovirus-infected cells. We found that the viral replication structures previously described as “vesicles” are in fact convoluted, branching chambers with complex and dynamic morphology. They are likely to originate from cis-Golgi membranes and are represented during the early stages of infection by single-walled connecting and branching tubular compartments. These early viral organelles gradually transform into double-membrane structures by extension of membranous walls and/or collapsing of the luminal cavity of the single-membrane structures. As the double-membrane regions develop, they enclose cytoplasmic material. At this stage, a continuous membranous structure may have double- and single-walled membrane morphology at adjacent cross-sections. In the late stages of the replication cycle, the structures are represented mostly by double-membrane vesicles. Viral replication proteins, double-stranded RNA species, and actively replicating RNA are associated with both double- and single-membrane structures. However, the exponential phase of viral RNA synthesis occurs when single-membrane formations are predominant in the cell. It has been shown previously that replication complexes of some other positive-strand RNA viruses form on membrane invaginations, which result from negative membrane curvature. Our data show that the remodeling of cellular membranes in poliovirus-infected cells produces structures with positive curvature of membranes. Thus, it is likely that there is a fundamental divergence in the requirements for the supporting cellular membrane-shaping machinery among different groups of positive-strand RNA viruses. PMID:22072780

Numerical Comparison of Active Acoustic and Structural Noise Control in a Stiffened Double Wall Cylinder

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.

1996-01-01

The active acoustic and structural noise control characteristics of a double wall cylinder with and without ring stiffeners were numerically evaluated. An exterior monopole was assumed to acoustically excite the outside of the double wall cylinder at an acoustic cavity resonance frequency. Structural modal vibration properties of the inner and outer shells were analyzed by post-processing the results from a finite element analysis. A boundary element approach was used to calculate the acoustic cavity response and the coupled structural-acoustic interaction. In the frequency region of interest, below 500 Hz, all structural resonant modes were found to be acoustically slow and the nonresonant modal response to be dominant. Active sound transmission control was achieved by control forces applied to the inner or outer shell, or acoustic control monopoles placed just outside the inner or outer shell. A least mean square technique was used to minimize the interior sound pressures at the nodes of a data recovery mesh. Results showed that single acoustic control monopoles placed just outside the inner or outer shells resulted in better sound transmission control than six distributed point forces applied to either one of the shells. Adding stiffeners to the double wall structure constrained the modal vibrations of the shells, making the double wall stiffer with associated higher modal frequencies. Active noise control obtained for the stiffened double wall configurations was less than for the unstiffened cylinder. In all cases, the acoustic control monopoles controlled the sound transmission into the interior better than the structural control forces.

Effect of SiN x diffusion barrier thickness on the structural properties and photocatalytic activity of TiO2 films obtained by sol-gel dip coating and reactive magnetron sputtering.

PubMed

Ghazzal, Mohamed Nawfal; Aubry, Eric; Chaoui, Nouari; Robert, Didier

2015-01-01

We investigate the effect of the thickness of the silicon nitride (SiN x ) diffusion barrier on the structural and photocatalytic efficiency of TiO2 films obtained with different processes. We show that the structural and photocatalytic efficiency of TiO2 films produced using soft chemistry (sol-gel) and physical methods (reactive sputtering) are affected differentially by the intercalating SiN x diffusion barrier. Increasing the thickness of the SiN x diffusion barrier induced a gradual decrease of the crystallite size of TiO2 films obtained by the sol-gel process. However, TiO2 obtained using the reactive sputtering method showed no dependence on the thickness of the SiN x barrier diffusion. The SiN x barrier diffusion showed a beneficial effect on the photocatalytic efficiency of TiO2 films regardless of the synthesis method used. The proposed mechanism leading to the improvement in the photocatalytic efficiency of the TiO2 films obtained by each process was discussed.

The phosphorylation site in double helical amylopectin as investigated by a combined approach using chemical synthesis, crystallography and molecular modeling.

PubMed

Engelsen, Søren Balling; Madsen, Anders Østergaard; Blennow, Andreas; Motawia, Mohammed Saddik; Møller, Birger Lindberg; Larsen, Sine

2003-04-24

The only known in planta substitution of starch is phosphorylation. Whereas the function of starch phosphorylation is poorly understood, phosphorylated starch possesses improved functionality in vitro. Molecular models of native crystalline starch are currently being developed and the starch phosphorylating enzyme has recently been discovered. Accordingly, it is desirable to obtain a more exact description of the molecular structures of phosphorylated starch. We have determined the crystal structure of methyl alpha-D-glucopyranoside 6-O-phosphate as its potassium salt which is thought to be the starch phosphate counterion in vivo. From this structure and previously known glucophosphate structures we describe the possible 6-O-phosphate geometries and through modeling extrapolate the results to the double helical structure of the crystalline part of amylopectin. The geometries of the existing crystal structures of 6-O-phosphate groups were found to belong to two main adiabatic valleys. One of these conformations could be fitted into the double helical amylopectin part without perturbing the double helical amylopectin structure and without creating steric problems for the hexagonal chain-chain packing.

Influence of Internal Electric Field on the Recombination Dynamics of Localized Excitons in an InGaN Double-Quantum-Well Laser Diode Wafer Operated at 450 nm

NASA Astrophysics Data System (ADS)

Onuma, Takeyoshi; Chichibu, Shigefusa F.; Aoyama, Toyomi; Nakajima, Kiyomi; Ahmet, Parhat; Azuhata, Takashi; Chikyow, Toyohiro; Sota, Takayuki; Nagahama, Shin-ichi; Mukai, Takashi

2003-12-01

Optical and structural properties of an InGaN double-quantum-well (DQW) laser diode (LD) wafer that lased at 450 nm were investigated to discuss an enormous impact of a polarization-induced electric field on the recombination dynamics in InGaN quantum structures. The quantum-well (QW) structure was shown to have the well thickness as thin as approximately 1 nm and InN molar fraction x of approximately 14%. The gross effective electric field in the QW (FQW) was estimated to be 490 kV/cm from the Franz-Keldysh oscillation (FKO) period in the electroreflectance (ER) spectrum, implying that an internal piezoelectric field (Fpiz) of approximately 1.4 MV/cm was cancelled by the pn junction built-in field (Fbi) and Coulomb screening due to carriers in the DQW. The magnitude of FQW can be further weakened by applying reverse bias (VR) on the junction; the decrease in the photoluminescence (PL) lifetime at low temperature measured under VR was explained to be due to a recovery of electron-hole wavefunction overlap for small VR (|VR|<4 V), and due mainly to the tunneling escape of carriers through the barriers for larger VR. By applying an appropriate VR smaller than 4 V, electron-hole wavefunction overlap, which had been separated vertically along the c-axis due to quantum-confined Stark effect, could be partially recovered, and then the time-resolved PL signals exhibited a less-pronounced stretched exponential decay, giving a scaling parameter (β) of 0.85 and effective in-plane localization depth (E0) of 40-50 meV for the spontaneous emission. These values were closer to those of much homogeneous QWs compared to those reported previously for InGaN QWs having similar InN molar fractions. The use of very thin QWs is considered to bring easier Coulomb screening of FQW and population inversion under high excitation conditions.

Ultrafast and low barrier motions in the photoreactions of the green fluorescent protein.

PubMed

van Thor, Jasper J; Georgiev, Georgi Y; Towrie, Michael; Sage, J Timothy

2005-09-30

Green fluorescent protein (GFP) fluoresces efficiently under blue excitation despite major electrostatic rearrangements resulting from photoionization of the chromophore and neutralization of Glu-222. A competing phototransformation process, which ionizes the chromophore and decarboxylates Glu-222, mimics the electrostatic and structural changes in the fluorescence photocycle. Structural and spectroscopic analysis of the cryogenically stabilized photoproduct at 100 K and a structurally annealed intermediate of the phototransformed protein at 170 K reveals distinct structural relaxations involving protein, chromophore, solvent, and photogenerated CO2. Strong structural changes of the 100 K photoproduct after decarboxylation appear exclusively within 15 angstroms of the chromophore and include the electrostatically driven perturbations of Gln-69, Cys-70, and water molecules in an H-bonding network connecting the chromophore. X-ray crystallography to 1.85 angstroms resolution and static and picosecond time-resolved IR spectroscopy identify structural mechanisms common to phototransformation and to the fluorescence photocycle. In particular, the appearance of a 1697 cm(-1) (+) difference band in both photocycle and phototransformation intermediates is a spectroscopic signature for the structural perturbation of Gln-69. This is taken as evidence for an electrostatically driven dynamic response that is common to both photoreaction pathways. The interactions between the chromophore and the perturbed residues and solvent are decreased or removed in the T203H single and T203H/Q69L double mutants, resulting in a strong reduction of the fluorescence quantum yield. This suggests that the electrostatic response to the transient formation of a buried charge in the wild type is important for the bright fluorescence.

Single versus double-row repair of the rotator cuff: does double-row repair with improved anatomical and biomechanical characteristics lead to better clinical outcome?

PubMed

Pauly, Stephan; Gerhardt, Christian; Chen, Jianhai; Scheibel, Markus

2010-12-01

Several techniques for arthroscopic repair of rotator cuff defects have been introduced over the past years. Besides established techniques such as single-row repairs, new techniques such as double-row reconstructions have gained increasing interest. The present article therefore provides an overview of the currently available literature on both repair techniques with respect to several anatomical, biomechanical, clinical and structural endpoints. Systematic literature review of biomechanical, clinical and radiographic studies investigating or comparing single- and double-row techniques. These results were evaluated and compared to provide an overview on benefits and drawbacks of the respective repair type. Reconstructions of the tendon-to-bone unit for full-thickness tears in either single- or double-row technique differ with respect to several endpoints. Double-row repair techniques provide more anatomical reconstructions of the footprint and superior initial biomechanical characteristics when compared to single-row repair. With regard to clinical results, no significant differences were found while radiological data suggest a better structural tendon integrity following double-row fixation. Presently published clinical studies cannot emphasize a clearly superior technique at this time. Available biomechanical studies are in favour of double-row repair. Radiographic studies suggest a beneficial effect of double-row reconstruction on structural integrity of the reattached tendon or reduced recurrent defect rates, respectively.

Contribution of double scattering to structural coloration in quasiordered nanostructures of bird feathers

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

Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar

2010-07-28

We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broadermore » than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.« less

Double gloving to reduce surgical cross-infection.

PubMed

Tanner, J; Parkinson, H

2006-07-19

The invasive nature of surgery, with its increased exposure to blood, means that during surgery there is a high risk of transfer of pathogens. Pathogens can be transferred through contact between surgical patients and the surgical team, resulting in post-operative or blood borne infections in patients or blood borne infections in the surgical team. Both patients and the surgical team need to be protected from this risk. This risk can be reduced by implementing protective barriers such as wearing surgical gloves. Wearing two pairs of surgical gloves, triple gloves, glove liners or cloth outer gloves, as opposed to one pair, is considered to provide an additional barrier and further reduce the risk of contamination. The primary objective of this review was to determine if additional glove protection reduces the number of surgical site or blood borne infections in patients or the surgical team. The secondary objective was to determine if additional glove protection reduces the number of perforations to the innermost pair of surgical gloves. The innermost gloves (next to skin) compared with the outermost gloves are considered to be the last barrier between the patient and the surgical team. We searched the Cochrane Wounds Group Specialised Register (January 2006), and the Cochrane Central Register of Controlled Trials (CENTRAL)(The Cochrane Library Issue 4, 2005). We also contacted glove manufacturing companies and professional organisations. Randomised controlled trials involving: single gloving, double gloving, triple gloving, glove liners, knitted outer gloves, steel weave outer gloves and perforation indicator systems. Both authors independently assessed the relevance and quality of each trial. Data was extracted by one author and cross checked for accuracy by the second author. Two trials were found which addressed the primary outcome, namely, surgical site infections in patients. Both trials reported no infections. Thirty one randomised controlled trials measuring glove perforations were identified and included in the review. Fourteen trials of double gloving (wearing two pairs of surgical latex gloves) were pooled and showed that there were significantly more perforations to the single glove than the innermost of the double gloves (OR 4.10, 95% CI 3.30 to 5.09). Eight trials of indicator gloves (coloured latex gloves worn underneath latex gloves to more rapidly alert the team to perforations) showed that significantly fewer perforations were detected with single gloves compared with indicator gloves (OR 0.10, 95% CI 0.06 to 0.16) or with standard double glove compared with indicator gloves (OR 0.08, 95% CI 0.04 to 0.17). Two trials of glove liners (a glove knitted with cloth or polymers worn between two pairs of latex gloves)(OR 26.36, 95% CI 7.91 to 87.82), three trials of knitted gloves (knitted glove worn on top of latex surgical gloves)(OR 5.76, 95% CI 3.25 to 10.20) and one trial of triple gloving (three pairs of latex surgical gloves)(OR 69.41, 95% CI 3.89 to 1239.18) all compared with standard double gloves, showed there were significantly more perforations to the innermost glove of a standard double glove in all comparisons. There is no direct evidence that additional glove protection worn by the surgical team reduces surgical site infections in patients, however the review has insufficient power for this outcome. The addition of a second pair of surgical gloves significantly reduces perforations to innermost gloves. Triple gloving, knitted outer gloves and glove liners also significantly reduce perforations to the innermost glove. Perforation indicator systems results in significantly more innermost glove perforations being detected during surgery.

Structure and Composition of Isolated Core-Shell (In ,Ga )N /GaN Rods Based on Nanofocus X-Ray Diffraction and Scanning Transmission Electron Microscopy

NASA Astrophysics Data System (ADS)

Krause, Thilo; Hanke, Michael; Nicolai, Lars; Cheng, Zongzhe; Niehle, Michael; Trampert, Achim; Kahnt, Maik; Falkenberg, Gerald; Schroer, Christian G.; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-Heinrich; Waag, Andreas

2017-02-01

Nanofocus x-ray diffraction is used to investigate the structure and local strain field of an isolated (In ,Ga )N /GaN core-shell microrod. Because the high spatial resolution of the x-ray beam is only 80 ×90 nm2, we are able to investigate several distinct volumes on one individual side facet. Here, we find a drastic increase in thickness of the outer GaN shell along the rod height. Additionally, we performed high-angle annular dark-field scanning-transmission-electron-microscopy measurements on several rods from the same sample showing that (In,Ga)N double-quantum-well and GaN barrier thicknesses also increase strongly along the height. Moreover, plastic relaxation is observed in the top part of the rod. Based on the experimentally obtained structural parameters, we simulate the strain-induced deformation using the finite-element method, which serves as the input for subsequent kinematic scattering simulations. The simulations reveal a significant increase of elastic in-plane relaxation along the rod height. However, at a certain height, the occurrence of plastic relaxation yields a decrease of the elastic strain. Because of the experimentally obtained structural input for the finite-element simulations, we can exclude unknown structural influences on the strain distribution, and we are able to translate the elastic relaxation into an indium concentration which increases by a factor of 4 from the bottom to the height where plastic relaxation occurs.

Morphology and stratigraphy of small barrier-lagoon systems in Maine

USGS Publications Warehouse

Duffy, W.; Belknap, D.F.; Kelley, J.T.

1989-01-01

The coast of Maine contains over 200 individual barrier-lagoon systems, most quite small, with an aggregate length of nearly 100 km. Although they represent less than 5% of the tidally influenced coastline of Maine, they are widely distributed and occur in a variety of dynamic regimes and physiographic regions. Their morphology and backbarrier stratigraphy are different from better studied coastal plain systems, and provide important clues to the Holocene evolution of the Maine coast. In a study of geomorphic form and backbarrier stratigraphy, inlet processes and Holocene sea-level rise have been identified as the principal controls on coarse-grained barrier stratigraphy. Barriers in Maine are found in five distinct geomorphic forms, identified herein as: barrier spits, pocket barriers, double tombolos, cuspate barriers and looped barriers. The few long sandy beaches in southwestern Maine are mostly barrier spits. The remainder of the barrier types is composed primarily of gravel or mixed sand and gravel. The barriers protect a variety of backbarrier environments: fresh and brackish ponds, lagoons and fresh- and saltwater marshes. The barriers may or may not have inlets. Normal wave action, coarse-grain size and a deeply embayed coast result in barriers with steep, reflective profiles several meters above MHW. Occasional storm events completely wash over the barriers, building steep, lobate gravel fans along their landward margin. Few, if any, extensive storm layers are recognized as extending into the distal backbarrier environments, however. During sea-level rise and landward barrier retreat, this abrupt, storm-generated transition zone inters the backbarrier sediments. Statistical comparisons of barrier morphology, location and backbarrier environment type with backbarrier stratigraphy show that Holocene backbarrier stratigraphy is best predicted by the modern backbarrier environment type. This, in turn, is influenced most by the absence or presence, and long-term stability or instability of a tidal inlet. Geomorphic barrier form and location in coastal geomorphic compartments show little or no correlation with backbarrier stratigraphy. In contrast to previous classifications of barrier-lagoon systems based primarily on sandy, coastal plain examples, in Maine the shape or origin of the backbarrier system is relatively unimportant. The presence or absence of a tidal inlet is of paramount importance in shaping the Holocene stratigraphy of the backbarrier region. ?? 1989.

Barriers to and Facilitators of Research Utilization: A Survey of Registered Nurses in China

PubMed Central

Wang, Li-Ping; Jiang, Xiao-Lian; Wang, Lei; Wang, Guo-Rong; Bai, Yang-Jing

2013-01-01

Aims This survey aims to describe the perception of barriers to and facilitators of research utilization by registered nurses in Sichuan province, China, and to explore the factors influencing the perceptions of the barriers to and facilitators of research utilization. Methods A cross sectional survey design and a double cluster sampling method were adopted. A total of 590 registered nurses from 3 tertiary level hospitals in Sichuan province, China, were recruited in a period from September 2006 to January 2007. A modified BARRUERS Scale and a Facilitators Scale were used. Data were analyzed with descriptive statistics, rank transformation test, and multiple linear regression. Results Barriers related to the setting subscale were more influential than barriers related to other subscales. The lack of authority was ranked as the top greatest barrier (15.7%), followed by the lack of time (13.4%) and language barrier (15.0%). Additional barriers identified were the reluctance of patients to research utilization, the lack of funding, and the lack of legal protection. The top three greatest facilitators were enhancing managerial support (36.9%), advancing education to increase knowledge base (21.1%), and increasing time for reviewing and implementing (17.5%), while cooperation of patients to research utilization, establishing a panel to evaluate researches, and funding were listed as additional facilitators. Hospital, educational background, research experience, and knowledge on evidence-based nursing were the factors influencing perceptions of the barriers and facilitators. Conclusions Nurses in China are facing a number of significant barriers in research utilization. Enhancing managerial support might be the most promising facilitator, given Chinese traditional culture and existing health care system. Hospital, educational background, research experience and knowledge on evidence-based nursing should be taken into account to promote research utilization. The BARRIERS Scale should consider funding and involvement of patients in research utilization. PMID:24312380

Double-Layer Structured CO2 Adsorbent Functionalized with Modified Polyethyleneimine for High Physical and Chemical Stability.

PubMed

Jeon, Sunbin; Jung, Hyunchul; Kim, Sung Hyun; Lee, Ki Bong

2018-06-18

CO 2 capture using polyethyleneimine (PEI)-impregnated silica adsorbents has been receiving a lot of attention. However, the absence of physical stability (evaporation and leaching of amine) and chemical stability (urea formation) of the PEI-impregnated silica adsorbent has been generally established. Therefore, in this study, a double-layer impregnated structure, developed using modified PEI, is newly proposed to enhance the physical and chemical stabilities of the adsorbent. Epoxy-modified PEI and diepoxide-cross-linked PEI were impregnated via a dry impregnation method in the first and second layers, respectively. The physical stability of the double-layer structured adsorbent was noticeably enhanced when compared to the conventional adsorbents with a single layer. In addition to the enhanced physical stability, the result of simulated temperature swing adsorption cycles revealed that the double-layer structured adsorbent presented a high potential working capacity (3.5 mmol/g) and less urea formation under CO 2 -rich regeneration conditions. The enhanced physical and chemical stabilities as well as the high CO 2 working capacity of the double-layer structured adsorbent were mainly attributed to the second layer consisting of diepoxide-cross-linked PEI.

Calculation of the Schottky barrier and current–voltage characteristics of metal–alloy structures based on silicon carbide

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

Altuhov, V. I., E-mail: altukhovv@mail.ru; Kasyanenko, I. S.; Sankin, A. V.

2016-09-15

A simple but nonlinear model of the defect density at a metal–semiconductor interface, when a Schottky barrier is formed by surface defects states localized at the interface, is developed. It is shown that taking the nonlinear dependence of the Fermi level on the defect density into account leads to a Schottky barrier increase by 15–25%. The calculated barrier heights are used to analyze the current–voltage characteristics of n-M/p-(SiC){sub 1–x}(AlN){sub x} structures. The results of calculations are compared to experimental data.

Barriers to Mammography among Inadequately Screened Women

ERIC Educational Resources Information Center

Stoll, Carolyn R. T.; Roberts, Summer; Cheng, Meng-Ru; Crayton, Eloise V.; Jackson, Sherrill; Politi, Mary C.

2015-01-01

Mammography use has increased over the past 20 years, yet more than 30% of women remain inadequately screened. Structural barriers can deter individuals from screening, however, cognitive, emotional, and communication barriers may also prevent mammography use. This study sought to identify the impact of number and type of barriers on mammography…

Theory of chaos regularization of tunneling in chaotic quantum dots.

PubMed

Lee, Ming-Jer; Antonsen, Thomas M; Ott, Edward; Pecora, Louis M

2012-11-01

Recent numerical experiments of Pecora et al. [Phys. Rev. E 83, 065201 (2011)] have investigated tunneling between two-dimensional symmetric double wells separated by a tunneling barrier. The wells were bounded by hard walls and by the potential barrier which was created by a step increase from the zero potential within a well to a uniform barrier potential within the barrier region, which is a situation potentially realizable in the context of quantum dots. Numerical results for the splitting of energy levels between symmetric and antisymmetric eigenstates were calculated. It was found that the splittings vary erratically from state to state, and the statistics of these variations were studied for different well shapes with the fluctuation levels being much less in chaotic wells than in comparable nonchaotic wells. Here we develop a quantitative theory for the statistics of the energy level splittings for chaotic wells. Our theory is based on the random plane wave hypothesis of Berry. While the fluctuation statistics are very different for chaotic and nonchaotic well dynamics, we show that the mean splittings of differently shaped wells, including integrable and chaotic wells, are the same if their well areas and barrier parameters are the same. We also consider the case of tunneling from a single well into a region with outgoing quantum waves.

Gait Pattern Alterations during Walking, Texting and Walking and Texting during Cognitively Distractive Tasks while Negotiating Common Pedestrian Obstacles

PubMed Central

Licence, Sammy; Smith, Robynne; McGuigan, Miranda P.; Earnest, Conrad P.

2015-01-01

Objectives Mobile phone texting is a common daily occurrence with a paucity of research examining corresponding gait characteristics. To date, most studies have participants walk in a straight line vs. overcoming barriers and obstacles that occur during regular walking. The aim of our study is to examine the effect of mobile phone texting during periods of cognitive distraction while walking and negotiating barriers synonymous with pedestrian traffic. Methods Thirty participants (18-50y) completed three randomized, counter-balanced walking tasks over a course during: (1) normal walking (control), (2) texting and walking, and (3) texting and walking whilst being cognitively distraction via a standard mathematical test performed while negotiating the obstacle course. We analyzed gait characteristics during course negotiation using a 3-dimensional motion analysis system and a general linear model and Dunnet-Hsu post-hoc procedure the normal walking condition to assess gait characteristic differences. Primary outcomes included the overall time to complete the course time and barrier contact. Secondary outcomes included obstacle clearance height, step frequency, step time, double support phase and lateral deviation. Results Participants took significantly longer (mean ± SD) to complete the course while texting (24.96±4.20 sec) and during cognitive distraction COG (24.09±3.36 sec) vs. normal walking (19.32±2.28 sec; all, P<0.001). No significant differences were noted for barrier contacts (P = 0.28). Step frequency, step time, double support phase and lateral deviation all increased in duration during the texting and cognitive distraction trial. Texting and being cognitively distracted also increased obstacle clearance versus the walking condition (all, P<0.02). Conclusions Texting while walking and/or being cognitively distracted significantly affect gait characteristics concordant to mobile phone usage resulting in a more cautious gate pattern. Future research should also examine a similar study in older participants who may be at a greater risk of tripping with such walking deviations. PMID:26222430

Nanoscale structural and chemical analysis of F-implanted enhancement-mode InAlN/GaN heterostructure field effect transistors

NASA Astrophysics Data System (ADS)

Tang, Fengzai; Lee, Kean B.; Guiney, Ivor; Frentrup, Martin; Barnard, Jonathan S.; Divitini, Giorgio; Zaidi, Zaffar H.; Martin, Tomas L.; Bagot, Paul A.; Moody, Michael P.; Humphreys, Colin J.; Houston, Peter A.; Oliver, Rachel A.; Wallis, David J.

2018-01-01

We investigate the impact of a fluorine plasma treatment used to obtain enhancement-mode operation on the structure and chemistry at the nanometer and atomic scales of an InAlN/GaN field effect transistor. The fluorine plasma treatment is successful in that enhancement mode operation is achieved with a +2.8 V threshold voltage. However, the InAlN barrier layers are observed to have been damaged by the fluorine treatment with their thickness being reduced by up to 50%. The treatment also led to oxygen incorporation within the InAlN barrier layers. Furthermore, even in the as-grown structure, Ga was unintentionally incorporated during the growth of the InAlN barrier. The impact of both the reduced barrier thickness and the incorporated Ga within the barrier on the transistor properties has been evaluated theoretically and compared to the experimentally determined two-dimensional electron gas density and threshold voltage of the transistor. For devices without fluorine treatment, the two-dimensional electron gas density is better predicted if the quaternary nature of the barrier is taken into account. For the fluorine treated device, not only the changes to the barrier layer thickness and composition, but also the fluorine doping needs to be considered to predict device performance. These studies reveal the factors influencing the performance of these specific transistor structures and highlight the strengths of the applied nanoscale characterisation techniques in revealing information relevant to device performance.

From lattice Hamiltonians to tunable band structures by lithographic design

NASA Astrophysics Data System (ADS)

Tadjine, Athmane; Allan, Guy; Delerue, Christophe

2016-08-01

Recently, new materials exhibiting exotic band structures characterized by Dirac cones, nontrivial flat bands, and band crossing points have been proposed on the basis of effective two-dimensional lattice Hamiltonians. Here, we show using atomistic tight-binding calculations that these theoretical predictions could be experimentally realized in the conduction band of superlattices nanolithographed in III-V and II-VI semiconductor ultrathin films. The lithographed patterns consist of periodic lattices of etched cylindrical holes that form potential barriers for the electrons in the quantum well. In the case of honeycomb lattices, the conduction minibands of the resulting artificial graphene host several Dirac cones and nontrivial flat bands. Similar features, but organized in different ways, in energy or in k -space are found in kagome, distorted honeycomb, and Lieb superlattices. Dirac cones extending over tens of meV could be obtained in superlattices with reasonable sizes of the lithographic patterns, for instance in InAs/AlSb heterostructures. Bilayer artificial graphene could be also realized by lithography of a double quantum-well heterostructure. These new materials should be interesting for the experimental exploration of Dirac-based quantum systems, for both fundamental and applied physics.

Fine structure of the retinal pigment epithelium of the great horned owl (Bubo virginianus).

PubMed

Braekevelt, C R; Thorlakson, I J

1993-01-01

The fine structure of the retinal epithelium (RPE), choriocapillaries and Bruch's membrane (complexus basalis) has been studied by light and electron microscopy in the great horned owl (Bubo virginianus). The RPE consists of a single layer of cuboidal cells joined laterally in the mid to basal region by a series of tight junctions forming part of the blood-ocular barrier. Basally (sclerally) the epithelial cells show numerous deep infoldings while apically (vitreally) a wealth of microvillar processes interdigitate with the photoreceptor cells. Internally the RPE cells display a large vesicular nucleus, plentiful smooth endoplasmic reticulum (SER) and polysomes with only small scattered profiles of rough endoplasmic reticulum (RER). Numerous pleomorphic mitochondria are basally located. In the light-adapted state the melanosomes are located almost exclusively within the apical processes indicating retinomotor movements. Myeloid bodies are numerous and often show ribosomes on their outer surface. Bruch's membrane is typical of avian species in that it is pentalaminate and the lamina densa is displaced towards the choriocapillaris. The choriocapillaris itself is but minimally fenestrated facing Bruch's membrane. Most fenestrations present show a single layered diaphragm while others display a double-layered diaphragm.

Gas sensor with attenuated drift characteristic

DOEpatents

Chen, Ing-Shin [Danbury, CT; Chen, Philip S. H. [Bethel, CT; Neuner, Jeffrey W [Bethel, CT; Welch, James [Fairfield, CT; Hendrix, Bryan [Danbury, CT; Dimeo, Jr., Frank [Danbury, CT

2008-05-13

A sensor with an attenuated drift characteristic, including a layer structure in which a sensing layer has a layer of diffusional barrier material on at least one of its faces. The sensor may for example be constituted as a hydrogen gas sensor including a palladium/yttrium layer structure formed on a micro-hotplate base, with a chromium barrier layer between the yttrium layer and the micro-hotplate, and with a tantalum barrier layer between the yttrium layer and an overlying palladium protective layer. The gas sensor is useful for detection of a target gas in environments susceptible to generation or incursion of such gas, and achieves substantial (e.g., >90%) reduction of signal drift from the gas sensor in extended operation, relative to a corresponding gas sensor lacking the diffusional barrier structure of the invention

Nonlocal Poisson-Fermi double-layer models: Effects of nonuniform ion sizes on double-layer structure

NASA Astrophysics Data System (ADS)

Xie, Dexuan; Jiang, Yi

2018-05-01

This paper reports a nonuniform ionic size nonlocal Poisson-Fermi double-layer model (nuNPF) and a uniform ionic size nonlocal Poisson-Fermi double-layer model (uNPF) for an electrolyte mixture of multiple ionic species, variable voltages on electrodes, and variable induced charges on boundary segments. The finite element solvers of nuNPF and uNPF are developed and applied to typical double-layer tests defined on a rectangular box, a hollow sphere, and a hollow rectangle with a charged post. Numerical results show that nuNPF can significantly improve the quality of the ionic concentrations and electric fields generated from uNPF, implying that the effect of nonuniform ion sizes is a key consideration in modeling the double-layer structure.

Molecular structure of r/GCG/d/TATACGC/ - A DNA-RNA hybrid helix joined to double helical DNA

NASA Technical Reports Server (NTRS)

Wang, A. H.-J.; Fujii, S.; Rich, A.; Van Boom, J. H.; Van Der Marel, G. A.; Van Boeckel, S. A. A.

1982-01-01

The molecule r(GCG)d(TATACGC) is self-complementary and forms two DNA-RNA hybrid segments surrounding a central region of double helical DNA; its molecular structure has been solved by X-ray analysis. All three parts of the molecule adopt a conformation which is close to that seen in the 11-fold RNA double helix. The conformation of the ribonucleotides is partly determined by water molecules bridging between the ribose O2' hydroxyl group and cytosine O2. The hybrid-DNA duplex junction contains no structural discontinuities. However, the central DNA TATA sequence has some structural irregularities.

Femtosecond laser-induced periodic structure adjustments based on electron dynamics control: from subwavelength ripples to double-grating structures.

PubMed

Shi, Xuesong; Jiang, Lan; Li, Xin; Wang, Sumei; Yuan, Yanping; Lu, Yongfeng

2013-10-01

This study proposes a method for adjusting subwavelength ripple periods and the corresponding double-grating structures formed on fused silica by designing femtosecond laser pulse trains based on localized transient electron density control. Four near-constant period ranges of 190-490 nm of ripples perpendicular to the polarization are obtained by designing pulse trains to excite and modulate the surface plasmon waves. In the period range of 350-490 nm, the double-grating structure is fabricated in one step, which is probably attributable to the grating-assisted enhanced energy deposition and subsequent thermal effects.

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

Meagher, Martin; Enemark, Eric J.

The crystal structure of the N-terminal domain of thePyrococcus furiosusminichromosome maintenance (MCM) protein as a double hexamer is described. The MCM complex is a ring-shaped helicase that unwinds DNA at the replication fork of eukaryotes and archaea. Prior to replication initiation, the MCM complex assembles as an inactive double hexamer at specific sites of DNA. The presented structure is highly consistent with previous MCM double-hexamer structures and shows two MCM hexamers with a head-to-head interaction mediated by the N-terminal domain. Minor differences include a diminished head-to-head interaction and a slightly reduced inter-hexamer rotation.

Structural barriers in access to medical marijuana in the USA-a systematic review protocol.

PubMed

Valencia, Celina I; Asaolu, Ibitola O; Ehiri, John E; Rosales, Cecilia

2017-08-07

There are 43 state medical marijuana programs in the USA, yet limited evidence is available on the demographic characteristics of the patient population accessing these programs. Moreover, insights into the social and structural barriers that inform patients' success in accessing medical marijuana are limited. A current gap in the scientific literature exists regarding generalizable data on the social, cultural, and structural mechanisms that hinder access to medical marijuana among qualifying patients. The goal of this systematic review, therefore, is to identify the aforementioned mechanisms that inform disparities in access to medical marijuana in the USA. This scoping review protocol outlines the proposed study design for the systematic review and evaluation of peer-reviewed scientific literature on structural barriers to medical marijuana access. The protocol follows the guidelines set forth by the Preferred Reporting Items for Systematic review and Meta-Analysis Protocols (PRISMA-P) checklist. The overarching goal of this study is to rigorously evaluate the existing peer-reviewed data on access to medical marijuana in the USA. Income, ethnic background, stigma, and physician preferences have been posited as the primary structural barriers influencing medical marijuana patient population demographics in the USA. Identification of structural barriers to accessing medical marijuana provides a framework for future policies and programs. Evidence-based policies and programs for increasing medical marijuana access help minimize the disparity of access among qualifying patients.

Dysfunctions at human intestinal barrier by water-borne protozoan parasites: lessons from cultured human fully differentiated colon cancer cell lines.

PubMed

Liévin-Le Moal, Vanessa

2013-06-01

Some water-borne protozoan parasites induce diseases through their membrane-associated functional structures and virulence factors that hijack the host cellular molecules and signalling pathways leading to structural and functional lesions in the intestinal barrier. In this Microreview we analyse the insights on the mechanisms of pathogenesis of Entamoeba intestinalis, Giardia and Cryptosporidium observed in the human colon carcinoma fully differentiated colon cancer cell lines, cell subpopulations and clones expressing the structural and functional characteristics of highly specialized fully differentiated epithelial cells lining the intestinal epithelium and mimicking structurally and functionally an intestinal barrier. © 2013 John Wiley & Sons Ltd.

Corrosion-resistant multilayer structures with improved reflectivity

DOEpatents

Soufli, Regina; Fernandez-Perea, Monica; Robinson, Jeff C.

2013-04-09

In one general embodiment, a thin film structure includes a substrate; a first corrosion barrier layer above the substrate; a reflective layer above the first corrosion barrier layer, wherein the reflective layer comprises at least one repeating set of sub-layers, wherein one of the sub-layers of each set of sub-layers being of a corrodible material; and a second corrosion barrier layer above the reflective layer. In another general embodiment, a system includes an optical element having a thin film structure as recited above; and an image capture or spectrometer device. In a further general embodiment, a laser according to one embodiment includes a light source and the thin film structure as recited above.

Erosion Performance of Gadolinium Zirconate-Based Thermal Barrier Coatings Processed by Suspension Plasma Spray

NASA Astrophysics Data System (ADS)

Mahade, Satyapal; Curry, Nicholas; Björklund, Stefan; Markocsan, Nicolaie; Nylén, Per; Vaßen, Robert

2017-01-01

7-8 wt.% Yttria-stabilized zirconia (YSZ) is the standard thermal barrier coating (TBC) material used by the gas turbines industry due to its excellent thermal and thermo-mechanical properties up to 1200 °C. The need for improvement in gas turbine efficiency has led to an increase in the turbine inlet gas temperature. However, above 1200 °C, YSZ has issues such as poor sintering resistance, poor phase stability and susceptibility to calcium magnesium alumino silicates (CMAS) degradation. Gadolinium zirconate (GZ) is considered as one of the promising top coat candidates for TBC applications at high temperatures (>1200 °C) due to its low thermal conductivity, good sintering resistance and CMAS attack resistance. Single-layer 8YSZ, double-layer GZ/YSZ and triple-layer GZdense/GZ/YSZ TBCs were deposited by suspension plasma spray (SPS) process. Microstructural analysis was carried out by scanning electron microscopy (SEM). A columnar microstructure was observed in the single-, double- and triple-layer TBCs. Phase analysis of the as-sprayed TBCs was carried out using XRD (x-ray diffraction) where a tetragonal prime phase of zirconia in the single-layer YSZ TBC and a cubic defect fluorite phase of GZ in the double and triple-layer TBCs was observed. Porosity measurements of the as-sprayed TBCs were made by water intrusion method and image analysis method. The as-sprayed GZ-based multi-layered TBCs were subjected to erosion test at room temperature, and their erosion resistance was compared with single-layer 8YSZ. It was shown that the erosion resistance of 8YSZ single-layer TBC was higher than GZ-based multi-layered TBCs. Among the multi-layered TBCs, triple-layer TBC was slightly better than double layer in terms of erosion resistance. The eroded TBCs were cold-mounted and analyzed by SEM.

Acoustic contributions of a sound absorbing blanket placed in a double panel structure: absorption versus transmission.

PubMed

Doutres, Olivier; Atalla, Noureddine

2010-08-01

The objective of this paper is to propose a simple tool to estimate the absorption vs. transmission loss contributions of a multilayered blanket unbounded in a double panel structure and thus guide its optimization. The normal incidence airborne sound transmission loss of the double panel structure, without structure-borne connections, is written in terms of three main contributions; (i) sound transmission loss of the panels, (ii) sound transmission loss of the blanket and (iii) sound absorption due to multiple reflections inside the cavity. The method is applied to four different blankets frequently used in automotive and aeronautic applications: a non-symmetric multilayer made of a screen in sandwich between two porous layers and three symmetric porous layers having different pore geometries. It is shown that the absorption behavior of the blanket controls the acoustic behavior of the treatment at low and medium frequencies and its transmission loss at high frequencies. Acoustic treatment having poor sound absorption behavior can affect the performance of the double panel structure.

Synthesis of uniformly distributed single- and double-sided zinc oxide (ZnO) nanocombs

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

Altintas Yildirim, Ozlem; Liu, Yuzi; Petford-Long, Amanda K.

Uniformly distributed single- and double-sided zinc oxide (ZnO) nanocomb structures have been prepared by a vapor-liquid-solid technique from a mixture of ZnO nanoparticles and graphene nanoplatelets. The ZnO seed nanoparticles were synthesized via a simple precipitation method. The structure of the ZnO nanocombs could easily be controlled by tuning the carrier-gas flow rate during growth. Higher flow rate resulted in the formation of uniformly-distributed single-sided comb structures with nanonail-shaped teeth, as a result of the self-catalysis effect of the catalytically active Zn-terminated polar (0001) surface. Lower gas flow rate was favorable for production of double-sided comb structures with the twomore » sets of teeth at an angle of similar to 110 degrees to each other along the comb ribbon, which was attributed to the formation of a bicrystal nanocomb ribbon. Lastly, the formation of such a double-sided structure with nanonail-shaped teeth has not previously been reported.« less

Synthesis of uniformly distributed single- and double-sided zinc oxide (ZnO) nanocombs

DOE PAGES

Altintas Yildirim, Ozlem; Liu, Yuzi; Petford-Long, Amanda K.

2015-08-21

Uniformly distributed single- and double-sided zinc oxide (ZnO) nanocomb structures have been prepared by a vapor-liquid-solid technique from a mixture of ZnO nanoparticles and graphene nanoplatelets. The ZnO seed nanoparticles were synthesized via a simple precipitation method. The structure of the ZnO nanocombs could easily be controlled by tuning the carrier-gas flow rate during growth. Higher flow rate resulted in the formation of uniformly-distributed single-sided comb structures with nanonail-shaped teeth, as a result of the self-catalysis effect of the catalytically active Zn-terminated polar (0001) surface. Lower gas flow rate was favorable for production of double-sided comb structures with the twomore » sets of teeth at an angle of similar to 110 degrees to each other along the comb ribbon, which was attributed to the formation of a bicrystal nanocomb ribbon. Lastly, the formation of such a double-sided structure with nanonail-shaped teeth has not previously been reported.« less

Decoupling capabilities of split-loop resonator structure for 7 Tesla MRI surface array coils

NASA Astrophysics Data System (ADS)

Hurshkainen, A.; Kurdjumov, S.; Simovski, C.; Glybovski, S.; Melchakova, I.; van den Berg, C. A. T.; Raaijmakers, A.; Belov, P.

2017-09-01

In this work we studied electromagnetic properties of one-dimentional periodic structures composed of split-loop res-onators (SLRs) and investigated their capabilities in decoupling of two dipole antennas for full-body magnetic resonance imaging (MRI). Two different finite structures comprising a single-SLR and a double-SLR constitutive elements were studied. Numerical simulations of the structures were performed to evaluate their decoupling capabilities. As it was demonstrated two dipole antennas equipped with either a single or a double-SLR structure exhibit high isolation even for an electrically short distance between the dipoles. Double-SLR structure while dramatically improving isolation of the dipoles keeps the field created by each of the decoupled dipoles comparable with one of a single dipole inside the target area.

Double-walled structure of anodic TiO2 nanotubes in H3PO4/NH4F mixed electrolyte

NASA Astrophysics Data System (ADS)

Chen, Siyu; Chen, Ying; Li, Chengyuan; Ouyang, Huijun; Qin, Shuai; Song, Ye

2018-04-01

Normally, the well-ordered anodic TiO2 nanotubes (ATNTs) are obtained in NH4F electrolyte, after annealing, the double-walled structure of nanotubes will appear. Here, after adding H3PO4 into NHF4 electrolyte, we got the double-walled structure of nanotubes by anodizing without annealing, which means the direct existence of anion-contaminated layer in ATNTs. Influence of H3PO4 content on anodizing voltage and morphology of ATNTs were compared in detail. The XRD pattern illustrated that the crystallinity decreases with increasing H3PO4 concentration, and the anion-contaminated layer thickens with the increase of H3PO4 concentration. Meanwhile, the existence of the anion-contaminated layer also proved the limitations of the filed-assisted dissolution theory, while the double-walled structure can be explained by oxygen bubble model and plastic flow model.

Structural and Thermodynamic Factors of Suppressed Interdiffusion Kinetics in Multi-component High-entropy Materials

PubMed Central

Chang, Shou-Yi; Li, Chen-En; Huang, Yi-Chung; Hsu, Hsun-Feng; Yeh, Jien-Wei; Lin, Su-Jien

2014-01-01

We report multi-component high-entropy materials as extraordinarily robust diffusion barriers and clarify the highly suppressed interdiffusion kinetics in the multi-component materials from structural and thermodynamic perspectives. The failures of six alloy barriers with different numbers of elements, from unitary Ti to senary TiTaCrZrAlRu, against the interdiffusion of Cu and Si were characterized, and experimental results indicated that, with more elements incorporated, the failure temperature of the barriers increased from 550 to 900°C. The activation energy of Cu diffusion through the alloy barriers was determined to increase from 110 to 163 kJ/mole. Mechanistic analyses suggest that, structurally, severe lattice distortion strains and a high packing density caused by different atom sizes, and, thermodynamically, a strengthened cohesion provide a total increase of 55 kJ/mole in the activation energy of substitutional Cu diffusion, and are believed to be the dominant factors of suppressed interdiffusion kinetics through the multi-component barrier materials. PMID:24561911

Structural analysis of nucleosomal barrier to transcription

PubMed Central

Gaykalova, Daria A.; Kulaeva, Olga I.; Volokh, Olesya; Shaytan, Alexey K.; Hsieh, Fu-Kai; Kirpichnikov, Mikhail P.; Sokolova, Olga S.; Studitsky, Vasily M.

2015-01-01

Thousands of human and Drosophila genes are regulated at the level of transcript elongation and nucleosomes are likely targets for this regulation. However, the molecular mechanisms of formation of the nucleosomal barrier to transcribing RNA polymerase II (Pol II) and nucleosome survival during/after transcription remain unknown. Here we show that both DNA–histone interactions and Pol II backtracking contribute to formation of the barrier and that nucleosome survival during transcription likely occurs through allosterically stabilized histone–histone interactions. Structural analysis indicates that after Pol II encounters the barrier, the enzyme backtracks and nucleosomal DNA recoils on the octamer, locking Pol II in the arrested state. DNA is displaced from one of the H2A/H2B dimers that remains associated with the octamer. The data reveal the importance of intranucleosomal DNA–protein and protein–protein interactions during conformational changes in the nucleosome structure on transcription. Mechanisms of nucleosomal barrier formation and nucleosome survival during transcription are proposed. PMID:26460019

Saltwater-barrier line in Florida : concepts, considerations, and site examples

USGS Publications Warehouse

Hughes, Jerry L.

1979-01-01

Construction of canals and enlargement of streams in Florida has been mostly to alleviate impact of floods and to drain wetlands for development. Land drainage and heavy pumpage from coastal water-table aquifers has degraded potable ground and surface water with saltwater. Control of saltwater intrusion is possible through implementation of certain hydrologic principles. State of Florida statute 373.033 provides for a saltwater-barrier line in areas of saltwater intrusion along canals. A saltwater-barrier line is defined as the allowable landward limit that a canal shall be constructed or enlarged or a stream deepened or enlarged without a salinity-control structure seaward of the saltwater-barrier line. The salinity control structure controls saltwater intrusion along a surface-water channel and assists in controlling saltwater intrusion into shallow aquifers. This report briefly reviews the fundamentals of saltwater intrusion in surface-water channels and associated coastal aquifers, describes the effects of established saltwater-barrier lines in Florida, and gives a history of the use and benefits of salinity-control structures. (Woodard-USGS).

The barriers to clinical coding in general practice: a literature review.

PubMed

de Lusignan, S

2005-06-01

Clinical coding is variable in UK general practice. The reasons for this remain undefined. This review explains why there are no readily available alternatives to recording structured clinical data and reviews the barriers to recording structured clinical data. Methods used included a literature review of bibliographic databases, university health informatics departments, and national and international medical informatics associations. The results show that the current state of development of computers and data processing means there is no practical alternative to coding data. The identified barriers to clinical coding are: the limitations of the coding systems and terminologies and the skill gap in their use; recording structured data in the consultation takes time and is distracting; the level of motivation of primary care professionals; and the priority within the organization. A taxonomy is proposed to describe the barriers to clinical coding. This can be used to identify barriers to coding and facilitate the development of strategies to overcome them.

Monolithic integration of a resonant tunneling diode and a quantum well semiconductor laser

NASA Astrophysics Data System (ADS)

Grave, I.; Kan, S. C.; Griffel, G.; Wu, S. W.; Sa'Ar, A.

1991-01-01

A monolithic integration of a double barrier AlAs/GaAs resonant tunneling diode and a GaAs/AlGaAs quantum well laser is reported. Negative differential resistance and negative differential optical response are observed at room temperature. The device displays bistable electrical and optical characteristics which are voltage controlled. Operation as a two-state optical memory is demonstrated.

A millimeter wave quasi-optical mixer and multiplier

NASA Technical Reports Server (NTRS)

1977-01-01

The results of an experimental study of a biconical quasi-optical Schottky barrier diode mount design which could be used for mixing and multiplying in the frequency range 200-1000 Ghz are reported. The biconical mount is described and characteristics measured at 185 Ghz are presented. The use of the mount for quasi-optical frequency doubling from 56 to 112 Ghz is described and efficiency estimates given.

Electrical control of the spin-orbit coupling in GaAs from single to double and triple wells

NASA Astrophysics Data System (ADS)

Wang, W.; Li, X. M.; Fu, J. Y.

2015-12-01

We consider a realistic GaAs/Al0.3Ga0.7As well, inside which there are either one or two additional AlxGa1 - xAs barriers embedded, with two occupied electron subbands ν = 1, 2. By varying the Al content x in the AlxGa1 - xAs layer, we investigate the electrical control of the spin-orbit (SO) interaction, i.e., intrasubband Rashba (Dresselhaus) αν (βν) and intersubband Rashba (Dresselhaus) η (Γ), in the course of the transition of our system from single to double and triple wells. At x = 0 (single well), the scenario of SO terms is usual, e.g., α1 and α2 have the same sign and both change almost linearly as functions of an external gate voltage Vg. In contrast, when x away from zero and only one AlxGa1 - xAs barrier embedded (double well), α1 and α2 tend to have opposite signs, and α2 first increases with Vg, while peaks at some point depending on x. For a larger value of x, α2 increases with Vg more abruptly till it peaks. As opposed to α1 and α2, the intrasubband Dresselhaus terms βν have a relatively weak dependence on Vg, and β1 and β2 become close as x increases. As for the intersubband SO terms, at x = 0, the Rashba coupling η remains essentially constant, while the Dresselhaus Γ changes almost linearly with Vg. When x is nonzero, on the one hand, both η and Γ have a sensitive dependence on Vg near the symmetric configuration; on the other hand, right at the symmetric configuration η exhibits the highest while Γ vanishes. In the case of our system having two additional AlxGa1 - xAs barriers (triple well), we find that the gate dependence of SO terms becomes more smooth and βν becomes more stronger. The persistent-spin-helix symmetry of the two subbands is also discussed. These results are expected to be important for a broad control of the SO interaction in semiconductor nanostructures.

Anti-terrorist vehicle crash impact energy absorbing barrier

DOEpatents

Swahlan, David J.

1989-01-01

An anti-terrorist vehicle crash barrier includes side support structures, crushable energy absorbing aluminum honeycomb modules, and an elongated impact-resistant beam extending between, and at its opposite ends through vertical guideways defined by, the side support structures. An actuating mechanism supports the beam at its opposite ends for movement between a lowered barrier-withdrawn position in which a traffic-supporting side of the beam is aligned with a traffic-bearing surface permitting vehicular traffic between the side support structures and over the beam, and a raised barrier-imposed position in which the beam is aligned with horizontal guideways defined in the side support structures above the traffic-bearing surface, providing an obstruction to vehicular traffic between the side support structures. The beam is movable rearwardly in the horizontal guideways with its opposite ends disposed transversely therethrough upon being impacted at its forward side by an incoming vehicle. The crushable modules are replaceably disposed in the horizontal guideways between aft ends thereof and the beam. The beam, replaceable modules, side support structures and actuating mechanism are separate and detached from one another such that the beam and replaceable modules are capable of coacting to disable and stop an incoming vehicle without causing structural damage to the side support structures and actuating mechanism.

Multidimensional structure of a questionnaire to assess barriers to and motivators of physical activity in recipients of solid organ transplantation.

PubMed

van Adrichem, Edwin J; Krijnen, Wim P; Dekker, Rienk; Ranchor, Adelita V; Dijkstra, Pieter U; van der Schans, Cees P

2017-11-01

To explore the underlying dimensions of the Barriers and Motivators Questionnaire that is used to assess barriers to and motivators of physical activity experienced by recipients of solid organ transplantation and thereby improve the application in research and clinical settings. A cross-sectional study was performed in recipients of solid organ transplantation (n = 591; median (IQR) age = 59 (49; 66); 56% male). The multidimensional structure of the questionnaire was analyzed by exploratory principal component analysis. Cronbach's α was calculated to determine internal consistency of the entire questionnaire and individual components. The barriers scale had a Cronbach's α of 0.86 and was subdivided into four components; α of the corresponding subscales varied between 0.80 and 0.66. The motivator scale had an α of 0.91 and was subdivided into four components with an α between 0.88 to 0.70. Nine of the original barrier items and two motivator items were not included in the component structure. A four-dimensional structure for both the barriers and motivators scale of the questionnaire is supported. The use of the indicated subscales increases the usability in research and clinical settings compared to the overall scores and provide opportunities to identify modifiable constructs to be targeted in interventions. Implications for rehabilitation Organ transplant recipients are less active than the general population despite established health benefits of physical activity. A multidimensional structure is shown in the Barriers and Motivators Questionnaire, the use of the identified subscales increases applicability in research and clinical settings. The use of the questionnaire with its component structure in the clinical practice of a rehabilitation physician could result in a faster assessment of problem areas in daily practice and result in a higher degree of clarity as opposed to the use of the individual items of the questionnaire.

Detection of Ammonia-Oxidizing Bacteria (AOB) Using a Porous Silicon Optical Biosensor Based on a Multilayered Double Bragg Mirror Structure.

PubMed

Zhang, Hongyan; Lv, Jie; Jia, Zhenhong

2018-01-01

We successfully demonstrate a porous silicon (PS) double Bragg mirror by electrochemical etching at room temperature as a deoxyribonucleic acid (DNA) label-free biosensor for detecting ammonia-oxidizing bacteria (AOB). Compared to various other one-dimension photonic crystal configurations of PS, the double Bragg mirror structure is quite easy to prepare and exhibits interesting optical properties. The width of high reflectivity stop band of the PS double Bragg mirror is about 761 nm with a sharp and deep resonance peak at 1328 nm in the reflectance spectrum, which gives a high sensitivity and distinguishability for sensing performance. The detection sensitivity of such a double Bragg mirror structure is illustrated through the investigation of AOB DNA hybridization in the PS pores. The redshifts of the reflectance spectra show a good linear relationship with both complete complementary and partial complementary DNA. The lowest detection limit for complete complementary DNA is 27.1 nM and the detection limit of the biosensor for partial complementary DNA is 35.0 nM, which provides the feasibility and effectiveness for the detection of AOB in a real environment. The PS double Bragg mirror structure is attractive for widespread biosensing applications and provides great potential for the development of optical applications.

Local concurrent error detection and correction in data structures using virtual backpointers

NASA Technical Reports Server (NTRS)

Li, C. C.; Chen, P. P.; Fuchs, W. K.

1987-01-01

A new technique, based on virtual backpointers, for local concurrent error detection and correction in linked data structures is presented. Two new data structures, the Virtual Double Linked List, and the B-tree with Virtual Backpointers, are described. For these structures, double errors can be detected in 0(1) time and errors detected during forward moves can be corrected in 0(1) time. The application of a concurrent auditor process to data structure error detection and correction is analyzed, and an implementation is described, to determine the effect on mean time to failure of a multi-user shared database system. The implementation utilizes a Sequent shared memory multiprocessor system operating on a shared databased of Virtual Double Linked Lists.

Architecture engineering toward highly active palladium integrated titanium dioxide yolk-double-shell nanoreactor for catalytic applications.

PubMed

Liu, Baocang; Wang, Qin; Yu, Shengli; Jing, Peng; Liu, Lixia; Xu, Guangran; Zhang, Jun

2014-10-21

Rational design of the hierarchical architecture of a material with well controlled functionality is crucially important for improving its properties. In this paper, we present the general strategies for rationally designing and constructing three types of hierarchical Pd integrated TiO2 double-shell architectures, i.e. yolk-double-shell TiO2 architecture (Pd@TiO2/Pd@TiO2) with yolk-type Pd nanoparticles residing inside the central cavity of the hollow TiO2 structure; ultrafine Pd nanoparticles homogenously dispersed on both the external and internal surfaces of the inner TiO2 shell; and double-shell TiO2 architecture (@TiO2/Pd@TiO2) with Pd nanoparticles solely loaded on the external surface of the inner TiO2 shell, and double-shell TiO2 architecture (@TiO2@Pd@TiO2) with Pd nanoparticles dispersed in the interlayer space of double TiO2 shells, via newly developed Pd(2+) ion-diffusion and Pd sol impregnation methodologies. These architectures are well controlled in structure, size, morphology, and configuration with Pd nanoparticles existing in various locations. Owing to the variable synergistic effects arising from the location discrepancies of Pd nanoparticle in the architectures, they exhibit remarkable variations in catalytic activity. In particular, different from previously reported yolk-shell structures, the obtained yolk-double-shell Pd@TiO2/Pd@TiO2 architecture, which is revealed for the first time, possesses a uniform hierarchical structure, narrow size distribution, and good monodispersibility, and it creates two Pd-TiO2 interfaces on the external and internal surfaces of the inner TiO2 shell, leading to the strongest synergistic effect of Pd nanoparticles with TiO2 shell. Furthermore, the interlayer chamber between the double TiO2 shells connecting with the central cavity of the hollow TiO2 structure through the mesoporous TiO2 wall forms a nanoreactor for enriching the reactants and preventing the deletion of Pd nanoparticles during the reaction, thus greatly accelerating the reaction speed. Owing to its structural features, yolk-double-shell Pd@TiO2/Pd@TiO2 architecture exhibits extremely high catalytic performance on the Suzuki-Miyaura coupling reaction. The synthetic methodologies are robust for fabricating double-shell architectures with various configurations for applications such as in catalysis, drug delivery, and medicine release. The obtained double-shell architectures may be used as novel catalyst systems with highly efficient catalytic performance for other catalytic reactions.

Detecting double compressed MPEG videos with the same quantization matrix and synchronized group of pictures structure

NASA Astrophysics Data System (ADS)

Aghamaleki, Javad Abbasi; Behrad, Alireza

2018-01-01

Double compression detection is a crucial stage in digital image and video forensics. However, the detection of double compressed videos is challenging when the video forger uses the same quantization matrix and synchronized group of pictures (GOP) structure during the recompression history to conceal tampering effects. A passive approach is proposed for detecting double compressed MPEG videos with the same quantization matrix and synchronized GOP structure. To devise the proposed algorithm, the effects of recompression on P frames are mathematically studied. Then, based on the obtained guidelines, a feature vector is proposed to detect double compressed frames on the GOP level. Subsequently, sparse representations of the feature vectors are used for dimensionality reduction and enrich the traces of recompression. Finally, a support vector machine classifier is employed to detect and localize double compression in temporal domain. The experimental results show that the proposed algorithm achieves the accuracy of more than 95%. In addition, the comparisons of the results of the proposed method with those of other methods reveal the efficiency of the proposed algorithm.

Architecture engineering toward highly active palladium integrated titanium dioxide yolk-double-shell nanoreactor for catalytic applications

NASA Astrophysics Data System (ADS)

Liu, Baocang; Wang, Qin; Yu, Shengli; Jing, Peng; Liu, Lixia; Xu, Guangran; Zhang, Jun

2014-09-01

Rational design of the hierarchical architecture of a material with well controlled functionality is crucially important for improving its properties. In this paper, we present the general strategies for rationally designing and constructing three types of hierarchical Pd integrated TiO2 double-shell architectures, i.e. yolk-double-shell TiO2 architecture (Pd@TiO2/Pd@TiO2) with yolk-type Pd nanoparticles residing inside the central cavity of the hollow TiO2 structure; ultrafine Pd nanoparticles homogenously dispersed on both the external and internal surfaces of the inner TiO2 shell; and double-shell TiO2 architecture (@TiO2/Pd@TiO2) with Pd nanoparticles solely loaded on the external surface of the inner TiO2 shell, and double-shell TiO2 architecture (@TiO2@Pd@TiO2) with Pd nanoparticles dispersed in the interlayer space of double TiO2 shells, via newly developed Pd2+ ion-diffusion and Pd sol impregnation methodologies. These architectures are well controlled in structure, size, morphology, and configuration with Pd nanoparticles existing in various locations. Owing to the variable synergistic effects arising from the location discrepancies of Pd nanoparticle in the architectures, they exhibit remarkable variations in catalytic activity. In particular, different from previously reported yolk-shell structures, the obtained yolk-double-shell Pd@TiO2/Pd@TiO2 architecture, which is revealed for the first time, possesses a uniform hierarchical structure, narrow size distribution, and good monodispersibility, and it creates two Pd-TiO2 interfaces on the external and internal surfaces of the inner TiO2 shell, leading to the strongest synergistic effect of Pd nanoparticles with TiO2 shell. Furthermore, the interlayer chamber between the double TiO2 shells connecting with the central cavity of the hollow TiO2 structure through the mesoporous TiO2 wall forms a nanoreactor for enriching the reactants and preventing the deletion of Pd nanoparticles during the reaction, thus greatly accelerating the reaction speed. Owing to its structural features, yolk-double-shell Pd@TiO2/Pd@TiO2 architecture exhibits extremely high catalytic performance on the Suzuki-Miyaura coupling reaction. The synthetic methodologies are robust for fabricating double-shell architectures with various configurations for applications such as in catalysis, drug delivery, and medicine release. The obtained double-shell architectures may be used as novel catalyst systems with highly efficient catalytic performance for other catalytic reactions.Rational design of the hierarchical architecture of a material with well controlled functionality is crucially important for improving its properties. In this paper, we present the general strategies for rationally designing and constructing three types of hierarchical Pd integrated TiO2 double-shell architectures, i.e. yolk-double-shell TiO2 architecture (Pd@TiO2/Pd@TiO2) with yolk-type Pd nanoparticles residing inside the central cavity of the hollow TiO2 structure; ultrafine Pd nanoparticles homogenously dispersed on both the external and internal surfaces of the inner TiO2 shell; and double-shell TiO2 architecture (@TiO2/Pd@TiO2) with Pd nanoparticles solely loaded on the external surface of the inner TiO2 shell, and double-shell TiO2 architecture (@TiO2@Pd@TiO2) with Pd nanoparticles dispersed in the interlayer space of double TiO2 shells, via newly developed Pd2+ ion-diffusion and Pd sol impregnation methodologies. These architectures are well controlled in structure, size, morphology, and configuration with Pd nanoparticles existing in various locations. Owing to the variable synergistic effects arising from the location discrepancies of Pd nanoparticle in the architectures, they exhibit remarkable variations in catalytic activity. In particular, different from previously reported yolk-shell structures, the obtained yolk-double-shell Pd@TiO2/Pd@TiO2 architecture, which is revealed for the first time, possesses a uniform hierarchical structure, narrow size distribution, and good monodispersibility, and it creates two Pd-TiO2 interfaces on the external and internal surfaces of the inner TiO2 shell, leading to the strongest synergistic effect of Pd nanoparticles with TiO2 shell. Furthermore, the interlayer chamber between the double TiO2 shells connecting with the central cavity of the hollow TiO2 structure through the mesoporous TiO2 wall forms a nanoreactor for enriching the reactants and preventing the deletion of Pd nanoparticles during the reaction, thus greatly accelerating the reaction speed. Owing to its structural features, yolk-double-shell Pd@TiO2/Pd@TiO2 architecture exhibits extremely high catalytic performance on the Suzuki-Miyaura coupling reaction. The synthetic methodologies are robust for fabricating double-shell architectures with various configurations for applications such as in catalysis, drug delivery, and medicine release. The obtained double-shell architectures may be used as novel catalyst systems with highly efficient catalytic performance for other catalytic reactions. Electronic supplementary information (ESI) available: Synthetic schemes, TEM, SEM, XRD, FTIR, UV-DRS spectra, TPR, and catalytic data. See DOI: 10.1039/c4nr02692f

HgCdTe barrier infrared detectors

NASA Astrophysics Data System (ADS)

Kopytko, M.; Rogalski, A.

2016-05-01

In the last decade, new strategies to achieve high-operating temperature (HOT) detectors have been proposed, including barrier structures such as nBn devices, unipolar barrier photodiodes, and multistage (cascade) infrared detectors. The ability to tune the positions of the conduction and valence band edges independently in a broken-gap type-II superlattices is especially helpful in the design of unipolar barriers. This idea has been also implemented in HgCdTe ternary material system. However, the implementation of this detector structure in HgCdTe material system is not straightforward due to the existence of a valence band discontinuity (barrier) at the absorber-barrier interface. In this paper we present status of HgCdTe barrier detectors with emphasis on technological progress in fabrication of MOCVD-grown HgCdTe barrier detectors achieved recently at the Institute of Applied Physics, Military University of Technology. Their performance is comparable with state-of-the-art of HgCdTe photodiodes. From the perspective of device fabrication their important technological advantage results from less stringent surface passivation requirements and tolerance to threading dislocations.

Transverse analysis and field measurements for segmental box girders wings : final report, December 2008.

DOT National Transportation Integrated Search

2008-12-01

Parapets placed on bridge deck surfaces, commonly known as barriers are purposes omitted from the structural analysis model for design or load rating. Barriers should not be considered primary structural members because they are designed to withstand...

Development of a 3D finite element acoustic model to predict the sound reduction index of stud based double-leaf walls

NASA Astrophysics Data System (ADS)

Arjunan, A.; Wang, C. J.; Yahiaoui, K.; Mynors, D. J.; Morgan, T.; Nguyen, V. B.; English, M.

2014-11-01

Building standards incorporating quantitative acoustical criteria to ensure adequate sound insulation are now being implemented. Engineers are making great efforts to design acoustically efficient double-wall structures. Accordingly, efficient simulation models to predict the acoustic insulation of double-leaf wall structures are needed. This paper presents the development of a numerical tool that can predict the frequency dependent sound reduction index R of stud based double-leaf walls at one-third-octave band frequency range. A fully vibro-acoustic 3D model consisting of two rooms partitioned using a double-leaf wall, considering the structure and acoustic fluid coupling incorporating the existing fluid and structural solvers are presented. The validity of the finite element (FE) model is assessed by comparison with experimental test results carried out in a certified laboratory. Accurate representation of the structural damping matrix to effectively predict the R values are studied. The possibilities of minimising the simulation time using a frequency dependent mesh model was also investigated. The FEA model presented in this work is capable of predicting the weighted sound reduction index Rw along with A-weighted pink noise C and A-weighted urban noise Ctr within an error of 1 dB. The model developed can also be used to analyse the acoustically induced frequency dependent geometrical behaviour of the double-leaf wall components to optimise them for best acoustic performance. The FE modelling procedure reported in this paper can be extended to other building components undergoing fluid-structure interaction (FSI) to evaluate their acoustic insulation.

Electronic structure of sputter deposited MgO(100) tunnel barriers in magnetic tunnel junction structures exhibiting giant tunneling magnetoresistance

NASA Astrophysics Data System (ADS)

Yang, See-Hun; Samant, Mahesh; Parkin, Stuart

2007-03-01

Giant tunneling magnetoresistance (TMR) in magnetic tunnel junctions formed with crystalline MgO tunnel barriers [1] have potential applications in a wide variety of spintronic devices. However, the relationship of the TMR to the detailed chemical and electronic structure of the MgO barrier and its interfaces with the ferromagnetic electrodes is not yet fully understood. We have carried out valence band photoemission spectroscopy and x-ray absorption spectroscopy to characterize the chemical state and electronic structure of sputter deposited, highly oriented, MgO (001) barriers and its interfaces with ferromagnetic electrodes. A large band gap of ˜7.5 eV is found even for ultrathin MgO layers. This is consistent with barrier heights found from fitting current versus voltage curves providing that very small effective electron masses are used. We discuss the role of thin Mg interface layers that we have used to reduce oxidation of the underlying ferromagnetic layer during the MgO layer formation [1]. [1] S. S. P. Parkin, C. Kaiser, A. Panchula, P. M. Rice, B. Hughes, M. Samant, S.-H. Yang, Nature Materials 3, 862 (2004).

Rocket Motor Joint Construction Including Thermal Barrier

NASA Technical Reports Server (NTRS)

Steinetz, Bruce M. (Inventor); Dunlap, Patrick H., Jr. (Inventor)

2002-01-01

A thermal barrier for extremely high temperature applications consists of a carbon fiber core and one or more layers of braided carbon fibers surrounding the core. The thermal barrier is preferably a large diameter ring, having a relatively small cross-section. The thermal barrier is particularly suited for use as part of a joint structure in solid rocket motor casings to protect low temperature elements such as the primary and secondary elastomeric O-ring seals therein from high temperature gases of the rocket motor. The thermal barrier exhibits adequate porosity to allow pressure to reach the radially outward disposed O-ring seals allowing them to seat and perform the primary sealing function. The thermal barrier is disposed in a cavity or groove in the casing joint, between the hot propulsion gases interior of the rocket motor and primary and secondary O-ring seals. The characteristics of the thermal barrier may be enhanced in different applications by the inclusion of certain compounds in the casing joint, by the inclusion of RTV sealant or similar materials at the site of the thermal barrier, and/or by the incorporation of a metal core or plurality of metal braids within the carbon braid in the thermal barrier structure.

Design and analysis of the Collider SPXA/SPRA spool piece vacuum barrier

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

Cruse, G.; Aksel, G.

1993-04-01

A design for the Collider SPXA/SPRA spool piece vacuum barrier was developed to meet a variety of thermal and structural performance requirements. Both composite and stainless steel alternatives were investigated using detailed finite-element analysis before selecting an optimized version of the ASST SPR spool vacuum barrier design. This design meets the structural requirements and will be able to meet the thermal performance requirements by using some newer thermal strapping configurations.

Characterization of the Minimum Energy Paths and Energetics for the Reaction of Vinylidene with Acetylene

NASA Technical Reports Server (NTRS)

Walch, Stephen P.; Taylor, Peter R.

1995-01-01

The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinyl-acetylene and for a number of isomers of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinyl-acetylene.

Characterization of the Minimum Energy Paths and Energetics for the reaction of Vinylidene with Acetylene

NASA Technical Reports Server (NTRS)

Walch, Stephen P.; Taylor, Peter R.

1995-01-01

The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinylacetylene and for a number of isomers Of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinylacetylene.