WorldWideScience

Sample records for vanishing surface density

  1. BULK THERMODYNAMICS AND CHARGE FLUCTUATIONS AT NON-VANISHING BARYON DENSITY

    International Nuclear Information System (INIS)

    MIAO, C.; SCHMIDT, C.

    2007-01-01

    We present results on bulk thermodynamic quantities as well as net baryon number, strangeness and electric charge fluctuations in QCD at non-zero density and temperature obtained from lattice calculations with almost physical quark masses for two values of the lattice cut-off aT = 1/4 and 1/6. We show that with our improved p4fa3-action the cut-off effects are under control when using lattices with a temporal extent of 6 or larger and that the contribution to the equation of state, which is due to a finite chemical potential is small for μ q /T < 1. Moreover, at vanishing chemical potential, i.e. under conditions almost realized at RHIC and the LHC, quartic fluctuations of net baryon number and strangeness are large in a narrow temperature interval characterizing the transition region from the low to high temperature phase. At non-zero baryon number density, strangeness fluctuations are enhanced and correlated to fluctuations of the net baryon number. If strangeness is furthermore forced to vanish, as it may be the case in systems created in heavy ion collisions, strangeness fluctuations are significantly smaller than baryon number fluctuations

  2. Natural occupation numbers: When do they vanish?

    NARCIS (Netherlands)

    Giesbertz, K.J.H.; Van Leeuwen, R.

    The non-vanishing of the natural orbital (NO) occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix-potential mapping for nonlocal potentials in reduced density matrix functional theory and for the validity of the

  3. On vanishing of vacuum energy for superstrings

    International Nuclear Information System (INIS)

    Morozov, A.; Perelomov, A.

    1986-01-01

    Hypothesis, concerning the structure of formulae for vacuum diagrams in the first-quantized superstring theory is proposed. The analytical measure in the integration over moduli space is proportional to the sum over spin structures on Riemann surfaces and vanishes because of the Riemann identities for Θ-constants

  4. Super-mercuryphobic and hydrophobic diamond surfaces with hierarchical structures: Vanishment of the contact angle hysteresis with mercury

    International Nuclear Information System (INIS)

    Escobar, Juan V.; Garza, Cristina; Alonso, Juan Carlos; Castillo, Rolando

    2013-01-01

    Increased roughness is known to enhance the natural wetting properties of surfaces, making them either more hydrophobic or more hydrophilic. In this work we study the wetting properties of water and mercury drops in contact with boron doped diamond films with progressively increased surface roughnesses. We show how thermal oxidation of a microcrystalline film creates pyramids decorated with sub-micron protrusions that turn its naturally mercuryphobic surface into super-mercuryphobic. With this liquid, we observe the vanishment of the contact angle hysteresis that is expected for rough surfaces as the contact angle approaches 180, making small drops of mercury roll along out of the surface at an apparent zero tilt-angle. In contrast, the incorporation of nano-globules on the oxidized surface through a silanization process is necessary to increase the hydrophobic properties of the film for which the contact angle with water reaches 138°. The wetting states that dominate in each case are discussed.

  5. Super-mercuryphobic and hydrophobic diamond surfaces with hierarchical structures: Vanishment of the contact angle hysteresis with mercury

    Energy Technology Data Exchange (ETDEWEB)

    Escobar, Juan V., E-mail: escobar@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, PO Box 20-364, DF, México, 01000 (Mexico); Garza, Cristina, E-mail: cgarza@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, PO Box 20-364, DF, México, 01000 (Mexico); Alonso, Juan Carlos, E-mail: alonso@unam.mx [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, PO Box 70-360, DF, México, 04510 (Mexico); Castillo, Rolando, E-mail: rolandoc@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, PO Box 20-364, DF, México, 01000 (Mexico)

    2013-05-15

    Increased roughness is known to enhance the natural wetting properties of surfaces, making them either more hydrophobic or more hydrophilic. In this work we study the wetting properties of water and mercury drops in contact with boron doped diamond films with progressively increased surface roughnesses. We show how thermal oxidation of a microcrystalline film creates pyramids decorated with sub-micron protrusions that turn its naturally mercuryphobic surface into super-mercuryphobic. With this liquid, we observe the vanishment of the contact angle hysteresis that is expected for rough surfaces as the contact angle approaches 180, making small drops of mercury roll along out of the surface at an apparent zero tilt-angle. In contrast, the incorporation of nano-globules on the oxidized surface through a silanization process is necessary to increase the hydrophobic properties of the film for which the contact angle with water reaches 138°. The wetting states that dominate in each case are discussed.

  6. Anti-levitation of Landau levels in vanishing magnetic fields

    Science.gov (United States)

    Pan, W.; Baldwin, K. W.; West, K. W.; Pfeiffer, L. N.; Tsui, D. C.

    Soon after the discovery of the quantum Hall effects in two-dimensional electron systems, the question on the fate of the extended states in a Landau level in vanishing magnetic (B) field arose. Many theoretical models have since been proposed, and experimental results remain inconclusive. In this talk, we report experimental observation of anti-levitation behavior of Landau levels in vanishing B fields (down to as low as B 58 mT) in a high quality heterojunction insulated-gated field-effect transistor (HIGFET). We observed that, in the Landau fan diagram of electron density versus magnetic field, the positions of the magneto-resistance minima at Landau level fillings ν = 4, 5, 6 move below the ``traditional'' Landau level line to lower electron densities. This clearly differs from what was observed in the earlier experiments where in the same Landau fan plot the density moved up. Our result strongly supports the anti-levitation behavior predicted recently. Moreover, the even and odd Landau level filling states show quantitatively different behaviors in anti-levitation, suggesting that the exchange interactions, which are important at odd fillings, may play a role. SNL is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.

  7. The effects of size, clutter, and complexity on vanishing-point distances in visual imagery.

    Science.gov (United States)

    Hubbard, T L; Baird, J C

    1993-01-01

    The portrayal of vanishing-point distances in visual imagery was examined in six experiments. In all experiments, subjects formed visual images of squares, and the squares were to be oriented orthogonally to subjects' line of sight. The squares differed in their level of surface complexity, and were either undivided, divided into 4 equally sized smaller squares, or divided into 16 equally sized smaller squares. Squares also differed in stated referent size, and ranged from 3 in. to 128 ft along each side. After subjects had formed an image of a specified square, they transformed their image so that the square was portrayed to move away from them. Eventually, the imaged square was portrayed to be so far away that if it were any further away, it could not be identified. Subjects estimated the distance to the square that was portrayed in their image at that time, the vanishing-point distance, and the relationship between stated referent size and imaged vanishing-point distance was best described by a power function with an exponent less than 1. In general, there were trends for exponents (slopes on log axes) to increase slightly and for multiplicative constants (y intercepts on log axes) to decrease as surface complexity increased. No differences in exponents or in multiplicative constants were found when the vanishing-point was approached from either subthreshold or suprathreshold directions. When clutter in the form of additional imaged objects located to either side of the primary imaged object was added to the image, the exponent of the vanishing-point function increased slightly and the multiplicative constant decreased. The success of a power function (and the failure of the size-distance invariance hypothesis) in describing the vanishing-point distance function calls into question the notions (a) that a constant grain size exists in the imaginal visual field at a given location and (b) that grain size specifies a lower limit in the storage of information in

  8. Vanishing in Plain Sight

    Directory of Open Access Journals (Sweden)

    Williams, Grace Alexandra

    2014-12-01

    Full Text Available Playfully negotiating the historical constructs of theatrical vanishing and its disturbingly female trappings this paper centers on the creation of Bautier de Kolta’s l’Escamotage D’une Dame, an illusion used to screen the anxieties of the male British populous, irked by a buoyant surplus in unmarried, white, middle class women, in the late 1880s. Introducing texts such as W. R Greg’s Why are women Redundant? This paper makes ever more apparent the political, violent and sexual connotations of the female body in magical feats of performative disappearance. From the photographic curios of hidden mothers to the dark room of the séance, the conversation unfurls around the many forms of female vanishing, culminating in a discussion of the contemporary artwork Escamotage (Grace A Williams, 2015 that takes the Persian rug as both a motif of magical vanishing and a tool for the exposure of form. This paper was originally delivered as a performance from within a ‘Zig-Zag’ illusion box, in collaboration with artist David Cheeseman. The first critical analysis of women’s role within magical illusions, delivered by a female artist from within a magical prop that continues to dismember female bodies for entertainment in the contemporary magic market.

  9. NEW CONCEPTS AND TEST METHODS OF CURVE PROFILE AREA DENSITY IN SURFACE: ESTIMATION OF AREAL DENSITY ON CURVED SPATIAL SURFACE

    OpenAIRE

    Hong Shen

    2011-01-01

    The concepts of curve profile, curve intercept, curve intercept density, curve profile area density, intersection density in containing intersection (or intersection density relied on intersection reference), curve profile intersection density in surface (or curve intercept intersection density relied on intersection of containing curve), and curve profile area density in surface (AS) were defined. AS expressed the amount of curve profile area of Y phase in the unit containing surface area, S...

  10. Method of measuring surface density

    International Nuclear Information System (INIS)

    Gregor, J.

    1982-01-01

    A method is described of measuring surface density or thickness, preferably of coating layers, using radiation emitted by a suitable radionuclide, e.g., 241 Am. The radiation impinges on the measured material, e.g., a copper foil and in dependence on its surface density or thickness part of the flux of impinging radiation is reflected and part penetrates through the material. The radiation which has penetrated through the material excites in a replaceable adjustable backing characteristic radiation of an energy close to that of the impinging radiation (within +-30 keV). Part of the flux of the characteristic radiation spreads back to the detector, penetrates through the material in which in dependence on surface density or thickness of the coating layer it is partly absorbed. The flux of the penetrated characteristic radiation impinging on the face of the detector is a function of surface density or thickness. Only that part of the energy is evaluated of the energy spectrum which corresponds to the energy of characteristic radiation. (B.S.)

  11. Density and surface tension of ionic liquids.

    Science.gov (United States)

    Kolbeck, C; Lehmann, J; Lovelock, K R J; Cremer, T; Paape, N; Wasserscheid, P; Fröba, A P; Maier, F; Steinrück, H-P

    2010-12-30

    We measured the density and surface tension of 9 bis[(trifluoromethyl)sulfonyl]imide ([Tf(2)N](-))-based and 12 1-methyl-3-octylimidazolium ([C(8)C(1)Im](+))-based ionic liquids (ILs) with the vibrating tube and the pendant drop method, respectively. This comprehensive set of ILs was chosen to probe the influence of the cations and anions on density and surface tension. When the alkyl chain length in the [C(n)C(1)Im][Tf(2)N] series (n = 1, 2, 4, 6, 8, 10, 12) is increased, a decrease in density is observed. The surface tension initially also decreases but reaches a plateau for alkyl chain lengths greater than n = 8. Functionalizing the alkyl chains with ethylene glycol groups results in a higher density as well as a higher surface tension. For the dependence of density and surface tension on the chemical nature of the anion, relations are only found for subgroups of the studied ILs. Density and surface tension values are discussed with respect to intermolecular interactions and surface composition as determined by angle-resolved X-ray photoelectron spectroscopy (ARXPS). The absence of nonvolatile surface-active contaminants was proven by ARXPS.

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

    Science.gov (United States)

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

    2017-07-01

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

  13. Multi-lane detection based on multiple vanishing points detection

    Science.gov (United States)

    Li, Chuanxiang; Nie, Yiming; Dai, Bin; Wu, Tao

    2015-03-01

    Lane detection plays a significant role in Advanced Driver Assistance Systems (ADAS) for intelligent vehicles. In this paper we present a multi-lane detection method based on multiple vanishing points detection. A new multi-lane model assumes that a single lane, which has two approximately parallel boundaries, may not parallel to others on road plane. Non-parallel lanes associate with different vanishing points. A biological plausibility model is used to detect multiple vanishing points and fit lane model. Experimental results show that the proposed method can detect both parallel lanes and non-parallel lanes.

  14. On vanishing two loop cosmological constants in nonsupersymmetric strings

    International Nuclear Information System (INIS)

    Kachru, Shamit; Silverstein, Eva

    1998-01-01

    It has recently been suggested that in certain special nonsupersymmetric type II string compactifications, at least the first two perturbative contributions to the cosmological constant Λ vanish. Support for perturbative vanishing beyond 1-loop (as well as evidence for the absence of some nonperturbative contributions) has come from duality arguments. There was also a direct 2-loop computation which was incomplete; in this note we explain the deficiency of the previous 2-loop calculation and discuss the complete 2-loop computation in two different models. The corrected analysis yields a vanishing 2-loop contribution to Λ in these models

  15. On Vanishing Two Loop Cosmological Constants in Nonsupersymmetric Strings

    Energy Technology Data Exchange (ETDEWEB)

    Kachru, S

    1998-10-22

    It has recently been suggested that in certain special nonsupersymmetric type II string compactifications, at least the first two perturbative contributions to the cosmological constant Lambda vanish. Support for perturbative vanishing beyond 1-loop (as well as evidence for the absence of some nonperturbative contributions) has come from duality arguments. There was also a direct 2-loop computation which was incomplete; in this note we explain the deficiency of the previous 2-loop calculation and discuss the complete 2-loop computation in two different models. The corrected analysis yields a vanishing 2-loop contribution to Lambda in these models.

  16. ERROR DISTRIBUTION EVALUATION OF THE THIRD VANISHING POINT BASED ON RANDOM STATISTICAL SIMULATION

    Directory of Open Access Journals (Sweden)

    C. Li

    2012-07-01

    Full Text Available POS, integrated by GPS / INS (Inertial Navigation Systems, has allowed rapid and accurate determination of position and attitude of remote sensing equipment for MMS (Mobile Mapping Systems. However, not only does INS have system error, but also it is very expensive. Therefore, in this paper error distributions of vanishing points are studied and tested in order to substitute INS for MMS in some special land-based scene, such as ground façade where usually only two vanishing points can be detected. Thus, the traditional calibration approach based on three orthogonal vanishing points is being challenged. In this article, firstly, the line clusters, which parallel to each others in object space and correspond to the vanishing points, are detected based on RANSAC (Random Sample Consensus and parallelism geometric constraint. Secondly, condition adjustment with parameters is utilized to estimate nonlinear error equations of two vanishing points (VX, VY. How to set initial weights for the adjustment solution of single image vanishing points is presented. Solving vanishing points and estimating their error distributions base on iteration method with variable weights, co-factor matrix and error ellipse theory. Thirdly, under the condition of known error ellipses of two vanishing points (VX, VY and on the basis of the triangle geometric relationship of three vanishing points, the error distribution of the third vanishing point (VZ is calculated and evaluated by random statistical simulation with ignoring camera distortion. Moreover, Monte Carlo methods utilized for random statistical estimation are presented. Finally, experimental results of vanishing points coordinate and their error distributions are shown and analyzed.

  17. Error Distribution Evaluation of the Third Vanishing Point Based on Random Statistical Simulation

    Science.gov (United States)

    Li, C.

    2012-07-01

    POS, integrated by GPS / INS (Inertial Navigation Systems), has allowed rapid and accurate determination of position and attitude of remote sensing equipment for MMS (Mobile Mapping Systems). However, not only does INS have system error, but also it is very expensive. Therefore, in this paper error distributions of vanishing points are studied and tested in order to substitute INS for MMS in some special land-based scene, such as ground façade where usually only two vanishing points can be detected. Thus, the traditional calibration approach based on three orthogonal vanishing points is being challenged. In this article, firstly, the line clusters, which parallel to each others in object space and correspond to the vanishing points, are detected based on RANSAC (Random Sample Consensus) and parallelism geometric constraint. Secondly, condition adjustment with parameters is utilized to estimate nonlinear error equations of two vanishing points (VX, VY). How to set initial weights for the adjustment solution of single image vanishing points is presented. Solving vanishing points and estimating their error distributions base on iteration method with variable weights, co-factor matrix and error ellipse theory. Thirdly, under the condition of known error ellipses of two vanishing points (VX, VY) and on the basis of the triangle geometric relationship of three vanishing points, the error distribution of the third vanishing point (VZ) is calculated and evaluated by random statistical simulation with ignoring camera distortion. Moreover, Monte Carlo methods utilized for random statistical estimation are presented. Finally, experimental results of vanishing points coordinate and their error distributions are shown and analyzed.

  18. A general vanishing theorem

    Indian Academy of Sciences (India)

    Abstract. Let E be a vector bundle and L be a line bundle over a smooth projective variety X. In this article, we give a condition for the vanishing of Dolbeault cohomology groups of the form H p,q when Sα+β E ⊗ L is ample. This condition is shown to be invariant under the interchange of p and q. The optimality of.

  19. Surface current density K: an introduction

    DEFF Research Database (Denmark)

    McAllister, Iain Wilson

    1991-01-01

    The author discusses the vector surface of current density K used in electrical insulation studies. K is related to the vector tangential electric field Kt at the surface of a body by the vector equation K=ΓE t where Γ represents the surface conductivity. The author derives a surface continuity...

  20. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav

    2011-11-28

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  1. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.

    2011-01-01

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  2. When Dijkstra Meets Vanishing Point: A Stereo Vision Approach for Road Detection.

    Science.gov (United States)

    Zhang, Yigong; Su, Yingna; Yang, Jian; Ponce, Jean; Kong, Hui

    2018-05-01

    In this paper, we propose a vanishing-point constrained Dijkstra road model for road detection in a stereo-vision paradigm. First, the stereo-camera is used to generate the u- and v-disparity maps of road image, from which the horizon can be extracted. With the horizon and ground region constraints, we can robustly locate the vanishing point of road region. Second, a weighted graph is constructed using all pixels of the image, and the detected vanishing point is treated as the source node of the graph. By computing a vanishing-point constrained Dijkstra minimum-cost map, where both disparity and gradient of gray image are used to calculate cost between two neighbor pixels, the problem of detecting road borders in image is transformed into that of finding two shortest paths that originate from the vanishing point to two pixels in the last row of image. The proposed approach has been implemented and tested over 2600 grayscale images of different road scenes in the KITTI data set. The experimental results demonstrate that this training-free approach can detect horizon, vanishing point, and road regions very accurately and robustly. It can achieve promising performance.

  3. Design of a projection display screen with vanishing color shift for rear-projection HDTV

    Science.gov (United States)

    Liu, Xiu; Zhu, Jin-lin

    1996-09-01

    Using bi-convex cylinder lens with matrix structure, the transmissive projection display screen with high contrast and wider viewing angle has been widely used in large rear projection TV and video projectors, it obtained a inhere color shift and puzzled the designer of display screen for RGB projection tube in-line adjustment. Based on the method of light beam racing, the general software of designing projection display screen has been developed and the computer model of vanishing color shift for rear projection HDTV has bee completed. This paper discussed the practical designing method to vanish the defect of color shift and mentioned the relations between the primary optical parameters of display screen and relative geometry sizes of lens' surface. The distributions of optical gain to viewing angle and the influences on engineering design are briefly analyzed.

  4. Moose models with vanishing S parameter

    International Nuclear Information System (INIS)

    Casalbuoni, R.; De Curtis, S.; Dominici, D.

    2004-01-01

    In the linear moose framework, which naturally emerges in deconstruction models, we show that there is a unique solution for the vanishing of the S parameter at the lowest order in the weak interactions. We consider an effective gauge theory based on K SU(2) gauge groups, K+1 chiral fields, and electroweak groups SU(2) L and U(1) Y at the ends of the chain of the moose. S vanishes when a link in the moose chain is cut. As a consequence one has to introduce a dynamical nonlocal field connecting the two ends of the moose. Then the model acquires an additional custodial symmetry which protects this result. We examine also the possibility of a strong suppression of S through an exponential behavior of the link couplings as suggested by the Randall Sundrum metric

  5. On the vanishing rate of smooth CR functions

    Directory of Open Access Journals (Sweden)

    Giuseppe Della Sala

    2014-01-01

    Full Text Available Let be a lineally convex hypersurface of ℂⁿ of finite type, 0∈. Then there exist non-trivial smooth CR functions on that are flat at 0, i.e. whose Taylor expansion about 0 vanishes identically. Our aim is to characterize the rate at which flat CR functions can decrease without vanishing identically. As it turns out, non-trivial CR functions cannot decay arbitrarily fast, and a possible way of expressing the critical rate is by comparison with a suitable exponential of the modulus of a local peak function.

  6. Vanishing viscosity limits of mixed hyperbolic–elliptic systems arising in multilayer channel flows

    International Nuclear Information System (INIS)

    Papaefthymiou, E S; Papageorgiou, D T

    2015-01-01

    This study considers the spatially periodic initial value problem of 2 × 2 quasi-linear parabolic systems in one space dimension having quadratic polynomial flux functions. These systems arise physically in the interfacial dynamics of viscous immiscible multilayer channel flows. The equations describe the spatiotemporal evolution of phase-separating interfaces with dissipation arising from surface tension (fourth-order) and/or stable stratification effects (second-order). A crucial mathematical aspect of these systems is the presence of mixed hyperbolic–elliptic flux functions that provide the only source of instability. The study concentrates on scaled spatially 2π-periodic solutions as the dissipation vanishes, and in particular the behaviour of such limits when generalized dissipation operators (spanning second to fourth-order) are considered. Extensive numerical computations and asymptotic analysis suggest that the existence (or not) of bounded vanishing viscosity solutions depends crucially on the structure of the flux function. In the absence of linear terms (i.e. homogeneous flux functions) the vanishing viscosity limit does not exist in the L ∞ -norm. On the other hand, if linear terms in the flux function are present the computations strongly suggest that the solutions exist and are bounded in the L ∞ -norm as the dissipation vanishes. It is found that the key mechanism that provides such boundedness centres on persistent spatiotemporal hyperbolic–elliptic transitions. Strikingly, as the dissipation decreases, the flux function becomes almost everywhere hyperbolic except on a fractal set of elliptic regions, whose dimension depends on the order of the regularized operator. Furthermore, the spatial structures of the emerging weak solutions are found to support an increasing number of discontinuities (measure-valued solutions) located in the vicinity of the fractally distributed elliptic regions. For the unscaled problem, such spatially

  7. Exact penalty results for mathematical programs with vanishing constraints

    Czech Academy of Sciences Publication Activity Database

    Hoheisel, T.; Kanzow, Ch.; Outrata, Jiří

    2010-01-01

    Roč. 72, č. 5 (2010), s. 2514-2526 ISSN 0362-546X R&D Projects: GA AV ČR IAA100750802 Institutional research plan: CEZ:AV0Z10750506 Keywords : Mathematical programs with vanishing constraints * Mathematical programs with equilibrium constraints * Exact penalization * Calmness * Subdifferential calculus * Limiting normal cone Subject RIV: BA - General Mathematics Impact factor: 1.279, year: 2010 http://library.utia.cas.cz/separaty/2010/MTR/outrata-exact penalty results for mathematical programs with vanishing constraints.pdf

  8. Vanishing theorems and effective results in algebraic geometry

    International Nuclear Information System (INIS)

    Demailly, J.P.; Goettsche, L.; Lazarsfeld, R.

    2001-01-01

    The School on Vanishing Theorems and Effective Results in Algebraic Geometry took place in ICTP, Trieste from 25 April 2000 to 12 May 2000. It was organized by J. P. Demailly (Universite de Grenoble I) and R. Lazarsfeld (University of Michigan). The main topics considered were vanishing theorems, multiplyer ideal sheaves and effective results in algebraic geometry, tight closure, geometry of higher dimensional projective and Kahler manifolds, hyperbolic algebraic varieties. The school consisted of two weeks of lectures and one week of conference. This volume contains the lecture notes of most of the lectures in the first two weeks

  9. Vanishing theorems and effective results in algebraic geometry

    Energy Technology Data Exchange (ETDEWEB)

    Demailly, J P [Universite de Grenoble (France); Goettsche, L [Abdus Salam International Centre for Theoretical Physics, Trieste (Italy); Lazarsfeld, R [University of Michigan (United States)

    2001-12-15

    The School on Vanishing Theorems and Effective Results in Algebraic Geometry took place in ICTP, Trieste from 25 April 2000 to 12 May 2000. It was organized by J. P. Demailly (Universite de Grenoble I) and R. Lazarsfeld (University of Michigan). The main topics considered were vanishing theorems, multiplyer ideal sheaves and effective results in algebraic geometry, tight closure, geometry of higher dimensional projective and Kahler manifolds, hyperbolic algebraic varieties. The school consisted of two weeks of lectures and one week of conference. This volume contains the lecture notes of most of the lectures in the first two weeks.

  10. Emergent gravity from vanishing energy-momentum tensor

    Energy Technology Data Exchange (ETDEWEB)

    Carone, Christopher D.; Erlich, Joshua [High Energy Theory Group, Department of Physics, College of William and Mary,Williamsburg, VA 23187-8795 (United States); Vaman, Diana [Department of Physics, University of Virginia,Box 400714, Charlottesville, VA 22904 (United States)

    2017-03-27

    A constraint of vanishing energy-momentum tensor is motivated by a variety of perspectives on quantum gravity. We demonstrate in a concrete example how this constraint leads to a metric-independent theory in which quantum gravity emerges as a nonperturbative artifact of regularization-scale physics. We analyze a scalar theory similar to the Dirac-Born-Infeld (DBI) theory with vanishing gauge fields, with the DBI Lagrangian modulated by a scalar potential. In the limit of a large number of scalars, we explicitly demonstrate the existence of a composite massless spin-2 graviton in the spectrum that couples to matter as in Einstein gravity. We comment on the cosmological constant problem and the generalization to theories with fermions and gauge fields.

  11. Vanishing cosmological constant in elementary particles theory

    International Nuclear Information System (INIS)

    Pisano, F.; Tonasse, M.D.

    1997-01-01

    The quest of a vanishing cosmological constant is considered in the simplest anomaly-free chiral gauge extension of the electroweak standard model where the new physics is limited to a well defined additional flavordynamics above the Fermi scale, namely up to a few TeVs by matching the gauge coupling constants at the electroweak scale, and with an extended Higgs structure. In contrast to the electroweak standard model, it is shown how the extended scalar sector of the theory allows a vanishing or a very small cosmological constant. the details of the cancellation mechanism are presented. At accessible energies the theory is indistinguishable from the standard model of elementary particles and it is in agreement with all existing data. (author). 32 refs

  12. Emergent gravity from vanishing energy-momentum tensor

    International Nuclear Information System (INIS)

    Carone, Christopher D.; Erlich, Joshua; Vaman, Diana

    2017-01-01

    A constraint of vanishing energy-momentum tensor is motivated by a variety of perspectives on quantum gravity. We demonstrate in a concrete example how this constraint leads to a metric-independent theory in which quantum gravity emerges as a nonperturbative artifact of regularization-scale physics. We analyze a scalar theory similar to the Dirac-Born-Infeld (DBI) theory with vanishing gauge fields, with the DBI Lagrangian modulated by a scalar potential. In the limit of a large number of scalars, we explicitly demonstrate the existence of a composite massless spin-2 graviton in the spectrum that couples to matter as in Einstein gravity. We comment on the cosmological constant problem and the generalization to theories with fermions and gauge fields.

  13. Boundary layers and the vanishing viscosity limit for incompressible 2D flow

    OpenAIRE

    Filho, Milton C. Lopes

    2007-01-01

    This manuscript is a survey on results related to boundary layers and the vanishing viscosity limit for incompressible flow. It is the lecture notes for a 10 hour minicourse given at the Morningside Center, Academia Sinica, Beijing, PRC from 11/28 to 12/07, 2007. The main topics covered are: a derivation of Prandtl's boundary layer equation; an outline of the rigorous theory of Prandtl's equation, without proofs; Kato's criterion for the vanishing viscosity limit; the vanishing viscosity limi...

  14. Non-vanishing of Taylor coefficients and Poincaré series

    DEFF Research Database (Denmark)

    O'Sullivan, C.; Risager, Morten S.

    2013-01-01

    We prove recursive formulas for the Taylor coefficients of cusp forms, such as Ramanujan's Delta function, at points in the upper half-plane. This allows us to show the non-vanishing of all Taylor coefficients of Delta at CM points of small discriminant as well as the non-vanishing of certain...... Poincaré series. At a "generic" point, all Taylor coefficients are shown to be non-zero. Some conjectures on the Taylor coefficients of Delta at CM points are stated....

  15. Vanishing points detection using combination of fast Hough transform and deep learning

    Science.gov (United States)

    Sheshkus, Alexander; Ingacheva, Anastasia; Nikolaev, Dmitry

    2018-04-01

    In this paper we propose a novel method for vanishing points detection based on convolutional neural network (CNN) approach and fast Hough transform algorithm. We show how to determine fast Hough transform neural network layer and how to use it in order to increase usability of the neural network approach to the vanishing point detection task. Our algorithm includes CNN with consequence of convolutional and fast Hough transform layers. We are building estimator for distribution of possible vanishing points in the image. This distribution can be used to find candidates of vanishing point. We provide experimental results from tests of suggested method using images collected from videos of road trips. Our approach shows stable result on test images with different projective distortions and noise. Described approach can be effectively implemented for mobile GPU and CPU.

  16. Three theorems on near horizon extremal vanishing horizon geometries

    Directory of Open Access Journals (Sweden)

    S. Sadeghian

    2016-02-01

    Full Text Available EVH black holes are Extremal black holes with Vanishing Horizon area, where vanishing of horizon area is a result of having a vanishing one-cycle on the horizon. We prove three theorems regarding near horizon geometry of EVH black hole solutions to generic Einstein gravity theories in diverse dimensions. These generic gravity theories are Einstein–Maxwell-dilaton-Λ theories, and gauged or ungauged supergravity theories with U(1 Maxwell fields. Our three theorems are: (1 The near horizon geometry of any EVH black hole has a three dimensional maximally symmetric subspace. (2 If the energy momentum tensor of the theory satisfies strong energy condition either this 3d part is an AdS3, or the solution is a direct product of a locally 3d flat space and a d−3 dimensional part. (3 These results extend to the near horizon geometry of near-EVH black holes, for which the AdS3 part is replaced with BTZ geometry.

  17. Vanishing embryo syndrome’ in IVF/ICSI

    DEFF Research Database (Denmark)

    Hvidtjørn, Dorte; Grove, Jakob; Schendel, Diana

    2005-01-01

    BACKGROUND: In a Danish population-based cohort study assessing the risk of cerebral palsy in children bornafter IVF, we made some interesting observations regarding ‘vanishing co-embryos’. METHODS andRESULTS: All live-born children born in Denmark from 1 January 1995 to 31 December 2000 were...... included inthis analysis. The children conceived by IVF/ICSI (9444) were identified through the IVF Register, the childrenconceived without IVF/ICSI (395 025) were identified through The Danish Medical Birth Register. Main outcomemeasure was the incidence of cerebral palsy. Within the IVF/ICSI children we...... found indications of an increasedrisk of cerebral palsy in those children resulting from pregnancies, where the number of embryos transferred washigher than the number of children born. CONCLUSIONS: The association between vanishing embryo syndromeand incidence of cerebral palsy following IVF requires...

  18. Molecular surface mesh generation by filtering electron density map.

    Science.gov (United States)

    Giard, Joachim; Macq, Benoît

    2010-01-01

    Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

  19. Molecular Surface Mesh Generation by Filtering Electron Density Map

    Directory of Open Access Journals (Sweden)

    Joachim Giard

    2010-01-01

    Full Text Available Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

  20. RZP 202 - a modular system for surface density measurement

    International Nuclear Information System (INIS)

    Severa, L.; Merinsky, J.

    The sensing element is an ionization chamber of the type that has maximum sensitivity to beta radiation of the used radionuclide ( 147 Pm, 85 Kr, 90 Sr- 90 Y) or to gamma radiation of radionuclide 241 Am. Collimation shields were developed for the said sources. Measurement of the ionization currents is made with an electrometer with a vibration capacitor. Invariable configuration is secured by a measuring arm. The modular units are of the CAMAC system design. The surface density meters measure deviations from the rated surface density. The scale for inputting surface density is linear. The configuration, functional continuity of the individual parts and the possibility of variant designs of surface density meters are described and the technical parameters of RZP 202 and its configuration and design are given

  1. Mangghuer Embroidery: A Vanishing Tradition

    OpenAIRE

    Aila Pullinen

    2015-01-01

    Aila Pullinen. 2015. Mangghuer Embroidery: A Vanishing Tradition IN Gerald Roche and CK Stuart (eds) Asian Highlands Perspectives 36: Mapping the Monguor, 178-188, 301-332. Visits were undertaken in the years 2001 and 2002 to Minhe Hui and Mangghuer (Tu) Autonomous County, Haidong Municipality, Qinghai Province, China to research and document Mangghuer embroidery. This research is summarized in terms of the history of Mangghuer embroidery, tools and materials, embroidery techniques, embr...

  2. Does low surface brightness mean low density?

    NARCIS (Netherlands)

    deBlok, WJG; McGaugh, SS

    1996-01-01

    We compare the dynamical properties of two galaxies at identical positions on the Tully-Fisher relation, but with different surface brightnesses. We find that the low surface brightness galaxy UGC 128 has a higher mass-to-light ratio, and yet has lower mass densities than the high surface brightness

  3. Tight closure and vanishing theorems

    International Nuclear Information System (INIS)

    Smith, K.E.

    2001-01-01

    Tight closure has become a thriving branch of commutative algebra since it was first introduced by Mel Hochster and Craig Huneke in 1986. Over the past few years, it has become increasingly clear that tight closure has deep connections with complex algebraic geometry as well, especially with those areas of algebraic geometry where vanishing theorems play a starring role. The purpose of these lectures is to introduce tight closure and to explain some of these connections with algebraic geometry. Tight closure is basically a technique for harnessing the power of the Frobenius map. The use of the Frobenius map to prove theorems about complex algebraic varieties is a familiar technique in algebraic geometry, so it should perhaps come as no surprise that tight closure is applicable to algebraic geometry. On the other hand, it seems that so far we are only seeing the tip of a large and very beautiful iceberg in terms of tight closure's interpretation and applications to algebraic geometry. Interestingly, although tight closure is a 'characteristic p' tool, many of the problems where tight closure has proved useful have also yielded to analytic (L2) techniques. Despite some striking parallels, there had been no specific result directly linking tight closure and L∼ techniques. Recently, however, the equivalence of an ideal central to the theory of tight closure was shown to be equivalent to a certain 'multiplier ideal' first defined using L2 methods. Presumably, deeper connections will continue to emerge. There are two main types of problems for which tight closure has been helpful: in identifying nice structure and in establishing uniform behavior. The original algebraic applications of tight closure include, for example, a quick proof of the Hochster-Roberts theorem on the Cohen-Macaulayness of rings of invariants, and also a refined version of the Brianqon-Skoda theorem on the uniform behaviour of integral closures of powers of ideals. More recent, geometric

  4. A density gradient theory based method for surface tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... that the optimal density path from the geometric mean density gradient theory passes the saddle point of the tangent plane distance to the bulk phases, we propose to estimate surface tension with an approximate density path profile that goes through this saddle point. The linear density gradient theory, which...... assumes linearly distributed densities between the two bulk phases, has also been investigated. Numerical problems do not occur with these density path profiles. These two approximation methods together with the full density gradient theory have been used to calculate the surface tension of various...

  5. Leukoencephalopathy With Vanishing White Matter: A Review

    NARCIS (Netherlands)

    Bugiani, M.; Boor, I.; Powers, J.M.; Scheper, G.C.; van der Knaap, M.S.

    2010-01-01

    Vanishing white matter (VWM) is one of the most prevalent inherited childhood leukoencephalopathies, but this may affect people ofall ages, including neonates and adults. It is a progressive disorder clinically dominated by cerebellar ataxia and in which minor stress conditions, such as fever or

  6. Leukoencephalopathy with vanishing white matter: a review

    NARCIS (Netherlands)

    Bugiani, Marianna; Boor, Ilja; Powers, James M.; Scheper, Gert C.; van der Knaap, Marjo S.

    2010-01-01

    Vanishing white matter (VWM) is one of the most prevalent inherited childhood leukoencephalopathies, but this may affect people of all ages, including neonates and adults. It is a progressive disorder clinically dominated by cerebellar ataxia and in which minor stress conditions, such as fever or

  7. Neutrino mass matrices with vanishing determinant

    International Nuclear Information System (INIS)

    Chauhan, Bhag C.; Pulido, Joao; Picariello, Marco

    2006-01-01

    We investigate the prospects for neutrinoless double beta decay, texture zeros. and equalities between neutrino mass matrix elements in scenarios with vanishing determinant mass matrices for vanishing and finite θ 13 mixing angles in normal and inverse mass hierarchies. For normal hierarchy and both zero and finite θ 13 it is found that neutrinoless double beta decay cannot be observed by any of the present or next generation experiments, while for inverse hierarchy it is, on the contrary, accessible to experiments. Regarding texture zeros and equalities between mass matrix elements, we find that in both normal and inverse hierarchies with θ 13 =0 no texture zeros nor any such equalities can exist apart from the obvious ones. For θ 13 ≠0 some texture zeros become possible. In normal hierarchy two texture zeros occur if 8.1x10 -2 ≤sinθ 13 ≤9.1x10 -2 while in inverse hierarchy three are possible, one with sinθ 13 ≥7x10 -3 and two others with sinθ 13 ≥0.18. All equalities between mass matrix elements are impossible with θ 13 ≠0

  8. 'Vanishing' structural effects of temperature in polymer glasses close to the glass-transition temperature

    International Nuclear Information System (INIS)

    Shantarovich, V.P.; Suzuki, T.; Ito, Y.; Yu, R.S.; Kondo, K.; Yampolskii, Yu. P.; Alentiev, A.Yu.

    2007-01-01

    Positron annihilation lifetime (PAL) measurements were used for observation of structural effects of temperature in polystyrene (PS), super-cross-linked polystyrene networks (CPS), and in polyimides (PI) below and in the vicinity of glass-transition temperature T g . 'Vanishing' of these structural effects in the repeating cycles of the temperature controlled PAL experiments due to the slow relaxation processes in different conditions and details of chemical structure is demonstrated. Obtained results illustrate complex, dependent on thermal history, inhomogeneous character of the glass structure. In fact, structure of some polymer glasses is changing continuously. Calculations of the number density of free volume holes in these conditions are discussed

  9. Vanishing twins: a predictor of small-for-gestational age in IVF singletons

    DEFF Research Database (Denmark)

    Pinborg, Anja; Lidegaard, Ojvind; Freiesleben, Nina la Cour

    2007-01-01

    The purpose of this study was to assess the effect of a vanishing twin on the risk of being small-for-gestational age (SGA) in in vitro fertilization (IVF) singletons.......The purpose of this study was to assess the effect of a vanishing twin on the risk of being small-for-gestational age (SGA) in in vitro fertilization (IVF) singletons....

  10. Near horizon structure of extremal vanishing horizon black holes

    Directory of Open Access Journals (Sweden)

    S. Sadeghian

    2015-11-01

    Full Text Available We study the near horizon structure of Extremal Vanishing Horizon (EVH black holes, extremal black holes with vanishing horizon area with a vanishing one-cycle on the horizon. We construct the most general near horizon EVH and near-EVH ansatz for the metric and other fields, like dilaton and gauge fields which may be present in the theory. We prove that (1 the near horizon EVH geometry for generic gravity theory in generic dimension has a three dimensional maximally symmetric subspace; (2 if the matter fields of the theory satisfy strong energy condition either this 3d part is AdS3, or the solution is a direct product of a locally 3d flat space and a d−3 dimensional part; (3 these results extend to the near horizon geometry of near-EVH black holes, for which the AdS3 part is replaced with BTZ geometry. We present some specific near horizon EVH geometries in 3, 4 and 5 dimensions for which there is a classification. We also briefly discuss implications of these generic results for generic (gauged supergravity theories and also for the thermodynamics of near-EVH black holes and the EVH/CFT proposal.

  11. Genetics Home Reference: leukoencephalopathy with vanishing white matter

    Science.gov (United States)

    ... Torres C, Pröschel C. EIF2B5 mutations compromise GFAP+ astrocyte generation in vanishing white matter leukodystrophy. Nat Med. ... of Medicine Lister Hill National Center for Biomedical Communications 8600 Rockville Pike, Bethesda, MD 20894, USA HONCode ...

  12. Ursodeoxycholic acid treatment of vanishing bile duct syndromes

    NARCIS (Netherlands)

    Pusl, Thomas; Beuers, Ulrich

    2006-01-01

    Vanishing bile duct syndromes (VBDS) are characterized by progressive loss of small intrahepatic ducts caused by a variety of different diseases leading to chronic cholestasis, cirrhosis, and premature death from liver failure. The majority of adult patients with VBDS suffer from primary biliary

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

    Science.gov (United States)

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

    2018-04-01

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

  14. Vanishing Ponds and Regional Water Resources in Taoyuan, Taiwan

    Directory of Open Access Journals (Sweden)

    Yuei-An Liou

    2015-01-01

    Full Text Available Taiwan has a Subtropic to Tropical climate, but its precipitation varies widely in response to seasonal effects and weather events such as Typhoon and Meiyu systems. Precipitation must be held back in reservoirs to provide and regulate sufficient water supply. Balancing the irregular precipitation and increasing water demands generates tremendous pressure on water resources management for the water stored in the Shihmen Reservoir, which is the major unitary water supply system in the Greater Taoyuan Area. Such pressure will be significantly enlarged due to the huge 17 billion USD Taoyuan Aerotropolis Project. In earlier days many small artificial ponds (a common terminology in this article, including irrigation ponds, fishery ponds and others, were built to cope with water shortages in Taoyuan County. These small storage ponds provided a solution that resolved seasonal precipitation shortages. Unfortunately, these ponds have been vanishing one after another one due to regional industrialization and urbanization in recent decades and less than 40% of them still remain today. There is great urgency and importance to investigating the link between vanishing ponds and water resources management. Remote sensing technology was used in this study to monitor the environmental consequences in the Taoyuan area by conducting multi-temporal analysis on the changes in water bodies, i.e., ponds. SPOT satellite images taken in 1993, 2003, and 2010 were utilized to analyze and assess the importance of small-scale ponds as water conservation facilities. It was found that, during the seventeen years from 1993 - 2010, the number of irrigation ponds decreased by 35.94%. These ponds can reduce the burden on the major reservoir and increase the water recycling rate if they are properly conserved. They can also improve rainfall interception and surface detention capabilities, and provide another planning advantage for regional water management.

  15. Effects of rational surface density on resistive g turbulence

    International Nuclear Information System (INIS)

    Beklemishev, A.D.; Sugama, H.; Horton, W.

    1993-01-01

    The Beklemishev-Horton theory states that the anomalous transport coefficient is proportional to the density of rational surfaces provided that the interaction between the modes localized around different rational surfaces is weak compared with modes of the same helicity. The authors examine the effects of the density of states ρ using resistive g turbulence in 2D (single-helicity) and 3D (multi-helicity) simulations. They find that the modes with different helicities do not equipartition the available energy, but rather the coalescence or inverse cascade effect is strong so that a few low order mode rational surfaces receive most of the energy. The quasilinear flattening at the surfaces is a strong effect and they use bifurcation theory to derive that the effective diffusivity increases as χ eff = χ 0 ρ/(1 - Cρ) where C is a constant determined by interaction integrals. For a sufficiently high density of states Cρ ≤ 1, the higher order nonlinear interaction must be taken into account

  16. Current Density and Plasma Displacement Near Perturbed Rational Surface

    International Nuclear Information System (INIS)

    Boozer, A.H.; Pomphrey, N.

    2010-01-01

    The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement.

  17. Wireless Sensor Node for Surface Seawater Density Measurements

    Directory of Open Access Journals (Sweden)

    Roberto Saletti

    2012-03-01

    Full Text Available An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes’ law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.

  18. Wireless sensor node for surface seawater density measurements.

    Science.gov (United States)

    Baronti, Federico; Fantechi, Gabriele; Roncella, Roberto; Saletti, Roberto

    2012-01-01

    An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes' law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.

  19. Surface tension and density of Si-Ge melts

    Science.gov (United States)

    Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

    2014-06-01

    In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

  20. H-mode-like discharge under the presence of 1/1 rational surface at ergodic layer in LHD

    International Nuclear Information System (INIS)

    Morita, Shigeru; Morisaki, Tomohiro; Tanaka, Kenji

    2004-01-01

    H-mode-like discharge was found in LHD with a full B t field of 2.5T at an outwardly shifted configuration of R ax = 4.00 m where the m/n = 1/1 rational surface is located at the ergodic layer. The H-mode-like discharge was triggered by changing the P NBI from 9MW to 5 MW in a density range of 4-8 x 10 13 cm -3 , followed by a clear density rise, ELM-like H α bursts, and a reduction of magnetic fluctuation. These H-mode-like features vanished with a small radial movement of the 1/1 surface. (author)

  1. SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

    Energy Technology Data Exchange (ETDEWEB)

    Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

    2010-12-20

    We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

  2. The vanishing twin: a major determinant of infant outcome in IVF singleton births

    DEFF Research Database (Denmark)

    Pinborg, Anja; Lidegaard, Ojvind; Andersen, Anders Nyboe

    2006-01-01

    This article attempts to assess the frequency of vanishing twins in assisted reproductive and spontaneously conceived pregnancies, including in-vitro fertilization (IVF), and its impact on the live-born surviving twin.......This article attempts to assess the frequency of vanishing twins in assisted reproductive and spontaneously conceived pregnancies, including in-vitro fertilization (IVF), and its impact on the live-born surviving twin....

  3. Consequences of vanishing twins in IVF/ICSI pregnancies

    DEFF Research Database (Denmark)

    Pinborg, Anja Bisgaard; Lidegaard, Ojvind; la Cour Freiesleben, Nina

    2005-01-01

    Spontaneous reductions are a possible cause of the increased morbidity in IVF singletons. The aim of this study was to assess incidence rates of spontaneous reductions in IVF/ICSI twin pregnancies and to compare short- and long-term morbidity in survivors of a vanishing co-twin with singletons...

  4. A comparison of UV surface brightness and HI surface densities for spiral galaxies

    International Nuclear Information System (INIS)

    Federman, S.R.; Strom, C.

    1990-01-01

    Shaya and Federman (1987) suggested that the ambient ultraviolet flux at 1000 A permeating a spiral galaxy controls the neutral hydrogen (HI) surface density in the galaxy. They found that the atomic envelopes surrounding small molecular clouds, because of their great number, provide the major contribution to the HI surface density over the stellar disk. The increase in HI surface density with later Hubble types was ascribed to the stronger UV fields from more high-mass stars in later Hubble types. These hypotheses are based on the observations of nearby diffuse interstellar clouds, which show a sharp atomic-to-molecular transition (Savage et al. 1977), and on the theoretical framework introduced by Federman, Glassgold, and Kwan (1979). Atomic envelopes around interstellar clouds in the solar neighborhood arise when a steady state is reached between photodissociation of H2 and the formation of H2 on grains. The photodissociation process involves photons with wavelengths between 912 A and 1108 A. Shaya and Federman used H-alpha flux as an approximate measure for the far UV flux and made their comparisons based on averages over Hubble type. Here, researchers compare, on an individual basis, UV data obtained with space-borne and balloon-borne instruments for galaxies with measurements of HI surface density (Warmels 1988a, b). The comparisons substantiate the conclusion of Shaya and Federman that the far UV field controls the HI content of spiral galaxies

  5. The liquid-vapour interface of chain molecules investigated using a density functional approach

    International Nuclear Information System (INIS)

    Bryk, P; Bucior, K; Sokolowski, S; Zukocinski, G

    2004-01-01

    A microscopic density functional theory is used to investigate the liquid-vapour interface of fluids composed of short linear chains. We analyse the structure of the interface and evaluate the dependence of the surface tension and of the interfacial width on the temperature. The difference in chain length leads to differences in the thermodynamic properties of the fluids. The liquid-phase parts of the interfacial profiles of shorter chains exhibit oscillations at low temperatures. These oscillations vanish for longer chains. The surface tension and the interfacial width at a given temperature are found to increase with the chain length. Both the surface tension and the interfacial width scale as power laws upon approaching the critical point with critical exponents characteristic of mean-field-type theories and with prefactors depending on the chain length only

  6. Current density tensors

    Science.gov (United States)

    Lazzeretti, Paolo

    2018-04-01

    It is shown that nonsymmetric second-rank current density tensors, related to the current densities induced by magnetic fields and nuclear magnetic dipole moments, are fundamental properties of a molecule. Together with magnetizability, nuclear magnetic shielding, and nuclear spin-spin coupling, they completely characterize its response to magnetic perturbations. Gauge invariance, resolution into isotropic, deviatoric, and antisymmetric parts, and contributions of current density tensors to magnetic properties are discussed. The components of the second-rank tensor properties are rationalized via relationships explicitly connecting them to the direction of the induced current density vectors and to the components of the current density tensors. The contribution of the deviatoric part to the average value of magnetizability, nuclear shielding, and nuclear spin-spin coupling, uniquely determined by the antisymmetric part of current density tensors, vanishes identically. The physical meaning of isotropic and anisotropic invariants of current density tensors has been investigated, and the connection between anisotropy magnitude and electron delocalization has been discussed.

  7. Temperature-dependent surface density of alkylthiol monolayers on gold nanocrystals

    Science.gov (United States)

    Liu, Xuepeng; Lu, Pin; Zhai, Hua; Wu, Yucheng

    2018-03-01

    Atomistic molecular dynamics (MD) simulations are performed to study the surface density of passivating monolayers of alkylthiol chains on gold nanocrystals at temperatures ranging from 1 to 800 K. The results show that the surface density of alkylthiol monolayer reaches a maximum value at near room temperature (200-300 K), while significantly decreases with increasing temperature in the higher temperature region (> 300 {{K}}), and slightly decreases with decreasing temperature at low temperature (< 200 {{K}}). We find that the temperature dependence of surface ligand density in the higher temperature region is attributed to the substantial ligand desorption induced by the thermal fluctuation, while that at low temperature results from the reduction in entropy caused by the change in the ordering of passivating monolayer. These results are expected helpful to understand the temperature-dependent surface coverage of gold nanocrystals.

  8. The vanishing discount problem and viscosity Mather measures. Part 2: boundary value problems

    OpenAIRE

    Ishii, Hitoshi; Mitake, Hiroyoshi; Tran, Hung V.

    2016-01-01

    In arXiv:1603.01051 (Part 1 of this series), we have introduced a variational approach to studying the vanishing discount problem for fully nonlinear, degenerate elliptic, partial differential equations in a torus. We develop this approach further here to handle boundary value problems. In particular, we establish new representation formulas for solutions of discount problems, critical values, and use them to prove convergence results for the vanishing discount problems.

  9. Photon density of states for deformed surfaces

    International Nuclear Information System (INIS)

    Emig, T

    2006-01-01

    A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

  10. A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

    Directory of Open Access Journals (Sweden)

    Robert S. Fausto

    2018-05-01

    Full Text Available The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has an insignificant annual air temperature dependency. We demonstrate that two widely-used surface snow density parameterizations dependent on temperature systematically overestimate surface snow density over the Greenland ice sheet by 17–19%, and that using a constant density of 315 kg m−3 may give superior results when applied in surface mass budget modeling.

  11. Quark condensation, induced symmetry breaking and color superconductivity at high density

    International Nuclear Information System (INIS)

    Langfeld, Kurt; Rho, Mannque

    1999-01-01

    The phase structure of hadronic matter at high density relevant to the physics of compact stars and relativistic heavy-ion collisions is studied in a low-energy effective quark theory. The relevant phases that figure are (1) chiral condensation, (2) diquark color condensation (color superconductivity) and (3) induced Lorentz-symmetry breaking (''ISB''). For a reasonable strength for the effective four-Fermi current-current interaction implied by the low-energy effective quark theory for systems with a Fermi surface we find that the ''ISB'' phase sets in together with chiral symmetry restoration (with the vanishing quark condensate) at a moderate density while color superconductivity associated with scalar diquark condensation is pushed up to an asymptotic density. Consequently, color superconductivity seems rather unlikely in heavy-ion collisions although it may play a role in compact stars. Lack of confinement in the model makes the result of this analysis only qualitative but the hierarchy of the transitions we find seems to be quite robust

  12. Lactoperoxidase catalyzed radioiodination of cell surface immunoglobulin: incorporated radioactivity may not reflect relative cell surface Ig density

    International Nuclear Information System (INIS)

    Wilder, R.L.; Yuen, C.C.; Mage, R.G.

    1979-01-01

    Rabbit and mouse splenic lymphocytes were radioiodinated by the lactoperoxidase technique, extracted with non-ionic detergent, immunoprecipitated with high titered rabbit anti-kappa antisera, and compared by SDS-PAGE. Mouse sIg peaks were reproducibly larger in size than rabbit sIg peaks (often greater than 10 times). Neither differences in incorporation of label into the rabbit cell surface, nor differences in average sIg density explain this result. Total TCA-precipitable radioactivity was similar in each species. Estimation of the relative amounts of sIg in the mouse and rabbit showed similar average sIg densities. Differences in detergent solubility, proteolytic lability, or antisera used also do not adequately account for this difference. Thus, these data indicate that radioactivity incorporated after lactoperoxidase catalyzed cell surface radioiodination may not reflect cell surface Ig density. Conclusions about cell surface density based upon relative incorporation of radioactivity should be confirmed by other approaches

  13. On the monoaxial stabilization of a rigid body under vanishing restoring torque

    Science.gov (United States)

    Aleksandrov, A. Yu.; Aleksandrova, E. B.; Tikhonov, A. A.

    2018-05-01

    The problem of monoaxial stabilization of a rigid body is studied. It is assumed that a linear time-invariant dissipative torque and a time-varying restoring torque vanishing as time increases act on the body. Both the case of linear restoring torque and that of essentially nonlinear one are considered. With the aid of the decomposition method, conditions are obtained under which we can guarantee the asymptotic stability of an equilibrium position of the body despite the vanishing of the restoring torque. A numerical simulation is provided to demonstrate the effectiveness of our theoretical results.

  14. Variational Iteration Method for Volterra Functional Integrodifferential Equations with Vanishing Linear Delays

    Directory of Open Access Journals (Sweden)

    Ali Konuralp

    2014-01-01

    Full Text Available Application process of variational iteration method is presented in order to solve the Volterra functional integrodifferential equations which have multi terms and vanishing delays where the delay function θ(t vanishes inside the integral limits such that θ(t=qt for 0

  15. On conserved densities and asymptotic behaviour for the potential Kadomtsev-Petviashvili equation

    International Nuclear Information System (INIS)

    Rosenhaus, V

    2006-01-01

    We study local conservation laws with non-vanishing conserved densities and corresponding boundary conditions for the potential Kadomtsev-Petviashvili equation. We analyse an infinite symmetry group of the equation, and generate a finite number of conserved densities corresponding to infinite symmetries through appropriate boundary conditions

  16. Type 1,1-operators defined by vanishing frequency modulation

    DEFF Research Database (Denmark)

    Johnsen, Jon

    2009-01-01

    This paper presents a general definition of pseudo-differential operators of type 1,1; the definition is shown to be the largest one that is both compatible with negliible operators and stable under vanishing frequency modulation. Elaborating counter-examples of Ching, Hörmander and Parenti...

  17. A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

    DEFF Research Database (Denmark)

    S. Fausto, Robert; E. Box, Jason; Vandecrux, Baptiste Robert Marcel

    2018-01-01

    The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based...... on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn......-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has...

  18. Hodgkin's lymphoma-related vanishing bile duct syndrome: A case report and literature review

    Directory of Open Access Journals (Sweden)

    Kiong-Ming Wong

    2013-11-01

    Full Text Available We report the case of a 38-year-old man who developed vanishing bile duct syndrome in association with Hodgkin's lymphoma. He was noted to have cervical lymphadenopathy and marked elevation of total serum bilirubin at diagnosis. He achieved complete remission with normalization of serum bilirubin after eight courses of Adriamycin, bleomycin, vinblastine, and dacarbazine chemotherapy followed with autologous hematopoietic cell transplantation. Consecutive liver biopsies performed at diagnosis and at the stage of complete remission revealed the disappearance and regeneration of interlobular bile ducts, respectively. Our case provides pathological evidence that Hodgkin's lymphoma-related vanishing bile duct syndrome is a reversible bile duct injury disease. Bilirubin is a reliable serum marker to monitor the treatment response of these cases. The mechanism to develop hyperbilirubinemia with vanishing bile duct in such a case of Hodgkin's lymphoma remains to be studied. A literature review was carried out.

  19. So It Vanished: Art, Taboo and Shared Space in Contemporary Aotearoa New Zealand

    Directory of Open Access Journals (Sweden)

    Jonathan Barrett

    2013-04-01

    Full Text Available In February 2012, The Dowse Art Museum in Lower Hutt, near Wellington, planned to host So It Vanishes, an exhibition by acclaimed Mexican artist Teresa Margolles, whose often shocking works seek to highlight how dispensable human life has become in the parts of Mexico riven by drugs wars. Margolles’s installation would have used infinitesimal amounts of morgue water in a bubble mixture dispensed into an empty, silent room in the same building that sacred Māori treasures are housed. The incorporation of water used to wash corpses in So It Vanishes, particularly in proximity to cultural treasures, would have been deeply offensive, indeed dangerous, for Māori people. Following objections, the exhibition was cancelled. This article analyses the cancellation of So It Vanishes and seeks to answer whether and how transgressive art and indigenous beliefs may be reconciled in contemporary Aotearoa New Zealand.

  20. Type 1,1-operators defined by vanishing frequency modulation

    DEFF Research Database (Denmark)

    Johnsen, Jon

    This paper presents a general definition of pseudo-differential operators of type 1,1; the definition is shown to be the largest one that is both compatible with negligible operators and stable under vanishing frequency modulation. Elaborating counter-examples of Ching andHörmander, type 1...

  1. DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

    African Journals Online (AJOL)

    a

    The whole set up was interfaced with a computer for easy data acquisition. It was observed that ... parameters. KEY WORDS: Alumina, Surface charge density, Acid-base titration, Point of zero charge ... For instance, Al2(SO4)3 is used in water ...

  2. Density functional theory of simple polymers in a slit pore. III. Surface tension

    International Nuclear Information System (INIS)

    Hooper, Justin B.; McCoy, John D.; Curro, John G.; Swol, Frank van

    2000-01-01

    In a previous study of tangent hard-site chains near a surface, the inhomogeneous density profiles were found through density functional theory. In the current study, the surface tensions of these systems are found from the results of the previous study through a thermodynamic integration. The calculated surface tensions are then compared to those found directly through computer simulation. Both the surface tension and surface excess for polymeric systems are shown to differ qualitatively from those of atomic systems, although certain similarities are seen at high densities. (c) 2000 American Institute of Physics

  3. Experimental surface charge density of the Si (100)-2x1H surface

    DEFF Research Database (Denmark)

    Ciston, J.; Marks, L.D.; Feidenhans'l, R.

    2006-01-01

    We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...

  4. The "vanishing follicle" in women with low number of developing follicles during assisted reproduction.

    Science.gov (United States)

    Younis, Johnny S; Yakovi, Shiran; Izhaki, Ido; Haddad, Sami; Ben-Ami, Moshe

    2018-01-01

    To investigate the occurrence of the "vanishing follicle" phenomenon in women with low number of developing follicles in assisted reproduction. Women with ≤ 6 follicles on the day of hCG administration with ≥ 14mm diameter were prospectively studied. Primary outcome measures were disappearance of ≥14mm and all-diameter follicles on the day of oocyte pick-up compared to the day of hCG administration. Among the 120 women recruited, 95 were found eligible and completed the study. The "vanishing follicle" phenomenon occurred in 3.1% (95% confidence level: 0.7%-9.0%) and 18.9% (95% confidence level: 11.6%-28.3%) of cases affecting ≥14mm and all-diameter follicles, respectively. In all cases, mid-late follicular serum LH and P levels remained within normal follicular phase range and trans-vaginal scan did not show signs of ovulation. Markedly, the main significant difference between the study and control groups in the ≥14mm follicle group was serum E 2 level on the day of hCG administration; median (Interquartile range), corresponding to 395 (382.0-405.5) versus 823.0 (544.5-1291.0) pg/mL, respectively (P=0.04). The same trend was encountered in all-diameter vanishing follicles group but it did not reach significance. Interestingly, in all-diameter vanishing group, chronic smoking and the P/E 2 ratio on the hCG day were significantly higher than controls. Post hoc multiple logistic regression analysis of data in accordance with the Bologna criteria reveled that antral follicle count was found to significantly affect the development of the "vanishing follicle" phenomenon. The "vanishing follicle" phenomenon occasionally occurs in women with low number of developing follicles during assisted reproduction with no signs of ovulation. Our preliminary findings suggest that this phenomenon may be related to exhausted ovarian reserve however, an early-unrecognized LH elevation could not be ruled out. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Full charge-density calculation of the surface energy of metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

    1994-01-01

    of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

  6. An application of stress energy tensor to the vanishing theorem of differential forms

    Directory of Open Access Journals (Sweden)

    Kairen Cai

    1988-01-01

    Full Text Available The author applies the stress energy of differential forms to study the vanishing theorems of the Liouville type. It is shown that for a large class of underlying manifolds such as the Euclidean n-space, the complex n-space, and the complex hyperbolic space form, if any vector bundle valued p-form with conservative stress energy tensor is of finite norm or slowly divergent norm, then the p-form vanishes. This generalizes the recent results due to Hu and Sealey.

  7. Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Buecking, N

    2007-11-05

    In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

  8. Breakdown of the Siegert theorem and the many-body charge density operators

    International Nuclear Information System (INIS)

    Hyuga, H.; Ohtsubo, H.

    1978-01-01

    The exchange charge density operator is studied in the two-boson exchange model with consistent treatment of the exchange current and nuclear wave functions. A non-vanishing exchange charge density operator even in the static limit, which leads to the breakdown of the Siegert theorem, is found. (Auth.)

  9. Surface determinants of low density lipoprotein uptake by endothelial cells

    International Nuclear Information System (INIS)

    Goeroeg, P.; Pearson, J.D.

    1984-01-01

    The surface sialic acid content of aortic endothelial cells in vitro was substantially lower in sparse cultures than at confluence. Binding of LDL to endothelial cells did not change at different culture densities and was unaffected by brief pretreatment with neuraminidase to partially remove surface sialic acid residues. In contrast, internalisation of LDL declined by a factor of 3 between low density cell cultures and confluent monolayers; neuraminidase pretreatment increased LDL uptake and the effect was most marked (>10-fold) at confluence. Pretreatment with cationised ferritin, which removed most of the surface sialic acid residues as well as glycosaminoglycans, increased LDL internalisation by up to 20-fold, again with most effect on confluent monolayers. Thus LDL uptake is inversely correlated with sialic acid content. We conclude that changes in the surface density of sialic acid (and possibly other charged) residues significantly modulate endothelial LDL uptake, and suggest that focal increases in LDL accumulation during atherogenesis may be related to alterations in endothelial endocytic properties at sites of increased cell turnover or damage. (author)

  10. Surface radiant flux densities inferred from LAC and GAC AVHRR data

    Science.gov (United States)

    Berger, F.; Klaes, D.

    To infer surface radiant flux densities from current (NOAA-AVHRR, ERS-1/2 ATSR) and future meteorological (Envisat AATSR, MSG, METOP) satellite data, the complex, modular analysis scheme SESAT (Strahlungs- und Energieflüsse aus Satellitendaten) could be developed (Berger, 2001). This scheme allows the determination of cloud types, optical and microphysical cloud properties as well as surface and TOA radiant flux densities. After testing of SESAT in Central Europe and the Baltic Sea catchment (more than 400scenes U including a detailed validation with various surface measurements) it could be applied to a large number of NOAA-16 AVHRR overpasses covering the globe.For the analysis, two different spatial resolutions U local area coverage (LAC) andwere considered. Therefore, all inferred results, like global area coverage (GAC) U cloud cover, cloud properties and radiant properties, could be intercompared. Specific emphasis could be made to the surface radiant flux densities (all radiative balance compoments), where results for different regions, like Southern America, Southern Africa, Northern America, Europe, and Indonesia, will be presented. Applying SESAT, energy flux densities, like latent and sensible heat flux densities could also be determined additionally. A statistical analysis of all results including a detailed discussion for the two spatial resolutions will close this study.

  11. The vanishing volume of D = 4 superspace

    Energy Technology Data Exchange (ETDEWEB)

    Bossard, Guillaume, E-mail: bossard@cpht.polytechnique.f [Ecole Polytechnique (CNRS), Palaiseau Cedex (France). Centre de Physique Theorique; Howe, P.S., E-mail: paul.howe@kcl.ac.u [University of London (United Kingdom). King' s College. Dept. of Mathematics; Stelle, K.S., E-mail: stelle@imperial.ac.u [Imperial College London (United Kingdom). Theoretical Physics Group; Vanhove, Pierre, E-mail: pierre.vanhove@cea.f [University of California, Santa Barbara, CA (United States). Kavli Inst. for Theoretical Physics

    2011-07-01

    The volume of on-shell D = 4, N = 8 superspace is shown to vanish. Despite this, it is shown that there is a fully supersymmetric and duality-invariant candidate {nabla}{sup 8}R{sup 4} counterterm corresponding to an anticipated seven-loop logarithmic divergence in D = 4. We construct this counterterm explicitly and also give the complete nonlinear extension of the 1=8-BPS {nabla}{sup 6}R{sup 4} invariant. Similar results are derived for N = 4; 5 and 6. (author)

  12. vanishing bone disease in a tertiary teaching hospital in uganda

    African Journals Online (AJOL)

    prior to the above presentation and review of systems were unremarkable. General examination revealed a ... syndrome or disease, massive osteolysis, disappearing bone disease, vanishing bone disease, idiopathic ... patient symptoms and anatomic location. Medical treatment involves, radiation therapy, anti-osteoclastic.

  13. Inequality for the infinite-cluster density in Bernoulli percolation

    International Nuclear Information System (INIS)

    Chayes, J.T.; Chayes, L.

    1986-01-01

    Under a certain assumption (which is satisfied whenever there is a dense infinite cluster in the half-space), we prove a differential inequality for the infinite-cluster density, P/sub infinity/(p), in Bernoulli percolation. The principal implication of this result is that if P/sub infinity/(p) vanishes with critical exponent β, then β obeys the mean-field bound β< or =1. As a corollary, we also derive an inequality relating the backbone density, the truncated susceptibility, and the infinite-cluster density

  14. Gap and density theorems

    CERN Document Server

    Levinson, N

    1940-01-01

    A typical gap theorem of the type discussed in the book deals with a set of exponential functions { \\{e^{{{i\\lambda}_n} x}\\} } on an interval of the real line and explores the conditions under which this set generates the entire L_2 space on this interval. A typical gap theorem deals with functions f on the real line such that many Fourier coefficients of f vanish. The main goal of this book is to investigate relations between density and gap theorems and to study various cases where these theorems hold. The author also shows that density- and gap-type theorems are related to various propertie

  15. Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

    DEFF Research Database (Denmark)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

    2016-01-01

    Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far...

  16. Stratified turbulent Bunsen flames : flame surface analysis and flame surface density modelling

    NARCIS (Netherlands)

    Ramaekers, W.J.S.; Oijen, van J.A.; Goey, de L.P.H.

    2012-01-01

    In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold

  17. Dynamical vanishing of the order parameter in a confined Bardeen-Cooper-Schrieffer Fermi gas after an interaction quench

    Science.gov (United States)

    Hannibal, S.; Kettmann, P.; Croitoru, M. D.; Axt, V. M.; Kuhn, T.

    2018-01-01

    We present a numerical study of the Higgs mode in an ultracold confined Fermi gas after an interaction quench and find a dynamical vanishing of the superfluid order parameter. Our calculations are done within a microscopic density-matrix approach in the Bogoliubov-de Gennes framework which takes the three-dimensional cigar-shaped confinement explicitly into account. In this framework, we study the amplitude mode of the order parameter after interaction quenches starting on the BCS side of the BEC-BCS crossover close to the transition and ending in the BCS regime. We demonstrate the emergence of a dynamically vanishing superfluid order parameter in the spatiotemporal dynamics in a three-dimensional trap. Further, we show that the signal averaged over the whole trap mirrors the spatiotemporal behavior and allows us to systematically study the effects of the system size and aspect ratio on the observed dynamics. Our analysis enables us to connect the confinement-induced modifications of the dynamics to the pairing properties of the system. Finally, we demonstrate that the signature of the Higgs mode is contained in the dynamical signal of the condensate fraction, which, therefore, might provide a new experimental access to the nonadiabatic regime of the Higgs mode.

  18. Astrocytes are central in the pathomechanisms of vanishing white matter

    NARCIS (Netherlands)

    Dooves, Stephanie; Bugiani, Marianna; Postma, Nienke L.; Polder, Emiel; Land, Niels; Horan, Stephen T.; van Deijk, Anne-Lieke F.; van de Kreeke, Aleid; Jacobs, Gerbren; Vuong, Caroline; Klooster, Jan; Kamermans, Maarten; Wortel, Joke; Loos, Maarten; Wisse, Lisanne E.; Scheper, Gert C.; Abbink, Truus E. M.; Heine, Vivi M.; van der Knaap, Marjo S.

    2016-01-01

    Vanishing white matter (VWM) is a fatal leukodystrophy that is caused by mutations in genes encoding subunits of eukaryotic translation initiation factor 2B (eIF2B). Disease onset and severity are codetermined by genotype. White matter astrocytes and oligodendrocytes are almost exclusively affected;

  19. Composition, morphology and surface recombination rate of HCl-isopropanol treated and vacuum annealed InAs(1 1 1)A surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kesler, V.G., E-mail: kesler@isp.nsc.ru [Institute of Semiconductor Physics SB RAS, Lavrentiev av., 13, Novosibirsk 630090 (Russian Federation); Seleznev, V.A.; Kovchavtsev, A.P.; Guzev, A.A. [Institute of Semiconductor Physics SB RAS, Lavrentiev av., 13, Novosibirsk 630090 (Russian Federation)

    2010-05-01

    X-ray photoelectron spectroscopy and atomic force microscopy were used to examine the chemical composition and surface morphology of InAs(1 1 1)A surface chemically etched in isopropanol-hydrochloric acid solution (HCl-iPA) and subsequently annealed in vacuum in the temperature range 200-500 deg. C. Etching for 2-30 min resulted in the formation of 'pits' and 'hillocks' on the sample surface, respectively 1-2 nm deep and high, with lateral dimensions 50-100 nm. The observed local formations, whose density was up to 3 x 10{sup 8} cm{sup -2}, entirely vanished from the surface after the samples were vacuum-annealed at temperatures above 300 deg. C. Using a direct method, electron beam microanalysis, we have determined that the defects of the hillock type includes oxygen and excessive As, while the 'pits' proved to be identical in their chemical composition to InAs. Vacuum anneals were found to cause a decrease in As surface concentration relative to In on InAs surface, with a concomitant rise of surface recombination rate.

  20. Composition, morphology and surface recombination rate of HCl-isopropanol treated and vacuum annealed InAs(1 1 1)A surfaces

    Science.gov (United States)

    Kesler, V. G.; Seleznev, V. A.; Kovchavtsev, A. P.; Guzev, A. A.

    2010-05-01

    X-ray photoelectron spectroscopy and atomic force microscopy were used to examine the chemical composition and surface morphology of InAs(1 1 1)A surface chemically etched in isopropanol-hydrochloric acid solution (HCl-iPA) and subsequently annealed in vacuum in the temperature range 200-500 °C. Etching for 2-30 min resulted in the formation of "pits" and "hillocks" on the sample surface, respectively 1-2 nm deep and high, with lateral dimensions 50-100 nm. The observed local formations, whose density was up to 3 × 10 8 cm -2, entirely vanished from the surface after the samples were vacuum-annealed at temperatures above 300 °C. Using a direct method, electron beam microanalysis, we have determined that the defects of the hillock type includes oxygen and excessive As, while the "pits" proved to be identical in their chemical composition to InAs. Vacuum anneals were found to cause a decrease in As surface concentration relative to In on InAs surface, with a concomitant rise of surface recombination rate.

  1. Composition, morphology and surface recombination rate of HCl-isopropanol treated and vacuum annealed InAs(1 1 1)A surfaces

    International Nuclear Information System (INIS)

    Kesler, V.G.; Seleznev, V.A.; Kovchavtsev, A.P.; Guzev, A.A.

    2010-01-01

    X-ray photoelectron spectroscopy and atomic force microscopy were used to examine the chemical composition and surface morphology of InAs(1 1 1)A surface chemically etched in isopropanol-hydrochloric acid solution (HCl-iPA) and subsequently annealed in vacuum in the temperature range 200-500 deg. C. Etching for 2-30 min resulted in the formation of 'pits' and 'hillocks' on the sample surface, respectively 1-2 nm deep and high, with lateral dimensions 50-100 nm. The observed local formations, whose density was up to 3 x 10 8 cm -2 , entirely vanished from the surface after the samples were vacuum-annealed at temperatures above 300 deg. C. Using a direct method, electron beam microanalysis, we have determined that the defects of the hillock type includes oxygen and excessive As, while the 'pits' proved to be identical in their chemical composition to InAs. Vacuum anneals were found to cause a decrease in As surface concentration relative to In on InAs surface, with a concomitant rise of surface recombination rate.

  2. Exact analytical density profiles and surface tension

    Indian Academy of Sciences (India)

    journal of. May 2005 physics pp. 785–801. Classical charged fluids at equilibrium near ... is provided by the excess surface tension for an air–water interface, which is determined ... the potential drop created by the electric layer which appears as soon as the fluid has ...... radii, by symmetry, the charge density profile is flat,.

  3. Nitride surface passivation of GaAs nanowires: impact on surface state density.

    Science.gov (United States)

    Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L

    2015-01-14

    Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.

  4. Vanishing of Littlewood-Richardson polynomials is in P

    OpenAIRE

    Adve, Anshul; Robichaux, Colleen; Yong, Alexander

    2017-01-01

    J. DeLoera-T. McAllister and K. D. Mulmuley-H. Narayanan-M. Sohoni independently proved that determining the vanishing of Littlewood-Richardson coefficients has strongly polynomial time computational complexity. Viewing these as Schubert calculus numbers, we prove the generalization to the Littlewood-Richardson polynomials that control equivariant cohomology of Grassmannians. We construct a polytope using the edge-labeled tableau rule of H. Thomas-A. Yong. Our proof then combines a saturation...

  5. Surface tension and density of liquid In-Sn-Zn alloys

    Science.gov (United States)

    Pstruś, Janusz

    2013-01-01

    Using the dilatometric method, measurements of the density of liquid alloys of the ternary system In-Sn-Zn in four sections with a constant ratio Sn:In = 24:1, 3:1, 1:1, 1:3, for various Zn additions (5, 10, 14, 20, 3 5, 50 and 75 at.% Zn) were performed at the temperature ranges of 500-1150 K. Density decreases linearly for all compositions. The molar volume calculated from density data exhibits close to ideal dependence on composition. Measurements of the surface tension of liquid alloys have been conducted using the method of maximum pressure in the gas bubbles. There were observed linear dependences on temperature with a negative gradients dσ/dT. Generally, with two exceptions, there was observed the increase of surface tension with increasing content of zinc. Using the Butler's model, the surface tension isotherms were calculated for temperatures T = 673 and 1073 K. Calculations show that only for high temperatures and for low content of zinc (up to about 35 at.%), the modeling is in very good agreement with experiment. Using the mentioned model, the composition of the surface phase was defined at two temperatures T = 673 and 973 K. Regardless of the temperature and of the defined section, the composition of the bulk is very different in comparison with the composition of the surface.

  6. Quad-Rotor Helicopter Autonomous Navigation Based on Vanishing Point Algorithm

    Directory of Open Access Journals (Sweden)

    Jialiang Wang

    2014-01-01

    Full Text Available Quad-rotor helicopter is becoming popular increasingly as they can well implement many flight missions in more challenging environments, with lower risk of damaging itself and its surroundings. They are employed in many applications, from military operations to civilian tasks. Quad-rotor helicopter autonomous navigation based on the vanishing point fast estimation (VPFE algorithm using clustering principle is implemented in this paper. For images collected by the camera of quad-rotor helicopter, the system executes the process of preprocessing of image, deleting noise interference, edge extracting using Canny operator, and extracting straight lines by randomized hough transformation (RHT method. Then system obtains the position of vanishing point and regards it as destination point and finally controls the autonomous navigation of the quad-rotor helicopter by continuous modification according to the calculated navigation error. The experimental results show that the quad-rotor helicopter can implement the destination navigation well in the indoor environment.

  7. Power Spectral Density Evaluation of Laser Milled Surfaces

    Directory of Open Access Journals (Sweden)

    Raoul-Amadeus Lorbeer

    2017-12-01

    Full Text Available Ablating surfaces with a pulsed laser system in milling processes often leads to surface changes depending on the milling depth. Especially if a constant surface roughness and evenness is essential to the process, structural degradation may advance until the process fails. The process investigated is the generation of precise thrust by laser ablation. Here, it is essential to predict or rather control the evolution of the surfaces roughness. Laser ablative milling with a short pulse laser system in vacuum (≈1 Pa were performed over depths of several 10 µm documenting the evolution of surface roughness and unevenness with a white light interference microscope. Power spectral density analysis of the generated surface data reveals a strong influence of the crystalline structure of the solid. Furthermore, it was possible to demonstrate that this effect could be suppressed for gold.

  8. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

    2009-01-01

    Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

  9. Density-functional calculations of the surface tension of liquid Al and Na

    Science.gov (United States)

    Stroud, D.; Grimson, M. J.

    1984-01-01

    Calculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.

  10. An asymptotic formula for the free energy density of ideal quantum gases

    International Nuclear Information System (INIS)

    Mackowiak, J.

    1988-01-01

    It is shown that the expressions for the free energy density of ideal quantum gases in the canonical and grand canonical ensembles, are identical up to additive terms which vanish in the thermodynamic limit. (orig.)

  11. Silicon surface barrier detectors used for liquid hydrogen density measurement

    Science.gov (United States)

    James, D. T.; Milam, J. K.; Winslett, H. B.

    1968-01-01

    Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.

  12. Improved density functional calculations for atoms, molecules and surfaces

    International Nuclear Information System (INIS)

    Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.

    2005-01-01

    The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)

  13. GAS SURFACE DENSITY, STAR FORMATION RATE SURFACE DENSITY, AND THE MAXIMUM MASS OF YOUNG STAR CLUSTERS IN A DISK GALAXY. II. THE GRAND-DESIGN GALAXY M51

    International Nuclear Information System (INIS)

    González-Lópezlira, Rosa A.; Pflamm-Altenburg, Jan; Kroupa, Pavel

    2013-01-01

    We analyze the relationship between maximum cluster mass and surface densities of total gas (Σ gas ), molecular gas (Σ H 2 ), neutral gas (Σ H I ), and star formation rate (Σ SFR ) in the grand-design galaxy M51, using published gas data and a catalog of masses, ages, and reddenings of more than 1800 star clusters in its disk, of which 223 are above the cluster mass distribution function completeness limit. By comparing the two-dimensional distribution of cluster masses and gas surface densities, we find for clusters older than 25 Myr that M 3rd ∝Σ H I 0.4±0.2 , whereM 3rd is the median of the five most massive clusters. There is no correlation withΣ gas ,Σ H2 , orΣ SFR . For clusters younger than 10 Myr, M 3rd ∝Σ H I 0.6±0.1 and M 3rd ∝Σ gas 0.5±0.2 ; there is no correlation with either Σ H 2 orΣ SFR . The results could hardly be more different from those found for clusters younger than 25 Myr in M33. For the flocculent galaxy M33, there is no correlation between maximum cluster mass and neutral gas, but we have determined M 3rd ∝Σ gas 3.8±0.3 , M 3rd ∝Σ H 2 1.2±0.1 , and M 3rd ∝Σ SFR 0.9±0.1 . For the older sample in M51, the lack of tight correlations is probably due to the combination of strong azimuthal variations in the surface densities of gas and star formation rate, and the cluster ages. These two facts mean that neither the azimuthal average of the surface densities at a given radius nor the surface densities at the present-day location of a stellar cluster represent the true surface densities at the place and time of cluster formation. In the case of the younger sample, even if the clusters have not yet traveled too far from their birth sites, the poor resolution of the radio data compared to the physical sizes of the clusters results in measuredΣ that are likely quite diluted compared to the actual densities relevant for the formation of the clusters.

  14. Surface effects on mean inner potentials studied using density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)

    2015-12-15

    Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both “thin-film” and “nanowire” specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.

  15. Vanishing of cohomology over Cohen–Macaulay rings

    DEFF Research Database (Denmark)

    Christensen, Lars Winther; Holm, Henrik Granau

    2012-01-01

    A 2003 counterexample to a conjecture of Auslander brought attention to a family of rings—colloquially called AC rings—that satisfy a natural condition on vanishing of cohomology. Several results attest to the remarkable homological properties of AC rings, but their definition is barely operational......, and it remains unknown if they form a class that is closed under typical constructions in ring theory. In this paper, we study transfer of the AC property along local homomorphisms of Cohen–Macaulay rings. In particular, we show that the AC property is preserved by standard procedures in local algebra. Our...

  16. Influence of surface conditions in nucleate boiling--the concept of bubble flux density

    International Nuclear Information System (INIS)

    Shoukri, M.; Judd, R.L.

    1978-01-01

    A study of the influence of surface conditions in nucleate pool boiling is presented. The surface conditions are represented by the number and distribution of the active nucleation sites as well as the size and size distribution of the cavities that constitute the nucleation sites. The heat transfer rate during nucleate boiling is shown to be influenced by the surface condition through its effect on the number and distribution of the active nucleation sites as well as the frequency of bubble departure from each of these different size cavities. The concept of bubble flux density, which is a function of both the active site density and frequency of bubble departure, is introduced. A method of evaluating the bubble flux density is proposed and a uniform correlation between the boiling heat flux and the bubble flux density is found to exist for a particular solid-liquid combination irrespective of the surface finish within the region of isolated bubbles

  17. Surface terms and dual formulations of gauge theories

    International Nuclear Information System (INIS)

    Mecklenburg, W.; Mizrachi, L.

    1982-09-01

    Previously proposed duality transformations for a pure non-Abelian gauge theory are carried out for a Yang Mills theory with non-vanishing theta parameter. We argue that the theory is no longer self-dual even in the weak coupling limit, as there is a surface term generated by the duality transformation. This surface term has non-zero Pontryagin index hence it gets contributions from instanton type configurations only. However, it does vanish for monopoles and vortices, therefore for this set of configurations self-duality is maintained in the weak coupling region. (author)

  18. On weighted hardy inequalities on semiaxis for functions vanishing at the endpoints

    Directory of Open Access Journals (Sweden)

    Stepanov Vladimir

    1997-01-01

    Full Text Available We study the weighted Hardy inequalities on the semiaxis of the form for functions vanishing at the endpoints together with derivatives up to the order . The case is completely characterized.

  19. QCD at Zero Baryon Density and the Polyakov Loop Paradox

    CERN Document Server

    Kratochvila, S; Forcrand, Ph. de

    2006-01-01

    We compare the grand canonical partition function at fixed chemical potential mu with the canonical partition function at fixed baryon number B, formally and by numerical simulations at mu=0 and B=0 with four flavours of staggered quarks. We verify that the free energy densities are equal in the thermodynamic limit, and show that they can be well described by the hadron resonance gas at T T_c. Small differences between the two ensembles, for thermodynamic observables characterising the deconfinement phase transition, vanish with increasing lattice size. These differences are solely caused by contributions of non-zero baryon density sectors, which are exponentially suppressed with increasing volume. The Polyakov loop shows a different behaviour: for all temperatures and volumes, its expectation value is exactly zero in the canonical formulation, whereas it is always non-zero in the commonly used grand-canonical formulation. We clarify this paradoxical difference, and show that the non-vanishing Polyakov loop e...

  20. Self-consistent density functional calculation of the image potential at a metal surface

    International Nuclear Information System (INIS)

    Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

    2007-01-01

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

  1. Self-consistent density functional calculation of the image potential at a metal surface

    Energy Technology Data Exchange (ETDEWEB)

    Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

    2007-07-04

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

  2. A possible step to surfaces at vanishing bare coupling in quantumchromodynamics

    International Nuclear Information System (INIS)

    Schlereth, H.

    1983-05-01

    Starting from a kind of half-dualized nonabelian action it is shown that for gsub(bare) → 0 it reduces to QCD. Integrating out the variables in the reversed order leads to a dual form of QCD. This form contains a constraint which can be solved in terms of surfaces with quark boundaries. Due to the nonabelian structure these surfaces cannot be moved in space-time by singular gauge transformations as the Dirac surface. It is conjectured that they become fully dynamical by quantum effects. The nontrivial structure of the dual theory at gsub(bare) → 0 is entirely due to it being nonabelian. The presence of the surfaces breaks self-duality at gsub(bare) → 0. A lattice version of the half-dualized action is briefly discussed. (Auth.)

  3. High-Density Infrared Surface Treatments of Refractories

    Energy Technology Data Exchange (ETDEWEB)

    Tiegs, T.N.

    2005-03-31

    Refractory materials play a crucial role in all energy-intensive industries and are truly a crosscutting technology for the Industries of the Future (IOF). One of the major mechanisms for the degradation of refractories and a general decrease in their performance has been the penetration and corrosion by molten metals or glass. Methods and materials that would reduce the penetration, wetting, and corrosive chemistry would significantly improve refractory performance and also maintain the quality of the processed liquid, be it metal or glass. This report presents the results of an R&D project aimed at investigating the use of high-density infrared (HDI) heating to surface treat refractories to improve their performance. The project was a joint effort between Oak Ridge National Laboratory (ORNL) and the University of Missouri-Rolla (UMR). HDI is capable of heating the near-surface region of materials to very high temperatures where sintering, diffusion, and melting can occur. The intended benefits of HDI processing of refractories were to (1) reduce surface porosity (by essentially sealing the surface to prevent liquid penetration), (2) allow surface chemistry changes to be performed by bonding an adherent coating onto the underlying refractory (in order to inhibit wetting and/or improve corrosion resistance), and (3) produce noncontact refractories with high-emissivity surface coatings.

  4. On relation between the quark-gluon bag surface tension and the colour tube string tension

    International Nuclear Information System (INIS)

    Bugaev, K.A.; Zinovjev, G.M.

    2010-01-01

    We revisit the bag phenomenology of deconfining phase transition aiming to replenish it by introducing systematically the bag surface tension. Comparing the free energies of such bags and the strings confining the static quark-antiquark pair, we express the string tension in terms of the bag surface tension and the bulk pressure in order to estimate the bag characteristics using the lattice QCD (LQCD) data. Our analysis of the bag entropy density demonstrates that the surface tension coefficient is amazingly negative at the cross-over (continuous transition). The approach developed allows us to naturally account for an origin of a pronounced maximum (observed in the LQCD studies) in the behaviour of heavy quark-antiquark pair entropy. The vicinity of the (tri-)critical endpoint is also analyzed to clarify the meaning of vanishing surface tension coefficient.

  5. Wave instabilities in nonlinear Schrödinger systems with non vanishing background

    KAUST Repository

    Trillo, Stefano; Gongora, J. S. Totero; Fratalocchi, Andrea

    2014-01-01

    We investigate wave collapse in the generalized nonlinear Schrödinger (NLS) equation and in the presence of a non vanishing background. Through the use of virial identities, we establish a new criterion for blow-up.

  6. Statistical sums of strings on hyperellyptic surfaces

    International Nuclear Information System (INIS)

    Lebedev, D.; Morozov, A.

    1987-01-01

    Contributions of hyperellyptic surfaces to statistical sums of string theories are presented. Available results on hyperellyptic surface give the apportunity to check factorization of three-loop statsum. Some remarks on the vanishing statistical sum are presented

  7. Simulating measures of wood density through the surface by Compton scattering

    International Nuclear Information System (INIS)

    Penna, Rodrigo; Oliveira, Arno H.; Braga, Mario R.M.S.S.; Vasconcelos, Danilo C.; Carneiro, Clemente J.G.; Penna, Ariane G.C.

    2009-01-01

    Monte Carlo code (MCNP-4C) was used to simulate a nuclear densimeter for measuring wood densities nondestructively. An Americium source (E = 60 keV) and a NaI (Tl) detector were placed on a wood block surface. Results from MCNP shown that scattered photon fluxes may be used to determining wood densities. Linear regressions between scattered photons fluxes and wood density were calculated and shown correlation coefficients near unity. (author)

  8. Residual Defect Density in Random Disks Deposits.

    Science.gov (United States)

    Topic, Nikola; Pöschel, Thorsten; Gallas, Jason A C

    2015-08-03

    We investigate the residual distribution of structural defects in very tall packings of disks deposited randomly in large channels. By performing simulations involving the sedimentation of up to 50 × 10(9) particles we find all deposits to consistently show a non-zero residual density of defects obeying a characteristic power-law as a function of the channel width. This remarkable finding corrects the widespread belief that the density of defects should vanish algebraically with growing height. A non-zero residual density of defects implies a type of long-range spatial order in the packing, as opposed to only local ordering. In addition, we find deposits of particles to involve considerably less randomness than generally presumed.

  9. Numerical Calculation of Distribution of Induced Carge Density on Planar Confined Surfaces

    International Nuclear Information System (INIS)

    Bolotov, V.; Druzhchenko, R.; Karazin, V.; Lominadze, J.; Kharadze, F.

    2007-01-01

    The calculation method of distribution of induced charge density on planar surfaces, including fractal structures of Sierpinski carpet type, is propesed. The calculation scheme is based on the fact that simply connected conducting surface of arbitrary geometry is an equipotential surface. (author)

  10. Simultaneous solution of the geoid and the surface density anomalies

    Science.gov (United States)

    Ardalan, A. A.; Safari, A.; Karimi, R.; AllahTavakoli, Y.

    2012-04-01

    The main application of the land gravity data in geodesy is "local geoid" or "local gravity field" modeling, whereas the same data could play a vital role for the anomalous mass-density modeling in geophysical explorations. In the realm of local geoid computations based on Geodetic Boundary Value Problems (GBVP), it is needed that the effect of the topographic (or residual terrain) masses be removed via application of the Newton integral in order to perform the downward continuation in a harmonic space. However, harmonization of the downward continuation domain may not be perfectly possible unless accurate information about the mass-density of the topographic masses be available. On the other hand, from the exploration point of view the unwanted topographical masses within the aforementioned procedure could be regarded as the signal. In order to overcome the effect of the remaining masses within the remove step of the GBVP, which cause uncertainties in mathematical modeling of the problem, here we are proposing a methodology for simultaneous solution of the geoid and residual surface density modeling In other words, a new mathematical model will be offered which both provides the needed harmonic space for downward continuation and at the same time accounts for the non-harmonic terms of gravitational field and makes use of it for residual mass density modeling within the topographic region. The presented new model enjoys from uniqueness of the solution, opposite to the inverse application of the Newton integral for mass density modeling which is non-unique, and only needs regularization to remove its instability problem. In this way, the solution of the model provides both the incremental harmonic gravitational potential on surface of the reference ellipsoid as the gravity field model and the lateral surface mass-density variations via the second derivatives of the non harmonic terms of gravitational field. As the case study and accuracy verification, the proposed

  11. Density functional theory in surface science and heterogeneous catalysis

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

    2006-01-01

    Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

  12. Enhancement of multiple cranial and spinal nerves in vanishing white matter: expanding the differential diagnosis.

    Science.gov (United States)

    Eluvathingal Muttikkal, Thomas Jose; Montealegre, Denia Ramirez; Matsumoto, Julie Ann

    2018-03-01

    Abnormal cranial or spinal nerve contrast enhancement on MRI in cases of suspected pediatric leukodystrophy is recognized as an important clue to the diagnosis of either metachromatic leukodystrophy or globoid cell leukodystrophy (Krabbe disease). We report a case of genetically confirmed childhood vanishing white matter with enhancement of multiple cranial and spinal nerves in addition to the more typical intracranial findings. This case expands the limited differential diagnosis of cranial nerve or spinal nerve enhancement in cases of suspected leukodystrophy and may aid in more efficient work-up and earlier diagnosis of vanishing white matter.

  13. Vanishing twin syndrome among ART singletons and pregnancy outcomes.

    Science.gov (United States)

    Magnus, Maria C; Ghaderi, Sara; Morken, Nils-Halvdan; Magnus, Per; Bente Romundstad, Liv; Skjærven, Rolv; Wilcox, Allen J; Eldevik Håberg, Siri

    2017-11-01

    Among babies born by ART, do singleton survivors of a vanishing twin have lower birth weight than other singletons? Vanishing twin syndrome (VTS) was associated with lower birth weight among ART singletons; a sibship analysis indicated that the association was not confounded by maternal characteristics that remain stable between deliveries. Previous studies indicate that ART singletons with VTS have increased risk of adverse pregnancy outcomes, compared with other ART singletons. The potential contribution of unmeasured maternal background characteristics has been unclear. This was a Norwegian population-based registry study, including 17 368 mothers with 20 410 ART singleton deliveries between January 1984 and December 2013. The study population included 17 291 ART singletons without VTS, 638 ART singletons with VTS and 2418 ART singletons with uncertain vanishing twin status. We estimated differences in birth weight and gestational age comparing ART singletons with VTS first to all ART singletons without VTS, and subsequently to their ART siblings without VTS, using random- and fixed-effects linear regression, respectively. The corresponding comparisons for the associations with preterm birth and small for gestational age (SGA) were conducted using random-and fixed-effects logistic regression. The sibling analysis of preterm birth included 587 discordant siblings, while the sibling analysis of SGA included 674 discordant siblings. ART singletons with VTS had lower birth weight when compared to all ART singletons without VTS, with an adjusted mean difference (95% CI) of -116 g (-165, -67). When we compared ART singletons with VTS to their ART singletons sibling without VTS, the adjusted mean difference was -112 g (-209, -15). ART singletons with VTS also had increased risk of being born SGA, with an adjusted odds ratio (OR) (95% CI) of 1.48 (1.07, 2.03) compared to all ART singletons without VTS, and 2.79 (1.12, 6.91) in the sibship analyses. ART singletons with

  14. Tunneling spectroscopy on semiconductors with a low surface state density

    OpenAIRE

    Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

    1997-01-01

    A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

  15. Surface density mapping of natural tissue by a scanning haptic microscope (SHM).

    Science.gov (United States)

    Moriwaki, Takeshi; Oie, Tomonori; Takamizawa, Keiichi; Murayama, Yoshinobu; Fukuda, Toru; Omata, Sadao; Nakayama, Yasuhide

    2013-02-01

    To expand the performance capacity of the scanning haptic microscope (SHM) beyond surface mapping microscopy of elastic modulus or topography, surface density mapping of a natural tissue was performed by applying a measurement theory of SHM, in which a frequency change occurs upon contact of the sample surface with the SHM sensor - a microtactile sensor (MTS) that vibrates at a pre-determined constant oscillation frequency. This change was mainly stiffness-dependent at a low oscillation frequency and density-dependent at a high oscillation frequency. Two paragon examples with extremely different densities but similar macroscopic elastic moduli in the range of natural soft tissues were selected: one was agar hydrogels and the other silicon organogels with extremely low (less than 25 mg/cm(3)) and high densities (ca. 1300 mg/cm(3)), respectively. Measurements were performed in saline solution near the second-order resonance frequency, which led to the elastic modulus, and near the third-order resonance frequency. There was little difference in the frequency changes between the two resonance frequencies in agar gels. In contrast, in silicone gels, a large frequency change by MTS contact was observed near the third-order resonance frequency, indicating that the frequency change near the third-order resonance frequency reflected changes in both density and elastic modulus. Therefore, a density image of the canine aortic wall was subsequently obtained by subtracting the image observed near the second-order resonance frequency from that near the third-order resonance frequency. The elastin-rich region had a higher density than the collagen-rich region.

  16. Improving Frozen Precipitation Density Estimation in Land Surface Modeling

    Science.gov (United States)

    Sparrow, K.; Fall, G. M.

    2017-12-01

    The Office of Water Prediction (OWP) produces high-value water supply and flood risk planning information through the use of operational land surface modeling. Improvements in diagnosing frozen precipitation density will benefit the NWS's meteorological and hydrological services by refining estimates of a significant and vital input into land surface models. A current common practice for handling the density of snow accumulation in a land surface model is to use a standard 10:1 snow-to-liquid-equivalent ratio (SLR). Our research findings suggest the possibility of a more skillful approach for assessing the spatial variability of precipitation density. We developed a 30-year SLR climatology for the coterminous US from version 3.22 of the Daily Global Historical Climatology Network - Daily (GHCN-D) dataset. Our methods followed the approach described by Baxter (2005) to estimate mean climatological SLR values at GHCN-D sites in the US, Canada, and Mexico for the years 1986-2015. In addition to the Baxter criteria, the following refinements were made: tests were performed to eliminate SLR outliers and frequent reports of SLR = 10, a linear SLR vs. elevation trend was fitted to station SLR mean values to remove the elevation trend from the data, and detrended SLR residuals were interpolated using ordinary kriging with a spherical semivariogram model. The elevation values of each station were based on the GMTED 2010 digital elevation model and the elevation trend in the data was established via linear least squares approximation. The ordinary kriging procedure was used to interpolate the data into gridded climatological SLR estimates for each calendar month at a 0.125 degree resolution. To assess the skill of this climatology, we compared estimates from our SLR climatology with observations from the GHCN-D dataset to consider the potential use of this climatology as a first guess of frozen precipitation density in an operational land surface model. The difference in

  17. Nonsimilar Solution for Shock Waves in a Rotational Axisymmetric Perfect Gas with a Magnetic Field and Exponentially Varying Density

    Science.gov (United States)

    Nath, G.; Sinha, A. K.

    2017-01-01

    The propagation of a cylindrical shock wave in an ideal gas in the presence of a constant azimuthal magnetic field with consideration for the axisymmetric rotational effects is investigated. The ambient medium is assumed to have the radial, axial, and azimuthal velocity components. The fluid velocities and density of the ambient medium are assumed to vary according to an exponential law. Nonsimilar solutions are obtained by taking into account the vorticity vector and its components. The dependences of the characteristics of the problem on the Alfven-Mach number and time are obtained. It is shown that the presence of a magnetic field has a decaying effect on the shock wave. The pressure and density are shown to vanish at the inner surface (piston), and hence a vacuum forms at the line of symmetry.

  18. Review of Global Ocean Intermediate Water Masses: 1.Part A,the Neutral Density Surface (the 'McDougall Surface') as a Study Frame for Water-Mass Analysis

    Institute of Scientific and Technical Information of China (English)

    Yuzhu You

    2006-01-01

    This review article commences with a comprehensive historical review of the evolution and application of various density surfaces in atmospheric and oceanic studies.The background provides a basis for the birth of the neutral density idea.Attention is paid to the development of the neutral density surface concept from the nonlinearity of the equation of state of seawater.The definition and properties of neutral density surface are described in detail as developed from the equations of state of seawater and the buoyancy frequency when the squared buoyancy frequency N2 is zero, a neutral state of stability.In order to apply the neutral density surface to intermediate water-mass analysis, this review also describes in detail its practical oceanographic application.The mapping technique is focused for the first time on applying regularly gridded data in this review.It is reviewed how a backbone and ribs framework was designed to flesh out from a reference cast and first mapped the global neutral surfaces in the world's oceans.Several mapped neutral density surfaces are presented as examples for each world ocean.The water-mass property is analyzed in each ocean at mid-depth.The characteristics of neutral density surfaces are compared with those of potential density surfaces.

  19. Near-surface bulk densities of asteroids derived from dual-polarization radar observations

    Science.gov (United States)

    Virkki, A.; Taylor, P. A.; Zambrano-Marin, L. F.; Howell, E. S.; Nolan, M. C.; Lejoly, C.; Rivera-Valentin, E. G.; Aponte, B. A.

    2017-09-01

    We present a new method to constrain the near-surface bulk density and surface roughness of regolith on asteroid surfaces using planetary radar measurements. The number of radar observations has increased rapidly during the last five years, allowing us to compare and contrast the radar scattering properties of different small-body populations and compositional types. This provides us with new opportunities to investigate their near-surface physical properties such as the chemical composition, bulk density, porosity, or the structural roughness in the scale of centimeters to meters. Because the radar signal can penetrate into a planetary surface up to a few decimeters, radar can reveal information that is hidden from other ground-based methods, such as optical and infrared measurements. The near-surface structure of asteroids and comets in centimeter-to-meter scale is essential information for robotic and human space missions, impact threat mitigation, and understanding the history of these bodies as well as the formation of the whole Solar System.

  20. VANISHING CALCIFICATION OF THE BRAIN IN AN INFANT AFTER OPEN-HEART-SURGERY

    NARCIS (Netherlands)

    BEGEER, JH; RUTGERS, AWF; VENCKEN, LM; HOORNTJE, TM; MEUZELAAR, JJ; WOLTERSOMZWIERZYNSKA, BD

    1991-01-01

    Neurological complications after cardiac operations with the aid of cardiopulmonary bypass and hypothermia are well known. A 6 months-old child is described with severe neurological complications after cardiac surgery for Fallots tetralogy. On the CT scan cortical calcification was seen to vanish.

  1. Novel method for the simultaneous estimation of density and surface tension of liquids

    International Nuclear Information System (INIS)

    Thirunavukkarasu, G.; Srinivasan, G.J.

    2003-01-01

    The conventional Hare's apparatus generally used for the determination of density of liquids has been modified by replacing its vertical arms (glass tubes) with capillary tubes of 30 cm length and 0.072 cm diameter. When the columns of liquids are drawn through the capillary tubes with reduced pressure at the top of the liquid columns and kept at equilibrium with the atmospheric pressure acting on the liquid surface outside the capillary tubes, the downward pressure due to gravity of the liquid columns has to be coupled with the pressure arising due to the effect of surface tension of the liquids. A fresh expression for the density and surface tension of liquids has been arrived at while equating the pressure balancing system for the two individual liquid columns of the modified Hare's apparatus. The experimental results showed that the proposed method is precise and accurate in the simultaneous estimation of density and surface tension of liquids, with an error of less than 5%

  2. X-Ray Fluorescence Determination of the Surface Density of Chromium Nanolayers

    Science.gov (United States)

    Mashin, N. I.; Chernjaeva, E. A.; Tumanova, A. N.; Ershov, A. A.

    2014-01-01

    An auxiliary system consisting of thin-film layers of chromium deposited on a polymer film substrate is used to construct calibration curves for the relative intensities of the K α lines of chromium on bulk substrates of different elements as functions of the chromium surface density in the reference samples. Correction coefficients are calculated to take into account the absorption of primary radiation from an x-ray tube and analytical lines of the constituent elements of the substrate. A method is developed for determining the surface density of thin films of chromium when test and calibration samples are deposited on substrates of different materials.

  3. Scanning tunnelling microscope imaging of nanoscale electron density gradients on the surface of GaAs

    International Nuclear Information System (INIS)

    Hamilton, B; Jacobs, J; Missous, M

    2003-01-01

    This paper is concerned with the scanning tunnelling microscope tunnelling conditions needed to produce constant current images dominated either by surface topology or by electronic effects. A model experimental structure was produced by cleaving a GaAs multiδ-doped layer in UHV and so projecting a spatially varying electron gas density onto the (110) surface. This cross sectional electron density varies on a nanometre scale in the [100] growth direction. The electronic structure and tunnelling properties of this system were modelled, and the tunnelling conditions favouring sensitivity to the surface electron gas density determined

  4. Compactification over coset spaces with torsion and vanishing cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Batakis, N.A.; Farakos, K.; Koutsoumbas, G.; Zoupanos, G.; Kapetanakis, D.

    1989-04-13

    We consider the compactification of ten-dimensional Einstein-Yang-Mills theories over non-symmetric, six-dimensional homogeneous coset spaces with torsion. We examine the Einstein-Yang-Mills equations of motion requiring vanishing cosmological constant at ten and four dimensions and we present examples of compactifying solutions. It appears that the introduction of more than one radii in the coset space, when possible, may be mandatory for the existence of compactifying solutions.

  5. Density functional studies: First principles and semiempirical calculations of clusters and surfaces

    International Nuclear Information System (INIS)

    Sinnott, S.B.

    1993-01-01

    In the research presented here, various theoretical electronic structure techniques are utilized to analyze widely different systems from silicon clusters to transition metal solids and surfaces. For the silicon clusters, first principles density functional methods are used to investigate Si N for N = 2-8. The goal is to understand the different types of bonding that can occur in such small clusters where the coordination of the atoms differs substantially from that of the stable bulk tetrahedral bonding. Such uncoordinated structures can provide a good test of more approximate theories that can be used eventually to model silicon surfaces, of obvious technological importance. For the transition metal systems, non-self-consistent electronic structure methods are used to provide an understanding of the driving force for surface relaxations. An in-depth analysis of the results is presented and the physical basis of surface relaxation within the theory is discussed. In addition, the limitations inherent in calculations of metal surface relaxation are addressed. Finally, in an effort to increase understanding of approximate methods, a novel non-self-consistent density functional electronic structure method is developed that is ∼1000 times faster computationally than more sophisticated methods. This new method is tested for a variety of systems including diatomics, mixed clusters, surfaces and bulk lattices. The strengths and weaknesses of the new theory are discussed in detail, leading to greater understanding of non-self-consistent density functional theories as a whole

  6. Chern-Simons term at finite density and temperature

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Shevchenko, O.Yu.; Solganik, S.B.

    1997-01-01

    The Chern-Simons topological term dynamical generation in the effective action is obtained at arbitrary finite density and temperature. By using the proper time method and perturbation theory it is shown that at zero temperature μ 2 = m 2 is the crucial point for Chern-Simons term. So when μ 2 2 , μ influence disappears and we get the usual Chern-Simons term. On the other hand, when μ 2 > m 2 , the Chern-Simons term vanishes because of nonzero density of background fermions. In particular for massless case parity anomaly is absent at any finite density or temperature. This result holds in any odd dimension both in Abelian and in non-Abelian cases

  7. Surface density: a new parameter in the fundamental metallicity relation of star-forming galaxies

    Science.gov (United States)

    Hashimoto, Tetsuya; Goto, Tomotsugu; Momose, Rieko

    2018-04-01

    Star-forming galaxies display a close relation among stellar mass, metallicity, and star formation rate (or molecular-gas mass). This is known as the fundamental metallicity relation (FMR) (or molecular-gas FMR), and it has a profound implication on models of galaxy evolution. However, there still remains a significant residual scatter around the FMR. We show here that a fourth parameter, the surface density of stellar mass, reduces the dispersion around the molecular-gas FMR. In a principal component analysis of 29 physical parameters of 41 338 star-forming galaxies, the surface density of stellar mass is found to be the fourth most important parameter. The new 4D fundamental relation forms a tighter hypersurface that reduces the metallicity dispersion to 50 per cent of that of the molecular-gas FMR. We suggest that future analyses and models of galaxy evolution should consider the FMR in a 4D space that includes surface density. The dilution time-scale of gas inflow and the star-formation efficiency could explain the observational dependence on surface density of stellar mass.

  8. Diffuse Surface Scattering in the Plasmonic Resonances of Ultralow Electron Density Nanospheres.

    Science.gov (United States)

    Monreal, R Carmina; Antosiewicz, Tomasz J; Apell, S Peter

    2015-05-21

    Localized surface plasmon resonances (LSPRs) have recently been identified in extremely diluted electron systems obtained by doping semiconductor quantum dots. Here, we investigate the role that different surface effects, namely, electronic spill-out and diffuse surface scattering, play in the optical properties of these ultralow electron density nanosystems. Diffuse scattering originates from imperfections or roughness at a microscopic scale on the surface. Using an electromagnetic theory that describes this mechanism in conjunction with a dielectric function including the quantum size effect, we find that the LSPRs show an oscillatory behavior in both position and width for large particles and a strong blue shift in energy and an increased width for smaller radii, consistent with recent experimental results for photodoped ZnO nanocrystals. We thus show that the commonly ignored process of diffuse surface scattering is a more important mechanism affecting the plasmonic properties of ultralow electron density nanoparticles than the spill-out effect.

  9. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  10. Grafting and Poisson Structure in (2+1)-Gravity with Vanishing Cosmological Constant

    Science.gov (United States)

    Meusburger, C.

    2006-09-01

    We relate the geometrical construction of (2+1)-spacetimes via grafting to phase space and Poisson structure in the Chern-Simons formulation of (2+1)-dimensional gravity with vanishing cosmological constant on manifolds of topology mathbb{R} × S_g, where S g is an orientable two-surface of genus g>1. We show how grafting along simple closed geodesics λ is implemented in the Chern-Simons formalism and derive explicit expressions for its action on the holonomies of general closed curves on S g .We prove that this action is generated via the Poisson bracket by a gauge invariant observable associated to the holonomy of λ. We deduce a symmetry relation between the Poisson brackets of observables associated to the Lorentz and translational components of the holonomies of general closed curves on S g and discuss its physical interpretation. Finally, we relate the action of grafting on the phase space to the action of Dehn twists and show that grafting can be viewed as a Dehn twist with a formal parameter θ satisfying θ2 = 0.

  11. Low density lipoprotein sensor based on surface plasmon resonance

    International Nuclear Information System (INIS)

    Matharu, Zimple; Sumana, G.; Pandey, M.K.; Gupta, Vinay; Malhotra, B.D.

    2009-01-01

    Biotinylated heparin has been immobilized onto self-assembled monolayer of 4-aminothiophenol using avidin-biotin specific binding. The modified electrodes have been characterized using surface plasmon resonance technique (SPR), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and contact angle (CA) measurements. The interaction of immobilized biotinylated heparin with low density lipoprotein (LDL) has been studied using surface plasmon resonance technique. The biotinylated heparin modified electrode can be used to detect LDL in the range of 20 to 100 mg/dl with the sensitivity of 513.3 m o /μM.

  12. Low density lipoprotein sensor based on surface plasmon resonance

    Energy Technology Data Exchange (ETDEWEB)

    Matharu, Zimple [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India); Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India); Sumana, G.; Pandey, M.K. [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India); Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India); Malhotra, B.D., E-mail: bansi.malhotra@gmail.co [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India)

    2009-11-30

    Biotinylated heparin has been immobilized onto self-assembled monolayer of 4-aminothiophenol using avidin-biotin specific binding. The modified electrodes have been characterized using surface plasmon resonance technique (SPR), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and contact angle (CA) measurements. The interaction of immobilized biotinylated heparin with low density lipoprotein (LDL) has been studied using surface plasmon resonance technique. The biotinylated heparin modified electrode can be used to detect LDL in the range of 20 to 100 mg/dl with the sensitivity of 513.3 m{sup o}/{mu}M.

  13. Surface tension and density of fusible metal melt with sulphur and selenium

    International Nuclear Information System (INIS)

    Najdich, Yu.V.; Krasovskij, Yu.P.; Chuvashov, Yu.N.

    1990-01-01

    Surface tension and density at 970 K have been determined for melts of Ga, In, Sn and Pb with S and Se. High surface activity of chalcogens in the melts has been found. A maximal adsorption of the active components and their ultimate surface activity that correlate with thermodinamical strength of the corresponding sulfides and selenides have been calculated

  14. Compactification over coset spaces with torsion and vanishing cosmological constant

    International Nuclear Information System (INIS)

    Batakis, N.A.

    1989-01-01

    We consider the compactification of ten-dimensional Einstein-Yang-Mills theories over non-symmetric, six-dimensional homogeneous coset spaces with torsion. We examine the Einstein-Yang-Mills equations of motion requiring vanishing cosmological constant at ten and four dimensions and we present examples of compactifying solutions. It appears that the introduction of more than one radii in the coset space, when possible, may be mandatory for the existence of compactifying solutions. (orig.)

  15. Chiral and parity anomalies at finite temperature and density

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Shevchenko, O.Yu.; Solganik, S.B.

    1997-01-01

    Two closely related topological phenomena are studied at finite density and temperature. These are chiral anomaly and Chern-Simons term. By using different methods it is shown that μ 2 =m 2 is the crucial point for Chern-Simons term at zero temperature. So when μ 2 2 , μ influence disappears and we get the usual Chern-Simons term. On the other hand, when μ 2 >m 2 , the Chern-Simons term vanishes because of nonzero density of background fermions. It occurs that the chiral anomaly doesn't depend on density and temperature. The connection between parity anomalous Chern-Simons term and chiral anomaly is generalized on finite density. These results hold in any dimension both in Abelian and in non-Abelian cases

  16. Long Time Evolution of Populations under Selection and Vanishing Mutations

    KAUST Repository

    Raoul, Gaë l

    2011-01-01

    In this paper, we consider a long time and vanishing mutations limit of an integro-differential model describing the evolution of a population structured with respect to a continuous phenotypic trait. We show that the asymptotic population is a steady-state of the evolution equation without mutations, and satisfies an evolutionary stability condition. © 2011 Springer Science+Business Media B.V.

  17. Long Time Evolution of Populations under Selection and Vanishing Mutations

    KAUST Repository

    Raoul, Gaël

    2011-02-08

    In this paper, we consider a long time and vanishing mutations limit of an integro-differential model describing the evolution of a population structured with respect to a continuous phenotypic trait. We show that the asymptotic population is a steady-state of the evolution equation without mutations, and satisfies an evolutionary stability condition. © 2011 Springer Science+Business Media B.V.

  18. Surface Casimir densities and induced cosmological constant in higher dimensional braneworlds

    International Nuclear Information System (INIS)

    Saharian, Aram A.

    2006-01-01

    We investigate the vacuum expectation value of the surface energy-momentum tensor for a massive scalar field with general curvature coupling parameter obeying the Robin boundary conditions on two codimension one parallel branes in a (D+1)-dimensional background spacetime AdS D 1 +1 xΣ with a warped internal space Σ. These vacuum densities correspond to a gravitational source of the cosmological constant type for both subspaces of the branes. Using the generalized zeta function technique in combination with contour integral representations, the surface energies on the branes are presented in the form of the sum of single-brane and second-brane-induced parts. For the geometry of a single brane both regions, on the left and on the right of the brane, are considered. At the physical point the corresponding zeta functions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total zeta function is finite. The renormalization procedure for the surface energies and the structure of the corresponding counterterms are discussed. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation and are investigated in various asymptotic regions of the parameters. In particular, it is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. The total energy of the vacuum including the bulk and boundary contributions is evaluated by the zeta function technique and the energy balance between separate parts is discussed

  19. A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal

    International Nuclear Information System (INIS)

    Evans, R.; Kumaravadivel, R.

    1976-01-01

    A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)

  20. Reduced one-body density matrix of Tonks–Girardeau gas at finite temperature

    International Nuclear Information System (INIS)

    Fu Xiao-Chen; Hao Ya-Jiang

    2015-01-01

    With thermal Bose–Fermi mapping method, we investigate the Tonks–Girardeau gas at finite temperature. It is shown that at low temperature, the Tonks gas displays the Fermi-like density profiles, and with the increase in temperature, the Tonks gas distributes in wider region. The reduced one-body density matrix is diagonal dominant in the whole temperature region, and the off-diagonal elements shall vanish rapidly with the deviation from the diagonal part at high temperature. (paper)

  1. Influence of additive laser manufacturing parameters on surface using density of partially melted particles

    Science.gov (United States)

    Rosa, Benoit; Brient, Antoine; Samper, Serge; Hascoët, Jean-Yves

    2016-12-01

    Mastering the additive laser manufacturing surface is a real challenge and would allow functional surfaces to be obtained without finishing. Direct Metal Deposition (DMD) surfaces are composed by directional and chaotic textures that are directly linked to the process principles. The aim of this work is to obtain surface topographies by mastering the operating process parameters. Based on experimental investigation, the influence of operating parameters on the surface finish has been modeled. Topography parameters and multi-scale analysis have been used in order to characterize the DMD obtained surfaces. This study also proposes a methodology to characterize DMD chaotic texture through topography filtering and 3D image treatment. In parallel, a new parameter is proposed: density of particles (D p). Finally, this study proposes a regression modeling between process parameters and density of particles parameter.

  2. Local invariants vanishing on stationary horizons: a diagnostic for locating black holes.

    Science.gov (United States)

    Page, Don N; Shoom, Andrey A

    2015-04-10

    Inspired by the example of Abdelqader and Lake for the Kerr metric, we construct local scalar polynomial curvature invariants that vanish on the horizon of any stationary black hole: the squared norms of the wedge products of n linearly independent gradients of scalar polynomial curvature invariants, where n is the local cohomogeneity of the spacetime.

  3. Anisotropic dynamic mass density for fluidsolid composites

    KAUST Repository

    Wu, Ying

    2012-10-01

    By taking the low frequency limit of multiple-scattering theory, we obtain the dynamic effective mass density of fluidsolid composites with a two-dimensional rectangular lattice structure. The anisotropic mass density can be described by an angle-dependent dipole solution, to the leading-order of solid concentration. The angular dependence vanishes for the square lattice, but at high solid concentrations there is a structure-dependent factor that contributes to the leading-order solution. In all cases, Woods formula is found to be accurately valid for the effective bulk modulus, independent of the structures. Numerical evaluations from the solutions are shown to be in excellent agreement with finite-element simulations. © 2012 Elsevier B.V.

  4. Deposition of thin films and surface modification by pulsed high energy density plasma

    International Nuclear Information System (INIS)

    Yan Pengxun; Yang Size

    2002-01-01

    The use of pulsed high energy density plasma is a new low temperature plasma technology for material surface treatment and thin film deposition. The authors present detailed theoretical and experimental studies of the production mechanism and physical properties of the pulsed plasma. The basic physics of the pulsed plasma-material interaction has been investigated. Diagnostic measurements show that the pulsed plasma has a high electron temperature of 10-100 eV, density of 10 14 -10 16 cm -3 , translation velocity of ∼10 -7 cm/s and power density of ∼10 4 W/cm 2 . Its use in material surface treatment combines the effects of laser surface treatment, electron beam treatment, shock wave bombardment, ion implantation, sputtering deposition and chemical vapor deposition. The metastable phase and other kinds of compounds can be produced on low temperature substrates. For thin film deposition, a high deposition ratio and strong film to substrate adhesion can be achieved. The thin film deposition and material surface modification by the pulsed plasma and related physical mechanism have been investigated. Thin film c-BN, Ti(CN), TiN, DLC and AlN materials have been produced successfully on various substrates at room temperature. A wide interface layer exists between film and substrate, resulting in strong adhesion. Metal surface properties can be improved greatly by using this kind of treatment

  5. Effect of reacting surface density on the overall graphite oxidation rate

    International Nuclear Information System (INIS)

    Oh, Chang; Kim, Eung; Lim, Jong; Schultz, Richard; Petti, David

    2009-01-01

    Graphite oxidation in an air-ingress accident is presently a very important issue for the reactor safety of the very high temperature gas cooled-reactor (VHTR), the concept of the next generation nuclear plant (NGNP) because of its potential problems such as mechanical degradation of the supporting graphite in the lower plenum of the VHTR might lead to core collapse if the countermeasure is taken carefully. The oxidation process of graphite has known to be affected by various factors, including temperature, pressure, oxygen concentration, types of graphite, graphite shape and size, flow distribution, etc. However, our recent study reveals that the internal pore characteristics play very important roles in the overall graphite oxidation rate. One of the main issues regarding graphite oxidation is the potential core collapse problem that may occur following the degradation of graphite mechanical strength. In analyzing this phenomenon, it is very important to understand the relationship between the degree of oxidization and strength degradation. In addition, the change of oxidation rate by graphite oxidation degree characterization by burn-off (ratio of the oxidized graphite density to the original density) should be quantified because graphite strength degradation is followed by graphite density decrease, which highly affects oxidation rates and patterns. Because the density change is proportional to the internal pore surface area, they should be quantified in advance. In order to understand the above issues, the following experiments were performed: (1) Experiment on the fracture of the oxidized graphite and validation of the previous correlations, (2) Experiment on the change of oxidation rate using graphite density and data collection, (3) Measure the BET surface area of the graphite. The experiments were performed using H451 (Great Lakes Carbon Corporation) and IG-110 (Toyo Tanso Co., Ltd) graphite. The reason for the use of those graphite materials is because

  6. Static correlation lengths in QCD at high temperatures and finite densities

    CERN Document Server

    Hart, A; Philipsen, O

    2000-01-01

    We use a perturbatively derived effective field theory and three-dimensional lattice simulations to determine the longest static correlation lengths in the deconfined QCD plasma phase at high temperatures (T\\gsim 2 Tc) and finite densities (\\mu\\lsim 4 T). For vanishing chemical potential, we refine a previous determination of the Debye screening length, and determine the dependence of different correlation lengths on the number of massless flavours as well as on the number of colours. For non-vanishing but small chemical potential, the existence of Debye screening allows us to carry out simulations corresponding to the full QCD with two (or three) massless dynamical flavours, in spite of a complex action. We investigate how the correlation lengths in the different quantum number channels change as the chemical potential is switched on.

  7. Nanofriction: Skating on hot surfaces

    Science.gov (United States)

    Meyer, Ernst; Gnecco, Enrico

    2007-03-01

    Simulations of nanoscale sharp tips sliding on a salt surface predict vanishing friction at temperatures close to the melting temperature, as the tip skates on a layer of liquefied salt. This insight opens the way to applications in MEMS, NEMS and auto/aerospace engines.

  8. Metrics with vanishing quantum corrections

    International Nuclear Information System (INIS)

    Coley, A A; Hervik, S; Gibbons, G W; Pope, C N

    2008-01-01

    We investigate solutions of the classical Einstein or supergravity equations that solve any set of quantum corrected Einstein equations in which the Einstein tensor plus a multiple of the metric is equated to a symmetric conserved tensor T μν (g αβ , ∂ τ g αβ , ∂ τ ∂ σ g αβ , ...,) constructed from sums of terms, the involving contractions of the metric and powers of arbitrary covariant derivatives of the curvature tensor. A classical solution, such as an Einstein metric, is called universal if, when evaluated on that Einstein metric, T μν is a multiple of the metric. A Ricci flat classical solution is called strongly universal if, when evaluated on that Ricci flat metric, T μν vanishes. It is well known that pp-waves in four spacetime dimensions are strongly universal. We focus attention on a natural generalization; Einstein metrics with holonomy Sim(n - 2) in which all scalar invariants are zero or constant. In four dimensions we demonstrate that the generalized Ghanam-Thompson metric is weakly universal and that the Goldberg-Kerr metric is strongly universal; indeed, we show that universality extends to all four-dimensional Sim(2) Einstein metrics. We also discuss generalizations to higher dimensions

  9. On the vanishing electron-mass limit in plasma hydrodynamics in unbounded media

    Czech Academy of Sciences Publication Activity Database

    Donatelli, D.; Feireisl, Eduard; Novotný, A.

    2012-01-01

    Roč. 22, č. 6 (2012), s. 985-1012 ISSN 0938-8974 R&D Projects: GA ČR GA201/09/0917 Institutional research plan: CEZ:AV0Z10190503 Keywords : vanishing electron mass limit * plasma hydrodynamics * compressible fluid Subject RIV: BA - General Mathematics Impact factor: 1.566, year: 2012 http://link.springer.com/article/10.1007%2Fs00332-012-9134-5

  10. Simulation of flame surface density and burning rate of a premixed turbulent flame using contour advection

    Energy Technology Data Exchange (ETDEWEB)

    Tang, B.H.Y.; Chan, C.K. [Department of Applied Mathematics, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong)

    2006-10-15

    In this paper, a 2-dimensional rod-stabilized V-shaped flame is simulated using contour advection with surgery as well as the random vortex method. Effects of turbulence on various quantities, such as flame brush thickness and flame surface density, are investigated. The flame surface density S is estimated using the Bray-Moss-Libby formulation, which involves the use of a mean orientation factor {sigma}{sub c}. As a comparison, values of S are also obtained using Shepherd's model, which employs the values of mean flame surface area and mean flame length. Local flame structure is characterized in terms of turbulent flame brush, orientation factor, and flame surface density. Profiles of S obtained using the two different models are compared and show that discrepancy is more evident with increasing turbulence intensity. (author)

  11. A combinatorial method for the vanishing of the Poisson brackets of an integrable Lotka-Volterra system

    International Nuclear Information System (INIS)

    Itoh, Yoshiaki

    2009-01-01

    The combinatorial method is useful to obtain conserved quantities for some nonlinear integrable systems, as an alternative to the Lax representation method. Here we extend the combinatorial method and introduce an elementary geometry to show the vanishing of the Poisson brackets of the Hamiltonian structure for a Lotka-Volterra system of competing species. We associate a set of points on a circle with a set of species of the Lotka-Volterra system, where the dominance relations between points are given by the dominance relations between the species. We associate each term of the conserved quantities with a subset of points on the circle, which simplifies to show the vanishing of the Poisson brackets

  12. A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

    Science.gov (United States)

    Hiemstra, Tjisse; Van Riemsdijk, Willem H.

    2009-08-01

    A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the mass density, the specific surface area, and the particle size are quantified. As derived theoretically, molecular mass and mass density of nanoparticles will depend on the types of surface groups and the corresponding site densities and will vary with particle size and surface area because of a relatively large contribution of the surface groups in comparison to the mineral core of nanoparticles. The nano-sized (˜2.6 nm) particles of freshly prepared 2-line Fh as a whole have an increased molar mass of M ˜ 101 ± 2 g/mol Fe, a reduced mass density of ˜3.5 ± 0.1 g/cm 3, both relatively to the mineral core. The specific surface area is ˜650 m 2/g. Six-line Fh (5-6 nm) has a molar mass of M ˜ 94 ± 2 g/mol, a mass density of ˜3.9 ± 0.1 g/cm 3, and a surface area of ˜280 ± 30 m 2/g. Data analysis shows that the mineral core of Fh has an average chemical composition very close to FeOOH with M ˜ 89 g/mol. The mineral core has a mass density around ˜4.15 ± 0.1 g/cm 3, which is between that of feroxyhyte, goethite, and lepidocrocite. These results can be used to constrain structural models for Fh. Singly-coordinated surface groups dominate the surface of ferrihydrite (˜6.0 ± 0.5 nm -2). These groups can be present in two structural configurations. In pairs, the groups either form the edge of a single Fe-octahedron (˜2.5 nm -2) or are present at a single corner (˜3.5 nm -2) of two adjacent Fe octahedra. These configurations can form bidentate surface complexes by edge- and double-corner sharing, respectively, and may therefore respond differently to the binding of ions such as uranyl, carbonate, arsenite, phosphate, and others. The relatively low PZC of

  13. K-correlation power spectral density and surface scatter model

    Science.gov (United States)

    Dittman, Michael G.

    2006-08-01

    The K-Correlation or ABC model for surface power spectral density (PSD) and BRDF has been around for years. Eugene Church and John Stover, in particular, have published descriptions of its use in describing smooth surfaces. The model has, however, remained underused in the optical analysis community partially due to the lack of a clear summary tailored toward that application. This paper provides the K-Correlation PSD normalized to σ(λ) and BRDF normalized to TIS(σ,λ) in a format intended to be used by stray light analysts. It is hoped that this paper will promote use of the model by analysts and its incorporation as a standard tool into stray light modeling software.

  14. Electron density in reasonably real metallic surfaces, including interchange and correlation effects

    International Nuclear Information System (INIS)

    Moraga, L.A.; Martinez, G.

    1981-01-01

    By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt

  15. Insertion torques influenced by bone density and surface roughness of HA–TiO{sub 2} coatings

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, T.; Chen, Y.; Nie, X., E-mail: xnie@uwindsor.ca

    2013-12-31

    Bio-ceramic TiO{sub 2} coatings containing calcium (Ca) and phosphorous (P) were deposited onto Ti–6Al–4V alloy screws using plasma electrolytic oxidation (PEO) processes in an alkaline electrolyte with hydroxyapatite (HA) suspension. Coating on each screw had different surface roughness and morphology. Insertion torque (IT) of the coated screws in low (10 pcf, pounds per cubic feet), medium–high (20 pcf), and high (40 pcf) density of artificial bones was measured in comparison with that of the uncoated and sandblasted screws having similar surface roughness. Higher insertion torques and final seating torques were obtained in the coated screws which may result in less micro-movement during the primary implantation stage and thus lower the risk of implant failure. Scanning electron microscopy (SEM) analysis indicated that all coatings still adhesively remained on the screw surfaces after inserted into the bones with different densities. The relationship between coefficient of friction and surface roughness was also addressed to better understand the results of insertion torque. It was found that a lower density bone (similar to aged bone) would need a surface-rougher coated screw to achieve a high torque while a high density bone can have a wide range of selections for surface roughness of the screw. - Highlights: • The insertion torque of PEO-coated screws is higher than machined and sandblasting implants. • Lower density bone needs a rougher coated implant to increase the insertion torque. • The composite HA–TiO{sub 2} coating could benefit dental implants in both primary and secondary stability stages.

  16. Meltwater storage in low-density near-surface bare ice in the Greenland ice sheet ablation zone

    Science.gov (United States)

    Cooper, Matthew G.; Smith, Laurence C.; Rennermalm, Asa K.; Miège, Clément; Pitcher, Lincoln H.; Ryan, Jonathan C.; Yang, Kang; Cooley, Sarah W.

    2018-03-01

    We document the density and hydrologic properties of bare, ablating ice in a mid-elevation (1215 m a.s.l.) supraglacial internally drained catchment in the Kangerlussuaq sector of the western Greenland ice sheet. We find low-density (0.43-0.91 g cm-3, μ = 0.69 g cm-3) ice to at least 1.1 m depth below the ice sheet surface. This near-surface, low-density ice consists of alternating layers of water-saturated, porous ice and clear solid ice lenses, overlain by a thin (sheet ablation zone surface. A conservative estimate for the ˜ 63 km2 supraglacial catchment yields 0.009-0.012 km3 of liquid meltwater storage in near-surface, porous ice. Further work is required to determine if these findings are representative of broader areas of the Greenland ice sheet ablation zone, and to assess the implications for sub-seasonal mass balance processes, surface lowering observations from airborne and satellite altimetry, and supraglacial runoff processes.

  17. Power Spectral Density Specification and Analysis of Large Optical Surfaces

    Science.gov (United States)

    Sidick, Erkin

    2009-01-01

    The 2-dimensional Power Spectral Density (PSD) can be used to characterize the mid- and the high-spatial frequency components of the surface height errors of an optical surface. We found it necessary to have a complete, easy-to-use approach for specifying and evaluating the PSD characteristics of large optical surfaces, an approach that allows one to specify the surface quality of a large optical surface based on simulated results using a PSD function and to evaluate the measured surface profile data of the same optic in comparison with those predicted by the simulations during the specification-derivation process. This paper provides a complete mathematical description of PSD error, and proposes a new approach in which a 2-dimentional (2D) PSD is converted into a 1-dimentional (1D) one by azimuthally averaging the 2D-PSD. The 1D-PSD calculated this way has the same unit and the same profile as the original PSD function, thus allows one to compare the two with each other directly.

  18. Vanishing calcification of the brain in an infant after open heart surgery

    Energy Technology Data Exchange (ETDEWEB)

    Begeer, J.H.; Rutgers, A.W.F. (Groningen Univ. Hospital (Netherlands). Dept. of Child Neurology); Vencken, L.M. (Groningen Univ. Hospital (Netherlands). Dept. of Neuroradiology); Hoorntje, T.M. (Groningen Univ. Hospital (Netherlands). Dept. of Pediatrics); Meuzelaar, J.J. (Groningen Univ. Hospital (Netherlands). Dept. of Thoracic Surgery); Woltersom-Zwierzynska, B.D. (Groningen Univ. Hospital (Netherlands). Dept. of Anaesthesia)

    1991-08-01

    Neurological complications after cardiac operations with the aid of cardiopulmonary bypass and hypothermia are well known. A 6 months-old child is described with severe neurological complications after cardiac surgery for Fallots tetralogy. On the CT scan cortical calcification was seen to vanish. Such calcification has not been reported in similar patients. Possible causes are discussed but the precise pathophysiology of this phenomenon remains unclear. (orig.).

  19. Vanishing calcification of the brain in an infant after open heart surgery

    International Nuclear Information System (INIS)

    Begeer, J.H.; Rutgers, A.W.F.; Vencken, L.M.; Hoorntje, T.M.; Meuzelaar, J.J.; Woltersom-Zwierzynska, B.D.

    1991-01-01

    Neurological complications after cardiac operations with the aid of cardiopulmonary bypass and hypothermia are well known. A 6 months-old child is described with severe neurological complications after cardiac surgery for Fallots tetralogy. On the CT scan cortical calcification was seen to vanish. Such calcification has not been reported in similar patients. Possible causes are discussed but the precise pathophysiology of this phenomenon remains unclear. (orig.)

  20. Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention

    International Nuclear Information System (INIS)

    Buzi, Luxherta; Temmerman, Greg De; Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker; Oost, Guido Van; Möller, Sören

    2014-01-01

    Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10 23 D + /m 2 s and low: 9 · 10 21 D + /m 2 s). Particle fluence and ion energy, respectively 10 26 D + /m 2 and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion

  1. Surface-plasmon dispersion relation for the inhomogeneous charge-density medium

    International Nuclear Information System (INIS)

    Harsh, O.K.; Agarwal, B.K.

    1989-01-01

    The surface-plasmon dispersion relation is derived for the plane-bounded electron gas when there is an inhomogeneous charge-density distribution in the plasma. The hydrodynamical model is used. Both cphi and dcphi/dx are taken to be continuous at the surface of the slab, where cphi is the scalar potential. The dispersion relation is compared with the theoretical works of Stern and Ferrell and of Harsh and Agarwal. It is also compared with the observations of Kunz. A dispersion relation for the volume-plasmon oscillations is derived which resembles the well-known relation of Bohm and Pines

  2. Surface Casimir densities and induced cosmological constant on parallel branes in AdS spacetime

    International Nuclear Information System (INIS)

    Saharian, Aram A.

    2004-01-01

    Vacuum expectation value of the surface energy-momentum tensor is evaluated for a massive scalar field with general curvature coupling parameter subject to Robin boundary conditions on two parallel branes located on (D+1)-dimensional anti-de Sitter bulk. The general case of different Robin coefficients on separate branes is considered. As a regularization procedure the generalized zeta function technique is used, in combination with contour integral representations. The surface energies on the branes are presented in the form of the sums of single brane and second brane-induced parts. For the geometry of a single brane both regions, on the left (L-region) and on the right (R-region), of the brane are considered. The surface densities for separate L- and R-regions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total surface energy is finite. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation. It is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. In the Randall-Sundrum braneworld model, for the interbrane distances solving the hierarchy problem between the gravitational and electroweak mass scales, the cosmological constant generated on the visible brane is of the right order of magnitude with the value suggested by the cosmological observations

  3. Density, viscosity and surface tension of liquid phase Beckmann rearrangement mixtures

    NARCIS (Netherlands)

    Zuidhof, K.T.; Croon, de M.H.J.M.; Schouten, J.C.; Tinge, J.T.

    2015-01-01

    We have determined the density, dynamic viscosity, and surface tension of liquid phase Beckmann rearrangement mixtures, consisting of e-caprolactam and fuming oleum. These important properties have been measured in wide ranges of both temperature and molar ratios of acid and e-caprolactam, covering

  4. Vanishing quantum vacuum energy in eleven-dimensional supergravity on the round seven-sphere

    International Nuclear Information System (INIS)

    Inami, T.; Yamagishi, K.

    1984-01-01

    Quantum corrections to the vacuum energy are evaluated at one-loop order in eleven-dimensional supergravity on the round seven-sphere S 7 and are shown to vanish. The cancellation is also shown for all ultraviolet poles at z = 11/2, 10/2,..., corresponding to divergences of eleventh and lower powers of momentum cut-off Λ. (orig.)

  5. The story of antimatter matter's vanished twin

    CERN Document Server

    Borissov, Guennadi

    2018-01-01

    Each elementary particle contained within every known substance has an almost identical twin called its antiparticle. Existing data clearly indicate that equal numbers of particles and antiparticles were initially created soon after the birth of the universe. Despite this, all objects around us, as well as all the stars in all the known galaxies, are made of particles, while antiparticles have almost completely vanished. The reasons behind this disappearance are not yet fully known. Uncovering them will allow us to not only penetrate much deeper into the structure of matter, but also to understand the secret mechanisms that determine the genesis and development of our immense universe. That is why explaining the mystery of the missing antimatter is currently considered to be one of the main tasks of particle physics. This book tells the story of all the achievements in solving the problem of the missing antiparticles including the latest developments in the field. It is written by Prof. Guennadi Borissov, an...

  6. The “Axial” (“Vanishing Axis” Perspective

    Directory of Open Access Journals (Sweden)

    Daniel Sofron

    2015-11-01

    Full Text Available The present paper approaches the axial perspective, a method of spatial representation that precedes the invention of the Renaissance geometrical perspective. Despite being typical to ancient Greek and Roman art, the axial perspective can also be identified during the Middle Ages and the early Renaissance period and it represents the first form of systematic convergence of parallel lines. At the same time, the paper presents Erwin Panofsky's theories on this spatial suggestion method. Trying to offer it a scientific foundation, the researcher builds a system that he calls "the vanishing axis perspective" and puts forward a series of arguments in favour of the existence of such a perspective. Although the axial perspectival constructions imply awkward superimpositions of planes that might seem geometrically inaccurate, this method of spatial structuring of the image constitutes an important stage in the process of identifying solutions for the faithful reproduction of concrete reality and an essential stepin the development process of thevanishing point perspective.

  7. Gauge invariance and anomalous theories at finite fermionic density

    International Nuclear Information System (INIS)

    Roberge, A.

    1990-01-01

    We investigate the issue of stability of anomalous matter at finite fermionic density using a two-dimensional toy model. In particular, we pay careful attention to the issue of gauge invariance. We find that, contrary to some recent claims, the effective free energy (obtained by integrating out the fermions) cannot be obtained by the simple inclusion of a Chern-Simons term multiplying the fermionic chemical potential. We obtain some conditions for stability of anomalous charges when some finite density of conserved charge is present as well as for the neutral case. We also show that, under reasonable conditions, no sphaleron-type solution can exist in the toy model unless the anomalous charge density vanishes. We argue that this could be the case for more realistic models as well

  8. Ultralow energy ion beam surface modification of low density polyethylene.

    Science.gov (United States)

    Shenton, Martyn J; Bradley, James W; van den Berg, Jaap A; Armour, David G; Stevens, Gary C

    2005-12-01

    Ultralow energy Ar+ and O+ ion beam irradiation of low density polyethylene has been carried out under controlled dose and monoenergetic conditions. XPS of Ar+-treated surfaces exposed to ambient atmosphere show that the bombardment of 50 eV Ar+ ions at a total dose of 10(16) cm(-2) gives rise to very reactive surfaces with oxygen incorporation at about 50% of the species present in the upper surface layer. Using pure O+ beam irradiation, comparatively low O incorporation is achieved without exposure to atmosphere (approximately 13% O in the upper surface). However, if the surface is activated by Ar+ pretreatment, then large oxygen contents can be achieved under subsequent O+ irradiation (up to 48% O). The results show that for very low energy (20 eV) oxygen ions there is a dose threshold of about 5 x 10(15) cm(-2) before surface oxygen incorporation is observed. It appears that, for both Ar+ and O+ ions in this regime, the degree of surface modification is only very weakly dependent on the ion energy. The results suggest that in the nonequilibrium plasma treatment of polymers, where the ion flux is typically 10(18) m(-2) s(-1), low energy ions (<50 eV) may be responsible for surface chemical modification.

  9. Mixing Dynamics of Supercritical Droplets and Jets

    National Research Council Canada - National Science Library

    Talley, Douglas G; Cohn, R. K; Coy, E. B; Chehroudi, B; Davis, D. W

    2005-01-01

    .... At supercritical pressures, however, a distinct difference between "gaseous" and "liquid" phases no longer exists, surface tension and the enthalpy of vaporization vanish, and "gas" phase density...

  10. Vanishing "tattoo" multisensor for biomedical diagnostics

    Science.gov (United States)

    Moczko, E.; Meglinski, I.; Piletsky, S.

    2008-02-01

    Currently, precise non-invasive diagnostics systems for the real-time multi detection and monitoring of physiological parameters and chemical analytes in the human body are urgently required by clinicians, physiologists and bio-medical researchers. We have developed a novel cost effective smart 'vanishing tattoo' (similar to temporary child's tattoos) consisting of environmental-sensitive dyes. Painlessly impregnated into the skin the smart tattoo is capable of generating optical/fluorescence changes (absorbance, transmission, reflectance, emission and/or luminescence within UV, VIS or NIR regions) in response to physical or chemical changes. These changes allow the identification of colour pattern changes similar to bar-code scanning. Such a system allows an easy, cheap and robust comprehensive detection of various parameters and analytes in a small volume of sample (e.g. variations in pH, temperature, ionic strength, solvent polarity, presence of redox species, surfactants, oxygen). These smart tattoos have possible applications in monitoring the progress of disease and transcutaneous drug delivery. The potential of this highly innovative diagnostic tool is wide and diverse and can impact on routine clinical diagnostics, general therapeutic management, skin care and cosmetic products testing as well as fundamental physiological investigations.

  11. Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention

    Energy Technology Data Exchange (ETDEWEB)

    Buzi, Luxherta, E-mail: l.buzi@fz-juelich.de [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Université de Lorraine, Institut Jean Lamour, CNRS UMR 7198, Bvd. des Aiguillettes, F-54506 Vandoeuvre (France); Temmerman, Greg De [FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Oost, Guido Van [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); Möller, Sören [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany)

    2014-12-15

    Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10{sup 23} D{sup +}/m{sup 2} s and low: 9 · 10{sup 21} D{sup +}/m{sup 2} s). Particle fluence and ion energy, respectively 10{sup 26} D{sup +}/m{sup 2} and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion.

  12. Difficulties in applying pure Kohn-Sham density functional theory electronic structure methods to protein molecules

    Science.gov (United States)

    Rudberg, Elias

    2012-02-01

    Self-consistency-based Kohn-Sham density functional theory (KS-DFT) electronic structure calculations with Gaussian basis sets are reported for a set of 17 protein-like molecules with geometries obtained from the Protein Data Bank. It is found that in many cases such calculations do not converge due to vanishing HOMO-LUMO gaps. A sequence of polyproline I helix molecules is also studied and it is found that self-consistency calculations using pure functionals fail to converge for helices longer than six proline units. Since the computed gap is strongly correlated to the fraction of Hartree-Fock exchange, test calculations using both pure and hybrid density functionals are reported. The tested methods include the pure functionals BLYP, PBE and LDA, as well as Hartree-Fock and the hybrid functionals BHandHLYP, B3LYP and PBE0. The effect of including solvent molecules in the calculations is studied, and it is found that the inclusion of explicit solvent molecules around the protein fragment in many cases gives a larger gap, but that convergence problems due to vanishing gaps still occur in calculations with pure functionals. In order to achieve converged results, some modeling of the charge distribution of solvent water molecules outside the electronic structure calculation is needed. Representing solvent water molecules by a simple point charge distribution is found to give non-vanishing HOMO-LUMO gaps for the tested protein-like systems also for pure functionals.

  13. Difficulties in applying pure Kohn-Sham density functional theory electronic structure methods to protein molecules

    International Nuclear Information System (INIS)

    Rudberg, Elias

    2012-01-01

    Self-consistency-based Kohn-Sham density functional theory (KS-DFT) electronic structure calculations with Gaussian basis sets are reported for a set of 17 protein-like molecules with geometries obtained from the Protein Data Bank. It is found that in many cases such calculations do not converge due to vanishing HOMO-LUMO gaps. A sequence of polyproline I helix molecules is also studied and it is found that self-consistency calculations using pure functionals fail to converge for helices longer than six proline units. Since the computed gap is strongly correlated to the fraction of Hartree-Fock exchange, test calculations using both pure and hybrid density functionals are reported. The tested methods include the pure functionals BLYP, PBE and LDA, as well as Hartree-Fock and the hybrid functionals BHandHLYP, B3LYP and PBE0. The effect of including solvent molecules in the calculations is studied, and it is found that the inclusion of explicit solvent molecules around the protein fragment in many cases gives a larger gap, but that convergence problems due to vanishing gaps still occur in calculations with pure functionals. In order to achieve converged results, some modeling of the charge distribution of solvent water molecules outside the electronic structure calculation is needed. Representing solvent water molecules by a simple point charge distribution is found to give non-vanishing HOMO-LUMO gaps for the tested protein-like systems also for pure functionals. (fast track communication)

  14. Simultaneous measurements of work function and H‒ density including caesiation of a converter surface

    Science.gov (United States)

    Cristofaro, S.; Friedl, R.; Fantz, U.

    2017-08-01

    Negative hydrogen ion sources rely on the surface conversion of neutral atomic hydrogen and positive hydrogen ions to H-. The efficiency of this process depends on the actual work function of the converter surface. By introducing caesium into the source the work function decreases, enhancing the negative ion yield. In order to study the impact of the work function on the H- surface production at similar conditions to the ones in ion sources for fusion devices like ITER and DEMO, fundamental investigations are performed in a flexible laboratory experiment. The work function of the converter surface can be absolutely measured by photoelectric effect, while a newly installed cavity ring-down spectroscopy system (CRDS) measures the H- density. The CRDS is firstly tested and characterized by investigations on H- volume production. Caesiation of a stainless steel sample is then performed in vacuum and the plasma effect on the Cs layer is investigated also for long plasma-on times. A minimum work function of (1.9±0.1) eV is reached after some minutes of plasma treatment, resulting in a reduction by a value of 0.8 eV compared to vacuum measurements. The H- density above the surface is (2.1±0.5)×1015 m-3. With further plasma exposure of the caesiated surface, the work function increases up to 3.75 eV, due to the impinging plasma particles which gradually remove the Cs layer. As a result, the H- density decreases by a factor of at least 2.

  15. Adsorption properties of AlN on Si(111) surface: A density functional study

    Science.gov (United States)

    Yuan, Yinmei; Zuo, Ran; Mao, Keke; Tang, Binlong; Zhang, Zhou; Liu, Jun; Zhong, Tingting

    2018-04-01

    In the process of preparing GaN on Si substrate by MOCVD, an AlN buffer layer is very important. In this study, we conducted density functional theory calculations on the adsorption of AlN molecule on Si(111)-(2 × 2) surface, with the AlN molecule located horizontally or vertically above Si(111) surface at different adsorption sites. The calculations revealed that the lowest adsorption energy was at the N-top-Al-bridge site in the horizontal configuration, with the narrowest band gap, indicating that it was the most preferential adsorption growth status of AlN. In the vertical configurations, N adatom was more reactive and convenient to form bonds with the topmost Si atoms than Al adatom. When the N-end of the AlN molecule was located downward, the hollow site was the preferred adsorption site; when the Al-end was located downward, the bridge site was the most energetically favorable. Moreover, we investigated some electronic properties such as partial density of states, electron density difference, Mulliken populations, etc., revealing the microscale mechanism for AlN adsorption on Si(111) surface and providing theoretical support for adjusting the processing parameters during AlN or GaN production.

  16. Unusual case of a vanishing bronchus of the left allograft in a lung transplant recipient

    Directory of Open Access Journals (Sweden)

    Don Hayes

    2013-01-01

    Full Text Available We present an interesting case of a complete vanishing of the left main bronchus in a lung transplant recipient who had a successful outcome due to acute respiratory support with venovenous extracorporeal membrane oxygenation in order to perform airway dilation.

  17. ''Vanishing theorem'' for a positive holomorphic vector bundle of undefined rank

    International Nuclear Information System (INIS)

    Le Potier, J.

    1974-01-01

    Let M ba a compact complex manifold of dimension n and let E→M be a holomorphic vector bundle over M. Theorem: If E is positive of rank r and if Hsup(p,q)(M,E) is the cohomology of type (p,q) of M with values in E, then Hsup(p,q)(M,E) = O as soon as p+q >=n+r. If r = 1, this is the ''precise vanishing theorem'' due to Kodaira and Nakano; the present paper contains a proof of the general case

  18. Ultrafast dynamics in CeTe{sub 3} near the pressure-induced charge-density-wave transition

    Energy Technology Data Exchange (ETDEWEB)

    Tauch, Jonas; Obergfell, Manuel [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Schaefer, Hanjo [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Institute of Physics, Ilmenau University of Technology (Germany); Demsar, Jure [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Institute of Physics, Ilmenau University of Technology (Germany); Institute of Physics, Johannes Gutenberg-University Mainz (Germany); Giraldo, Paula; Fisher, Ian R. [Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University (United States); Pashkin, Alexej [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2015-07-01

    Femtosecond pump-probe spectroscopy is an efficient tool for studying ultrafast dynamics in strongly correlated electronic systems, in particular, compounds with a charge-density-wave (CDW) order. Application of external pressure often leads to a suppression of a CDW state due to an impairment of the Fermi surface nesting. We combine time-resolved optical spectroscopy and diamond anvil cell technology to study electron and lattice dynamics in tri-telluride compound CeTe{sub 3}. Around pressures of 4 GPa we observe a gradual vanishing of the relaxation process related to the recombination of the photoexcited quasiparticles. The coherent oscillations of the phonon modes coupled to the CDW order parameter demonstrate even more dramatic suppression with increasing pressure. These observations clearly indicate a transition into the metallic state of CeTe{sub 3} induced by the external pressure.

  19. Finite temperature fermion condensate, charge and current densities in a (2+1)-dimensional conical space

    Energy Technology Data Exchange (ETDEWEB)

    Bellucci, S. [INFN, Laboratori Nazionali di Frascati, Frascati (Italy); Bezerra de Mello, E.R. [Universidade Federal da Parai ba, Departamento de Fisica, 58.059-970, Joao Pessoa, PB (Brazil); Braganca, E. [INFN, Laboratori Nazionali di Frascati, Frascati (Italy); Universidade Federal da Parai ba, Departamento de Fisica, 58.059-970, Joao Pessoa, PB (Brazil); Saharian, A.A. [Yerevan State University, Department of Physics, Yerevan (Armenia)

    2016-06-15

    We evaluate the fermion condensate and the expectation values of the charge and current densities for a massive fermionic field in (2+1)-dimensional conical spacetime with a magnetic flux located at the cone apex. The consideration is done for both irreducible representations of the Clifford algebra. The expectation values are decomposed into the vacuum expectation values and contributions coming from particles and antiparticles. All these contributions are periodic functions of the magnetic flux with the period equal to the flux quantum. Related to the non-invariance of the model under the parity and time-reversal transformations, the fermion condensate and the charge density have indefinite parity with respect to the change of the signs of the magnetic flux and chemical potential. The expectation value of the radial current density vanishes. The azimuthal current density is the same for both the irreducible representations of the Clifford algebra. It is an odd function of the magnetic flux and an even function of the chemical potential. The behavior of the expectation values in various asymptotic regions of the parameters are discussed in detail. In particular, we show that for points near the cone apex the vacuum parts dominate. For a massless field with zero chemical potential the fermion condensate and charge density vanish. Simple expressions are derived for the part in the total charge induced by the planar angle deficit and magnetic flux. Combining the results for separate irreducible representations, we also consider the fermion condensate, charge and current densities in parity and time-reversal symmetric models. Possible applications to graphitic nanocones are discussed. (orig.)

  20. Near-surface density profiling of Fe ion irradiated Si (100) using extremely asymmetric x-ray diffraction by variation of the wavelength

    Energy Technology Data Exchange (ETDEWEB)

    Khanbabaee, B., E-mail: khanbabaee@physik.uni-siegen.de; Pietsch, U. [Solid State Physics, University of Siegen, D-57068 Siegen (Germany); Facsko, S. [Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany); Doyle, S. [Synchrotron Light Source ANKA, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)

    2014-10-20

    In this work, we report on correlations between surface density variations and ion parameters during ion beam-induced surface patterning process. The near-surface density variations of irradiated Si(100) surfaces were investigated after off-normal irradiation with 5 keV Fe ions at different fluences. In order to reduce the x-ray probing depth to a thickness below 5 nm, the extremely asymmetrical x-ray diffraction by variation of wavelength was applied, exploiting x-ray refraction at the air-sample interface. Depth profiling was achieved by measuring x-ray rocking curves as function of varying wavelengths providing incidence angles down to 0°. The density variation was extracted from the deviations from kinematical Bragg angle at grazing incidence angles due to refraction of the x-ray beam at the air-sample interface. The simulations based on the dynamical theory of x-ray diffraction revealed that while a net near-surface density decreases with increasing ion fluence which is accompanied by surface patterning, there is a certain threshold of ion fluence to surface density modulation. Our finding suggests that the surface density variation can be relevant with the mechanism of pattern formation.

  1. Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges

    International Nuclear Information System (INIS)

    Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.

    2008-01-01

    In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of H β spectral line, including plasma region inside the waveguide which was not investigated earlier

  2. Vanishing Lung Syndrome in a Patient with HIV Infection and Heavy Marijuana Use

    Directory of Open Access Journals (Sweden)

    Basheer Tashtoush

    2014-01-01

    Full Text Available Vanishing lung syndrome (VLS is a rare and distinct clinical syndrome that usually affects young men. VLS leads to severe progressive dyspnea and is characterized by extensive, asymmetric, peripheral, and predominantly upper lobe giant lung bullae. Case reports have suggested an additive role of marijuana use in the development of this disease in young male tobacco smokers. We herein report a case of a 65-year-old Hispanic male previously diagnosed with severe emphysema and acquired immune deficiency syndrome (AIDS, with a history of intravenous heroin use and active marijuana smoking who presents to the emergency department with severe progressive shortness of breath he was found to have multiple large subpleural bullae occupying more than one-third of the hemithorax on chest computerized tomography (CT, characteristic of vanishing lung syndrome. The patient was mechanically ventilated and later developed a pneumothorax requiring chest tube placement and referral for surgical bullectomy. Surgical bullectomy has shown high success rates in alleviating the debilitating symptoms and preventing the life threatening complications of this rare syndrome. This case further emphasizes the importance of recognizing VLS in patients with severe emphysema and heavy marijuana smoking.

  3. Estimating the amount and distribution of radon flux density from the soil surface in China

    International Nuclear Information System (INIS)

    Zhuo Weihai; Guo Qiuju; Chen Bo; Cheng Guan

    2008-01-01

    Based on an idealized model, both the annual and the seasonal radon ( 222 Rn) flux densities from the soil surface at 1099 sites in China were estimated by linking a database of soil 226 Ra content and a global ecosystems database. Digital maps of the 222 Rn flux density in China were constructed in a spatial resolution of 25 km x 25 km by interpolation among the estimated data. An area-weighted annual average 222 Rn flux density from the soil surface across China was estimated to be 29.7 ± 9.4 mBq m -2 s -1 . Both regional and seasonal variations in the 222 Rn flux densities are significant in China. Annual average flux densities in the southeastern and northwestern China are generally higher than those in other regions of China, because of high soil 226 Ra content in the southeastern area and high soil aridity in the northwestern one. The seasonal average flux density is generally higher in summer/spring than winter, since relatively higher soil temperature and lower soil water saturation in summer/spring than other seasons are common in China

  4. Calculation of gamma-ray flux density above the Venus and Earth surfaces

    International Nuclear Information System (INIS)

    Surkov, Yu.A.; Manvelyan, O.S.

    1987-01-01

    Calculational results of dependence of flux density of nonscattered gamma-quanta on the height above the Venus and Earth planet surfaces are presented in the paper. Areas, where a certain part of gamma quanta is accumulated, are calaculted for each height. Spectra of scattered gamma quanta and their integral fluxes at different heights above the Venera planet surface are calculated. Effect of the atmosphere on gamma radiation recorded is considered. The results obtained allow to estimate optimal conditions for measuring gamma-fields above the Venus and Earth planet surfaces, to determine the area of the planet surface investigated. They are also necessary to determine the elementary composition of the rock according to the characteristic gamma radiation spectrum recorded

  5. Single-Step Fabrication of High-Density Microdroplet Arrays of Low-Surface-Tension Liquids.

    Science.gov (United States)

    Feng, Wenqian; Li, Linxian; Du, Xin; Welle, Alexander; Levkin, Pavel A

    2016-04-01

    A facile approach for surface patterning that enables single-step fabrication of high-density arrays of low-surface-tension organic-liquid microdroplets is described. This approach enables miniaturized and parallel high-throughput screenings in organic solvents, formation of homogeneous arrays of hydrophobic nanoparticles, polymer micropads of specific shapes, and polymer microlens arrays. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. In Situ Evaluation of Density, Viscosity and Thickness of Adsorbed Soft Layers by Combined Surface Acoustic Wave and Surface Plasmon Resonance

    OpenAIRE

    Francis, L.; Friedt, J. -M.; Zhou, C.; Bertrand, P.

    2003-01-01

    We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is...

  7. Analysis and numerical simulation of compressible two-phase flows using relaxation methods. Contribution to the treatment of vanishing phases

    International Nuclear Information System (INIS)

    Saleh, K.

    2012-01-01

    This thesis deals with the Baer-Nunziato two-phase flow model. The main objective of this work is to propose some techniques to cope with phase vanishing regimes which produce important instabilities in the model and its numerical simulations. Through analysis and simulation methods using Suliciu relaxation approximations, we prove that in these regimes, the solutions can be stabilised by introducing some extra dissipation of the total mixture entropy. In a first approach, called the Eulerian approach, the exact resolution of the relaxation Riemann problem provides an accurate entropy-satisfying numerical scheme, which turns out to be much more efficient in terms of CPU-cost than the classical and very simple Rusanov's scheme. Moreover, the scheme is proved to handle the vanishing phase regimes with great stability. The scheme, first developed in 1D, is then extended in 3D and implemented in an industrial code developed by EDF. The second approach, called the acoustic splitting approach, considers a separation of fast acoustic waves from slow material waves. The objective is to avoid the resonance due to the interaction between these two types of waves, and to allow an implicit treatment of the acoustics, while material waves are explicitly discretized. The resulting scheme is very simple and allows to deal simply with phase vanishing. The originality of this work is to use new dissipative closure laws for the interfacial velocity and pressure, in order to control the solutions of the Riemann problem associated with the acoustic step, in the phase vanishing regimes. (author)

  8. Geometric contribution leading to anomalous estimation of two-dimensional electron gas density in GaN based heterostructures

    Science.gov (United States)

    Upadhyay, Bhanu B.; Jha, Jaya; Takhar, Kuldeep; Ganguly, Swaroop; Saha, Dipankar

    2018-05-01

    We have observed that the estimation of two-dimensional electron gas density is dependent on the device geometry. The geometric contribution leads to the anomalous estimation of the GaN based heterostructure properties. The observed discrepancy is found to originate from the anomalous area dependent capacitance of GaN based Schottky diodes, which is an integral part of the high electron mobility transistors. The areal capacitance density is found to increase for smaller radii Schottky diodes, contrary to a constant as expected intuitively. The capacitance is found to follow a second order polynomial on the radius of all the bias voltages and frequencies considered here. In addition to the quadratic dependency corresponding to the areal component, the linear dependency indicates a peripheral component. It is further observed that the peripheral to areal contribution is inversely proportional to the radius confirming the periphery as the location of the additional capacitance. The peripheral component is found to be frequency dependent and tends to saturate to a lower value for measurements at a high frequency. In addition, the peripheral component is found to vanish when the surface is passivated by a combination of N2 and O2 plasma treatments. The cumulative surface state density per unit length of the perimeter of the Schottky diodes as obtained by the integrated response over the distance between the ohmic and Schottky contacts is found to be 2.75 × 1010 cm-1.

  9. Emerging quasi-0D states at vanishing total entropy of the 1D hard sphere system: A coarse-grained similarity to the car parking problem

    Science.gov (United States)

    Frusawa, Hiroshi

    2014-05-01

    A coarse-grained system of one-dimensional (1D) hard spheres (HSs) is created using the Delaunay tessellation, which enables one to define the quasi-0D state. It is found from comparing the quasi-0D and 1D free energy densities that a frozen state due to the emergence of quasi-0D HSs is thermodynamically more favorable than fluidity with a large-scale heterogeneity above crossover volume fraction of ϕc=e/(1+e)=0.731⋯ , at which the total entropy of the 1D state vanishes. The Delaunay-based lattice mapping further provides a similarity between the dense HS system above ϕc and the jamming limit in the car parking problem.

  10. Emerging quasi-0D states at vanishing total entropy of the 1D hard sphere system: A coarse-grained similarity to the car parking problem

    International Nuclear Information System (INIS)

    Frusawa, Hiroshi

    2014-01-01

    A coarse-grained system of one-dimensional (1D) hard spheres (HSs) is created using the Delaunay tessellation, which enables one to define the quasi-0D state. It is found from comparing the quasi-0D and 1D free energy densities that a frozen state due to the emergence of quasi-0D HSs is thermodynamically more favorable than fluidity with a large-scale heterogeneity above crossover volume fraction of ϕ c =e/(1+e)=0.731⋯ , at which the total entropy of the 1D state vanishes. The Delaunay-based lattice mapping further provides a similarity between the dense HS system above ϕ c and the jamming limit in the car parking problem.

  11. On high-order perturbative calculations at finite density

    CERN Document Server

    Ghisoiu, Ioan; Kurkela, Aleksi; Romatschke, Paul; Säppi, Matias; Vuorinen, Aleksi

    2017-01-01

    We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes. Applications of these rules will be discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbative orders.

  12. Layered interfaces between immiscible liquids studied by density-functional theory and molecular-dynamics simulations.

    Science.gov (United States)

    Geysermans, P; Elyeznasni, N; Russier, V

    2005-11-22

    We present a study of the structure in the interface between two immiscible liquids by density-functional theory and molecular-dynamics calculations. The liquids are modeled by Lennard-Jones potentials, which achieve immiscibility by suppressing the attractive interaction between unlike particles. The density profiles of the liquids display oscillations only in a limited part of the simple liquid-phase diagram (rho,T). When approaching the liquid-vapor coexistence, a significant depletion appears while the layering behavior of the density profile vanishes. By analogy with the liquid-vapor interface and the analysis of the adsorption this behavior is suggested to be strongly related to the drying transition.

  13. Density and surface tension of melts of zirconium and hafnium fluorides with lithium fluoride

    International Nuclear Information System (INIS)

    Katyshev, S.F.; Artemov, V.V.; Desyatnik, V.N.

    1988-01-01

    A study was conducted to determine the temperature dependence of the density and surface tension of melts of LiF-ZrF 4 and LiF-HfF 4 . Density and surface tension were determined by the method of maximum pressure in an argon bubble. On the basis of experimental data over the entire concentration range the molar volumes and their relative deviations from the additive molar volumes were calculated for 1100 0 K. The positive deviations of the molar volumes from additivity in the LiF-HfF 4 system (22.45%) were greater than in the LiF-ZrF 4 system (15.75%). This indicated that the reaction with lithium fluoride is intensified with the switch to the hafnium fluoride. Results also demonstrated that the fluorides are surface-active components in the molten mixtures

  14. Experimental study on magnetically insulated transmission line electrode surface evolution process under MA/cm current density

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, PengFei; Qiu, Aici [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); State Key Laboratory of Intense Pulse Radiation of Simulation and Effect, Northwest Institute of Nuclear Technology, Xi' an 710024 (China); Hu, Yang; Yang, HaiLiang; Sun, Jiang; Wang, Liangping; Cong, Peitian [State Key Laboratory of Intense Pulse Radiation of Simulation and Effect, Northwest Institute of Nuclear Technology, Xi' an 710024 (China)

    2016-03-15

    The design of high-current density magnetically insulated transmission line (MITL) is a difficult problem of current large-scale Z-pinch device. In particular, a thorough understanding of the MITL electrode surface evolution process under high current density is lacking. On the “QiangGuang-I” accelerator, the load area possesses a low inductance short-circuit structure with a diameter of 2.85 mm at the cathode, and three reflux columns with a diameter of 3 mm and uniformly distributed circumference at the anode. The length of the high density MITL area is 20 mm. A laser interferometer is used to assess and analyze the state of the MITL cathode and anode gap, and their evolution process under high current density. Experimental results indicate that evident current loss is not observed in the current density area at pulse leading edge, and peak when the surface current density reaches MA/cm. Analysis on electrode surface working conditions indicates that when the current leading edge is at 71.5% of the peak, the total evaporation of MITL cathode structure can be realized by energy deposition caused by ohmic heating. The electrode state changes, and diffusion conditions are reflected in the laser interferometer image. The MITL cathode area mainly exists in metal vapor form. The metal vapor density in the cathode central region is higher than the upper limit of laser penetration density (∼4 × 10{sup 21}/cm{sup 3}), with an expansion velocity of ∼0.96 km/s. The metal vapor density in the electrode outer area may lead to evident distortion of fringes, and its expansion velocity is faster than that in the center area (1.53 km/s).

  15. A Method for Absolute Determination of the Surface Areal Density of Functional Groups in Organic Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Min, Hyegeun; Son, Jin Gyeong; Kim, Jeong Won; Yu, Hyunung; Lee, Tae Geol; Moon, Dae Won [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

    2014-03-15

    To develop a methodology for absolute determination of the surface areal density of functional groups on organic and bio thin films, medium energy ion scattering (MEIS) spectroscopy was utilized to provide references for calibration of X-ray photoelectron spectroscopy (XPS) or Fourier transformation-infrared (FT-IR) intensities. By using the MEIS, XPS, and FT-IR techniques, we were able to analyze the organic thin film of a Ru dye compound (C{sub 58}H{sub 86}O{sub 8}N{sub 8}S{sub 2}Ru), which consists of one Ru atom and various stoichiometric functional groups. From the MEIS analysis, the absolute surface areal density of Ru atoms (or Ru dye molecules) was determined. The surface areal densities of stoichiometric functional groups in the Ru dye compound were used as references for the calibration of XPS and FT-IR intensities for each functional group. The complementary use of MEIS, XPS, and FT-IR to determine the absolute surface areal density of functional groups on organic and bio thin films will be useful for more reliable development of applications based on organic thin films in areas such as flexible displays, solar cells, organic sensors, biomaterials, and biochips.

  16. Interfacial Tension and Surface Pressure of High Density Lipoprotein, Low Density Lipoprotein, and Related Lipid Droplets

    DEFF Research Database (Denmark)

    Ollila, O. H. S.; Lamberg, A.; Lehtivaara, M.

    2012-01-01

    ) are essentially lipid droplets surrounded by specific proteins, their main function being to transport cholesterol. Interfacial tension and surface pressure of these particles are of great interest because they are related to the shape and the stability of the droplets and to protein adsorption at the interface....... Here we use coarse-grained molecular-dynamics simulations to consider a number of related issues by calculating the interfacial tension in protein-free lipid droplets, and in HDL and LDL particles mimicking physiological conditions. First, our results suggest that the curvature dependence......Lipid droplets play a central role in energy storage and metabolism on a cellular scale. Their core is comprised of hydrophobic lipids covered by a surface region consisting of amphiphilic lipids and proteins. For example, high and low density lipoproteins (HDL and LDL, respectively...

  17. Charge carrier density in Li-intercalated graphene

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-05-01

    The electronic structures of bulk C 6Li, Li-intercalated free-standing bilayer graphene, and Li-intercalated bilayer and trilayer graphene on SiC(0 0 0 1) are studied using density functional theory. Our estimate of Young\\'s modulus suggests that Li-intercalation increases the intrinsic stiffness. For decreasing Li-C interaction, the Dirac point shifts to the Fermi level and the associated band splitting vanishes. For Li-intercalated bilayer graphene on SiC(0 0 0 1) the splitting at the Dirac point is tiny. It is also very small at the two Dirac points of Li-intercalated trilayer graphene on SiC(0 0 0 1). For all the systems under study, a large enhancement of the charge carrier density is achieved by Li intercalation. © 2012 Elsevier B.V. All rights reserved.

  18. Outcrop-scale fracture trace identification using surface roughness derived from a high-density point cloud

    Science.gov (United States)

    Okyay, U.; Glennie, C. L.; Khan, S.

    2017-12-01

    Owing to the advent of terrestrial laser scanners (TLS), high-density point cloud data has become increasingly available to the geoscience research community. Research groups have started producing their own point clouds for various applications, gradually shifting their emphasis from obtaining the data towards extracting more and meaningful information from the point clouds. Extracting fracture properties from three-dimensional data in a (semi-)automated manner has been an active area of research in geosciences. Several studies have developed various processing algorithms for extracting only planar surfaces. In comparison, (semi-)automated identification of fracture traces at the outcrop scale, which could be used for mapping fracture distribution have not been investigated frequently. Understanding the spatial distribution and configuration of natural fractures is of particular importance, as they directly influence fluid-flow through the host rock. Surface roughness, typically defined as the deviation of a natural surface from a reference datum, has become an important metric in geoscience research, especially with the increasing density and accuracy of point clouds. In the study presented herein, a surface roughness model was employed to identify fracture traces and their distribution on an ophiolite outcrop in Oman. Surface roughness calculations were performed using orthogonal distance regression over various grid intervals. The results demonstrated that surface roughness could identify outcrop-scale fracture traces from which fracture distribution and density maps can be generated. However, considering outcrop conditions and properties and the purpose of the application, the definition of an adequate grid interval for surface roughness model and selection of threshold values for distribution maps are not straightforward and require user intervention and interpretation.

  19. Surface grafting density analysis of high anti-clotting PU-Si-g-P(MPC) films

    Energy Technology Data Exchange (ETDEWEB)

    Lu Chunyan [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Zhou Ninglin, E-mail: ninglinzhou@yahoo.com [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Technological Research Center for Interfacial Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Xiao Yinghong; Tang Yida; Jin Suxing; Wu Yue [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Zhang Jun; Shen Jian [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Technological Research Center for Interfacial Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China)

    2012-02-01

    Well-defined zwitterionic polymer brushes with good blood compatibility were studied, grafted from polyurethane (PU) substrate (PU-Si-g-P(MPC)) by surface-initiated reverse atom transfer radical polymerization (SI-RATRP). We found that the structure of polymer brushes and hence their properties greatly depend on the grafting density. To solve the problems of the normal method for grafting density measurement, i.e., more requirements for qualified and proficient instrument operator, we established an effective and feasible way instead of the conventional method of spectroscopic ellipsometer combined with gel permeation chromatograph (ELM/GPC) to calculate the grafting density of PU-Si-g-P(MPC) films by using a software named ImageJ 1.44e in combination with scanning electronic microscope (SEM) or atomic microscope (AFM). X-ray photoelectron spectroscopy (XPS), SEM and AFM were employed to analyze the surface topography and changes of elements before and after graft modification of the synthetic PU-Si-g-P(MPC) biofilms.

  20. Surface density of spacetime degrees of freedom from equipartition law in theories of gravity

    International Nuclear Information System (INIS)

    Padmanabhan, T.

    2010-01-01

    I show that the principle of equipartition, applied to area elements of a surface ∂V which are in equilibrium at the local Davies-Unruh temperature, allows one to determine the surface number density of the microscopic spacetime degrees of freedom in any diffeomorphism invariant theory of gravity. The entropy associated with these degrees of freedom matches with the Wald entropy for the theory. This result also allows one to attribute an entropy density to the spacetime in a natural manner. The field equations of the theory can then be obtained by extremizing this entropy. Moreover, when the microscopic degrees of freedom are in local thermal equilibrium, the spacetime entropy of a bulk region resides on its boundary.

  1. Covalent assembly of poly(ethyleneimine) via layer-by-layer deposition for enhancing surface density of protein and bacteria attachment

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Bing, E-mail: xiabing@njfu.edu.cn [Key Laboratory of Forest Genetics and Biotechnology (Ministry of Education of China), Nanjing Forestry University, Nanjing 210037 (China); Advanced Analysis and Testing Center, Nanjing Forestry University, Nanjing 210037 (China); Shi, Jisen; Dong, Chen; Zhang, Wenyi; Lu, Ye [Key Laboratory of Forest Genetics and Biotechnology (Ministry of Education of China), Nanjing Forestry University, Nanjing 210037 (China); Guo, Ping [Nanjing College of Information Technology, Nanjing 210023 (China)

    2014-02-15

    Covalently assembly of low molecular weight poly(ethyleneimine) was introduced to glass surfaces via glutaraldehyde crosslinking, with focus on its application on protein immobilization or bacteria attachment. Characterizations of Fourier transform infrared spectroscopy and ellipsometry measurement revealed a stepwise growth of poly(ethyleneimine) films by layer-by-layer deposition. After fluorescein isothiocyanate labelling, photoluminescence spectroscopy measurement indicated that the amount of surface accessible amine groups had been gradually enhanced with increasing poly(ethyleneimine) layers deposition. As compared with traditional aminosilanized surfaces, the surface density of amine groups was enhanced by ∼11 times after five layers grafting, which resulted in ∼9-time increasing of surface density of immobilized bovine serum albumin. Finally, these as-prepared PEI multi-films with excellent biocompatibility were adopted as culture substrates to improve Escherichia coli adherence, which showed that their surface density had been increased by ∼251 times.

  2. More on non-supersymmetric asymmetric orbifolds with vanishing cosmological constant

    International Nuclear Information System (INIS)

    Sugawara, Yuji; Wada, Taiki

    2016-01-01

    We explore various non-supersymmetric type II string vacua constructed based on asymmetric orbifolds of tori with vanishing cosmological constant at the one loop. The string vacua we present are modifications of the models studied in http://dx.doi.org/10.1007/JHEP02(2016)184, of which orbifold group is just generated by a single element. We especially focus on two types of modifications: (i) the orbifold twists include different types of chiral reflections not necessarily removing massless Rarita-Schwinger fields in the 4-dimensional space-time, (ii) the orbifold twists do not include the shift operator. We further discuss the unitarity and stability of constructed non-supersymmetric string vacua, with emphasizing the common features of them.

  3. Vanishing auxiliary variables in PPS sampling - with applications in microscopy

    DEFF Research Database (Denmark)

    Andersen, Ina Trolle; Hahn, Ute; Jensen, Eva B. Vedel

    Recently, non-uniform sampling has been suggested in microscopy to increase efficiency. More precisely, sampling proportional to size (PPS) has been introduced where the probability of sampling a unit in the population is proportional to the value of an auxiliary variable. Unfortunately, vanishing...... auxiliary variables are a common phenomenon in microscopy and, accordingly, part of the population is not accessible, using PPS sampling. We propose a modification of the design, for which an optimal solution can be found, using a model assisted approach. The optimal design has independent interest...... in sampling theory. We verify robustness of the new approach by numerical results, and we use real data to illustrate the applicability....

  4. In-situ determination of electronic surface and volume defect density of amorphous silicon (a-Si:H) and silicon alloys

    International Nuclear Information System (INIS)

    Siebke, F.

    1992-07-01

    The density of localized gap states in the bulk and in the near-surface region of amorphous hydrogenated silicon (a-Si:H) was measured for non oxidized undoped, B-doped and P-doped samples as well as for films with low carbon (C) and germanium (Ge) content. Also the influence of light soaking on the bulk and surface density of states was investigated. The samples were prepared by rf glow discharge in an UHV-system at substrate temperatures between 100degC and 400degC and transferred to the analysis chamber by a vacuum lock. We combined the constant photocurrent method (CPM) and the total-yield photoelectron spectroscopy (TY) to obtain in-situ information about the defect densities. While the first method yields information about the density of states in the bulk, the other method obtains the density of occupied states in the near-surface region. The mean information depth of the TY-measurements is limited by the escape lenght of photoelectrons and can be estimated to 5 nm. In addition to the defect density the position of the Fermi energy was determined for the bulk by dark conductivity measurements and at the surface using a calibrated Kelvin probe. (orig.)

  5. Analysis of the surface density and reactivity of perfluorophenylazide and the impact on ligand immobilization

    Energy Technology Data Exchange (ETDEWEB)

    Zorn, Gilad, E-mail: zorn@ge.com; Castner, David G. [National ESCA and Surface Analysis Center for Biomedical Problems, Departments of Bioengineering and Chemical Engineering, University of Washington, Box 351653, Seattle, Washington 98195-1653 (United States); Tyagi, Anuradha; Wang, Xin; Wang, Hui; Yan, Mingdi, E-mail: Mingdi-Yan@uml.edu [Department of Chemistry, Portland State University, Portland, Oregon 97207-0751 (United States)

    2015-03-15

    Perfluorophenylazide (PFPA) chemistry is a novel method for tailoring the surface properties of solid surfaces and nanoparticles. It is general and versatile, and has proven to be an efficient way to immobilize graphene, proteins, carbohydrates, and synthetic polymers. The main thrust of this work is to provide a detailed investigation on the chemical composition and surface density of the PFPA tailored surface. Specifically, gold surfaces were treated with PFPA-derivatized (11-mercaptoundecyl)tetra(ethylene glycol) (PFPA-MUTEG) mixed with 2-[2-(2-mercaptoethoxy)ethoxy]ethanol (MDEG) at varying solution mole ratios. Complementary analytical techniques were employed to characterize the resulting films including Fourier transform infrared spectroscopy to detect fingerprints of the PFPA group, x-ray photoelectron spectroscopy and ellipsometry to study the homogeneity and uniformity of the films, and near edge x-ray absorption fine structures to study the electronic and chemical structure of the PFPA groups. Results from these studies show that the films prepared from 90:10 and 80:20 PFPA-MUTEG/MDEG mixed solutions exhibited the highest surface density of PFPA and the most homogeneous coverage on the surface. A functional assay using surface plasmon resonance with carbohydrates covalently immobilized onto the PFPA-modified surfaces showed the highest binding affinity for lectin on the PFPA-MUTEG/MDEG film prepared from a 90:10 solution.

  6. On weighted hardy inequalities on semiaxis for functions vanishing at the endpoints

    Directory of Open Access Journals (Sweden)

    Vladimir Stepanov

    1997-01-01

    Full Text Available We study the weighted Hardy inequalities on the semiaxis of the form ‖Fu‖2≤C‖F(kv‖2  (1 for functions vanishing at the endpoints together with derivatives up to the order k−1. The case k=2 is completely characterized.

  7. Surface interactions involved in flashover with high density electronegative gases.

    Energy Technology Data Exchange (ETDEWEB)

    Hodge, Keith Conquest; Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Wallace, Zachariah Red; Lehr, Jane Marie

    2010-01-01

    This report examines the interactions involved with flashover along a surface in high density electronegative gases. The focus is on fast ionization processes rather than the later time ionic drift or thermalization of the discharge. A kinetic simulation of the gas and surface is used to examine electron multiplication and includes gas collision, excitation and ionization, and attachment processes, gas photoionization and surface photoemission processes, as well as surface attachment. These rates are then used in a 1.5D fluid ionization wave (streamer) model to study streamer propagation with and without the surface in air and in SF6. The 1.5D model therefore includes rates for all these processes. To get a better estimate for the behavior of the radius we have studied radial expansion of the streamer in air and in SF6. The focus of the modeling is on voltage and field level changes (with and without a surface) rather than secondary effects, such as, velocities or changes in discharge path. An experiment has been set up to carry out measurements of threshold voltages, streamer velocities, and other discharge characteristics. This setup includes both electrical and photographic diagnostics (streak and framing cameras). We have observed little change in critical field levels (where avalanche multiplication sets in) in the gas alone versus with the surface. Comparisons between model calculations and experimental measurements are in agreement with this. We have examined streamer sustaining fields (field which maintains ionization wave propagation) in the gas and on the surface. Agreement of the gas levels with available literature is good and agreement between experiment and calculation is good also. Model calculations do not indicate much difference between the gas alone versus the surface levels. Experiments have identified differences in velocity between streamers on the surface and in the gas alone (the surface values being larger).

  8. The Impact of the Prior Density on a Minimum Relative Entropy Density: A Case Study with SPX Option Data

    Directory of Open Access Journals (Sweden)

    Cassio Neri

    2014-05-01

    Full Text Available We study the problem of finding probability densities that match given European call option prices. To allow prior information about such a density to be taken into account, we generalise the algorithm presented in Neri and Schneider (Appl. Math. Finance 2013 to find the maximum entropy density of an asset price to the relative entropy case. This is applied to study the impact of the choice of prior density in two market scenarios. In the first scenario, call option prices are prescribed at only a small number of strikes, and we see that the choice of prior, or indeed its omission, yields notably different densities. The second scenario is given by CBOE option price data for S&P500 index options at a large number of strikes. Prior information is now considered to be given by calibrated Heston, Schöbel–Zhu or Variance Gamma models. We find that the resulting digital option prices are essentially the same as those given by the (non-relative Buchen–Kelly density itself. In other words, in a sufficiently liquid market, the influence of the prior density seems to vanish almost completely. Finally, we study variance swaps and derive a simple formula relating the fair variance swap rate to entropy. Then we show, again, that the prior loses its influence on the fair variance swap rate as the number of strikes increases.

  9. Stratified turbulent Bunsen flames: flame surface analysis and flame surface density modelling

    Science.gov (United States)

    Ramaekers, W. J. S.; van Oijen, J. A.; de Goey, L. P. H.

    2012-12-01

    In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold (FGM) reduction method for reaction kinetics. Before examining the suitability of the FSD model, flame surfaces are characterized in terms of thickness, curvature and stratification. All flames are in the Thin Reaction Zones regime, and the maximum equivalence ratio range covers 0.1⩽φ⩽1.3. For all flames, local flame thicknesses correspond very well to those observed in stretchless, steady premixed flamelets. Extracted curvature radii and mixing length scales are significantly larger than the flame thickness, implying that the stratified flames all burn in a premixed mode. The remaining challenge is accounting for the large variation in (subfilter) mass burning rate. In this contribution, the FSD model is proven to be applicable for Large Eddy Simulations (LES) of stratified flames for the equivalence ratio range 0.1⩽φ⩽1.3. Subfilter mass burning rate variations are taken into account by a subfilter Probability Density Function (PDF) for the mixture fraction, on which the mass burning rate directly depends. A priori analysis point out that for small stratifications (0.4⩽φ⩽1.0), the replacement of the subfilter PDF (obtained from DNS data) by the corresponding Dirac function is appropriate. Integration of the Dirac function with the mass burning rate m=m(φ), can then adequately model the filtered mass burning rate obtained from filtered DNS data. For a larger stratification (0.1⩽φ⩽1.3), and filter widths up to ten flame thicknesses, a β-function for the subfilter PDF yields substantially better predictions than a Dirac function. Finally, inclusion of a simple algebraic model for the FSD resulted only in small additional deviations from DNS data

  10. The effects of temperature and alkyl chain length on the density and surface tension of the imidazolium-based geminal dicationic ionic liquids

    International Nuclear Information System (INIS)

    Moosavi, Majid; Khashei, Fatemeh; Sharifi, Ali; Mirzaei, Mojtaba

    2017-01-01

    Highlights: • Surface tension and density of three GDILs were measured at different temperatures. • Surface entropy and surface enthalpy indicate the surface ordering in these GDILs. • Parachors and critical temperatures of these systems were estimated. • Results of GDILs were compared with the results of corresponding traditional MILs. • Relations between surface tension, density and viscosity of GDILs were demonstrated. - Abstract: Surface tensions and densities of three imidazolium-based geminal dicationic ionic liquids (GDILs) with the bis(trifluoromethylsulfonyl)imide, [NTf 2 ] − , as a common anion, have been measured at ambient pressure at different temperatures in the range from 296.00 to 353.15 K. The surface thermodynamic functions such as surface entropy and surface enthalpy were derived from the temperature dependence of surface tension which indicated the surface ordering in these GDILs. As well as the parachor, the critical temperatures of these systems have been estimated using the Guggenheim and Eotvos correlations. In each case, the results of GDILs have been compared with the results of corresponding traditional monocationic ILs (MILs). Also, the relations between the surface tension and density and also surface tension and viscosity data have been demonstrated and discussed.

  11. Radial Surface Density Profiles of Gas and Dust in the Debris Disk around 49 Ceti

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, A. Meredith; Lieman-Sifry, Jesse; Flaherty, Kevin M.; Daley, Cail M. [Department of Astronomy, Van Vleck Observatory, Wesleyan University, 96 Foss Hill Drive, Middletown, CT 06459 (United States); Roberge, Aki [Exoplanets and Stellar Astrophysics Laboratory, NASA Goddard Space Flight Center, Code 667, Greenbelt, MD 20771 (United States); Kóspál, Ágnes; Moór, Attila; Ábrahám, Peter [Konkoly Observatory, Research Centre for Astronomy and Earth Sciences, Hungarian Academy of Sciences, P.O. Box 67, 1525 Budapest (Hungary); Kamp, Inga [Kapteyn Astronomical Institute, University of Groningen, Postbus 800, 9700 AV Groningen (Netherlands); Wilner, David J.; Andrews, Sean M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-51, Cambridge, MA 02138 (United States); Kastner, Joel H., E-mail: amhughes@astro.wesleyan.edu [Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States)

    2017-04-20

    We present ∼0.″4 resolution images of CO(3–2) and associated continuum emission from the gas-bearing debris disk around the nearby A star 49 Ceti, observed with the Atacama Large Millimeter/Submillimeter Array (ALMA). We analyze the ALMA visibilities in tandem with the broadband spectral energy distribution to measure the radial surface density profiles of dust and gas emission from the system. The dust surface density decreases with radius between ∼100 and 310 au, with a marginally significant enhancement of surface density at a radius of ∼110 au. The SED requires an inner disk of small grains in addition to the outer disk of larger grains resolved by ALMA. The gas disk exhibits a surface density profile that increases with radius, contrary to most previous spatially resolved observations of circumstellar gas disks. While ∼80% of the CO flux is well described by an axisymmetric power-law disk in Keplerian rotation about the central star, residuals at ∼20% of the peak flux exhibit a departure from axisymmetry suggestive of spiral arms or a warp in the gas disk. The radial extent of the gas disk (∼220 au) is smaller than that of the dust disk (∼300 au), consistent with recent observations of other gas-bearing debris disks. While there are so far only three broad debris disks with well characterized radial dust profiles at millimeter wavelengths, 49 Ceti’s disk shows a markedly different structure from two radially resolved gas-poor debris disks, implying that the physical processes generating and sculpting the gas and dust are fundamentally different.

  12. Vanishing tattoo multi-sensor for biomedical diagnostics

    Science.gov (United States)

    Moczko, E.; Meglinski, I.; Piletsky, S.

    2008-04-01

    Currently, precise non-invasive diagnostics systems for the real-time multi detection and monitoring of physiological parameters and chemical analytes in the human body are urgently required by clinicians, physiologists and bio-medical researchers. We have developed a novel cost effective smart 'vanishing tattoo' (similar to temporary child's tattoos) consisting of environmental-sensitive dyes. Painlessly impregnated into the skin the smart tattoo is capable of generating optical/fluorescence changes (absorbance, transmission, reflectance, emission and/or luminescence within UV, VIS or NIR regions) in response to physical or chemical changes. These changes allow the identification of colour pattern changes similar to bar-code scanning. Such a system allows an easy, cheap and robust comprehensive detection of various parameters and analytes in a small volume of sample (e.g. variations in pH, temperature, ionic strength, solvent polarity, presence of redox species, surfactants, oxygen). These smart tattoos have possible applications in monitoring the progress of disease and transcutaneous drug delivery. The potential of this highly innovative diagnostic tool is wide and diverse and can impact on routine clinical diagnostics, general therapeutic management, skin care and cosmetic products testing as well as fundamental physiological investigations.

  13. The use of surface power for characterisation of structure-borne sound sources of low modal density

    DEFF Research Database (Denmark)

    Ohlrich, Mogens

    1996-01-01

    The use of the surface power methods for source characterisaiton of vibrating machinery of low modal density is investigated in this paper. It was demonstrated by Ohlrich and Larsen that this relatively simple, but very useful measurement technique for quantifying the vibratory strength of machin......The use of the surface power methods for source characterisaiton of vibrating machinery of low modal density is investigated in this paper. It was demonstrated by Ohlrich and Larsen that this relatively simple, but very useful measurement technique for quantifying the vibratory strength...

  14. Vortices on hyperbolic surfaces

    International Nuclear Information System (INIS)

    Manton, Nicholas S; Rink, Norman A

    2010-01-01

    It is shown that Abelian Higgs vortices on a hyperbolic surface M can be constructed geometrically from holomorphic maps f: M → N, where N is also a hyperbolic surface. The fields depend on f and on the metrics of M and N. The vortex centres are the ramification points, where the derivative of f vanishes. The magnitude of the Higgs field measures the extent to which f is locally an isometry. Witten's construction of vortices on the hyperbolic plane is rederived, and new examples of vortices on compact surfaces and on hyperbolic surfaces of revolution are obtained. The interpretation of these solutions as SO(3)-invariant, self-dual SU(2) Yang-Mills fields on R 4 is also given.

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

    Science.gov (United States)

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

    2017-01-27

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

  16. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    DEFF Research Database (Denmark)

    Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas

    2012-01-01

    A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfit......A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding...... the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error...... sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this....

  17. Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster.

    Science.gov (United States)

    Gould, Tim; Pittalis, Stefano

    2017-12-15

    Ensemble density functional theory is a promising method for the efficient and accurate calculation of excitations of quantum systems, at least if useful functionals can be developed to broaden its domain of practical applicability. Here, we introduce a guaranteed single-valued "Hartree-exchange" ensemble density functional, E_{Hx}[n], in terms of the right derivative of the universal ensemble density functional with respect to the coupling constant at vanishing interaction. We show that E_{Hx}[n] is straightforwardly expressible using block eigenvalues of a simple matrix [Eq. (14)]. Specialized expressions for E_{Hx}[n] from the literature, including those involving superpositions of Slater determinants, can now be regarded as originating from the unifying picture presented here. We thus establish a clear and practical description for Hartree and exchange in ensemble systems.

  18. Near Surface Stoichiometry in UO2: A Density Functional Theory Study

    Directory of Open Access Journals (Sweden)

    Jianguo Yu

    2015-01-01

    Full Text Available The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110 surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT calculations. On the basis of the point-defect model (PDM, a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric.

  19. Density functional study of TaSin (n = 1-3, 12) clusters adsorbed to graphene surface

    International Nuclear Information System (INIS)

    Guo Ping; Zheng Lin; Zheng Jiming; Zhang Ruizhi; Yang Luna; Ren, Zhaoyu

    2011-01-01

    A plane-wave density functional theory (DFT) calculations have been performed to investigate structural and electronic properties of TaSi n (n = 1-3, 12) clusters supported by graphene surface. The resulting adsorption structures are described and discussed in terms of stability, bonding, and electron transfer between the cluster and the graphene. The TaSi n clusters on graphene surface favor their free-standing ground-state structures. Especially in the cases of the linear TaSi 2 and the planar TaSi 3 , the graphene surface may catalyze the transition of the TaSi n clusters from an isomer of lower dimensionality into the ground-state structure. The adsorption site and configuration of TaSi n on graphene surface are dominated by the interaction between Ta atom and graphene. Ta atom prefers to adsorb on the hollow site of graphene, and Si atoms tend to locate on the bridge site. Further, the electron transfer is found to proceed from the cluster to the surface for n = 1 and 2, while its direction reverses as n > 2. For the case of TaSi, chemisorption is shown to prevail over physisorption as the dominant mode of surface-adsorbate interaction by charge density analysis.

  20. Pressure and surface tension of soild-liquid interface using Tarazona density functional theory

    Directory of Open Access Journals (Sweden)

    M. M.

    2000-12-01

    Full Text Available   The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is plotted in three dimensions. We also calculate the pressure and compare it with the Carnahan-starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation.

  1. Density functional calculation of electronic surface structure and Fe adsorption on ZnO (0001) and (000 anti 1)

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Sougata; Jasper-Toennies, Torben; Hack, Michael; Pehlke, Eckhard [Institut fuer Theoretische Physik und Astrophysik, Universitaet Kiel (Germany)

    2011-07-01

    The structure and electronic properties of the ZnO(0001) and ZnO(000 anti 1) surfaces as studied by density functional calculations are presented. The stability of the surface has already been investigated by various groups. The electronic surface band structure, however, in particular the existence of surface states and the differences between experimental band dispersion for both terminations, still appears to pose open problems. To address these issues, we compare Kohn Sham band structures and electrostatic potentials close to the surface for the relaxed (1 x 1)-surface, (2 x 2) vacancy reconstructions, and surfaces with pits. In particular the effect of the bending of the electrostatic potential at the surface on the eigenstates is quantified. Comparing the adsorption energies of Fe atoms for various adsorption sites on ZnO(000 anti 1), the fcc hollow position turned out to be energetically favorable. The oxidation state of the Fe atom is derived from the projected density of states.

  2. An analysis of the impact of native oxide, surface contamination and material density on total electron yield in the absence of surface charging effects

    Energy Technology Data Exchange (ETDEWEB)

    Iida, Susumu, E-mail: susumu.iida@toshiba.co.jp [EUVL Infrastructure Development Center, Inc., 16-1 Onogawa, Tsukuba-shi, Ibaraki-ken, 305-8569 (Japan); Ohya, Kaoru [Institute of Technology and Science, The University of Tokushima, 2-1 Minamijyousanjima-cho,Tokushima, 770-8506 (Japan); Hirano, Ryoichi; Watanabe, Hidehiro [EUVL Infrastructure Development Center, Inc., 16-1 Onogawa, Tsukuba-shi, Ibaraki-ken, 305-8569 (Japan)

    2016-10-30

    Highlights: • Total electron yields were assessed in the absence of any surface charging effect. • Experimental and simulation results showed a low native oxide energy barrier. • The yield enhancement effect of a native oxide layer was confirmed. • The yield enhancement effect of a thin surface contamination layer was confirmed. • Deviations in the material density from the theoretical values were evaluated. - Abstract: The effects of the presence of a native oxide film or surface contamination as well as variations in material density on the total electron yield (TEY) of Ru and B{sub 4}C were assessed in the absence of any surface charging effect. The experimental results were analyzed using semi-empirical Monte Carlo simulations and demonstrated that a native oxide film increased the TEY, and that this effect varied with film thickness. These phenomena were explained based on the effect of the backscattered electrons (BSEs) at the interface between Ru and RuO{sub 2}, as well as the lower potential barrier of RuO{sub 2}. Deviations in the material density from the theoretical values were attributed to the film deposition procedure based on fitting simulated TEY curves to experimental results. In the case of B{sub 4}C, the TEY was enhanced by the presence of a 0.8-nm-thick surface contamination film consisting of oxygenated hydrocarbons. The effect of the low potential barrier of the contamination film was found to be significant, as the density of the B{sub 4}C was much lower than that of the Ru. Comparing the simulation parameters generated in the present work with Joy’s database, it was found that the model and the input parameters used in the simulations were sufficiently accurate.

  3. Application of response surface methodology to optimize uranium biological leaching at high pulp density

    International Nuclear Information System (INIS)

    Fatemi, Faezeh; Arabieh, Masoud; Jahani, Samaneh

    2016-01-01

    The aim of the present study was to carry out uranium bioleaching via optimization of the leaching process using response surface methodology. For this purpose, the native Acidithiobacillus sp. was adapted to different pulp densities following optimization process carried out at a high pulp density. Response surface methodology based on Box-Behnken design was used to optimize the uranium bioleaching. The effects of six key parameters on the bioleaching efficiency were investigated. The process was modeled with mathematical equation, including not only first and second order terms, but also with probable interaction effects between each pair of factors.The results showed that the extraction efficiency of uranium dropped from 100% at pulp densities of 2.5, 5, 7.5 and 10% to 68% at 12.5% of pulp density. Using RSM, the optimum conditions for uranium bioleaching (12.5% (w/v)) were identified as pH = 1.96, temperature = 30.90 C, stirring speed = 158 rpm, 15.7% inoculum, FeSO 4 . 7H 2 O concentration at 13.83 g/L and (NH 4 ) 2 SO 4 concentration at 3.22 g/L which achieved 83% of uranium extraction efficiency. The results of uranium bioleaching experiment using optimized parameter showed 81% uranium extraction during 15 d. The obtained results reveal that using RSM is reliable and appropriate for optimization of parameters involved in the uranium bioleaching process.

  4. Density functional study of NO adsorption on undefected and oxygen defective Au–BaO(1 0 0) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Añez, Rafael, E-mail: ranez@ivic.gob.ve [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Sierraalta, Aníbal; Bastardo, Anelisse [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Coll, David [Laboratorio de Físico Química Teórica de Materiales, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Garcia, Belkis [Instituto Universitario de Tecnología de Valencia IUTVAL, Valencia, Edo. Carabobo (Venezuela, Bolivarian Republic of)

    2014-07-01

    A periodic density functional approach has been used in order to explore the interaction of NO with undoped and Au doped BaO(1 0 0) surface. Due to oxygen vacancies increase the interaction between the doping metal and the surface, F{sub S} and F{sub S}{sup +} vacancies were studied and compared with the results obtained on the undefected doped BaO(1 0 0). Our results indicate that the high basicity of the BaO surface, besides the electron density changes produced by the oxygen vacancies, modify considerably how the Au atom interacts with the surface increasing the ionic character of the interaction. F{sub S} vacancy shows to be a promise center to activate de NO bond on the BaO(1 0 0) surface.

  5. Evolution effects of the copper surface morphology on the nucleation density and growth of graphene domains at different growth pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hedayat, Seyed Mahdi [Transport Phenomena & Nanotechnology Lab., School of Chemical Engineering, College of Engineering, University of Tehran (Iran, Islamic Republic of); Karimi-Sabet, Javad, E-mail: j_karimi@alum.sharif.edu [NFCRS, Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Shariaty-Niassar, Mojtaba, E-mail: mshariat@ut.ac.ir [Transport Phenomena & Nanotechnology Lab., School of Chemical Engineering, College of Engineering, University of Tehran (Iran, Islamic Republic of)

    2017-03-31

    Highlights: • Manipulation of the Cu surface morphology in a wide range by electropolishing treatment. • Comparison of the nucleation density of graphene at low pressure and atmospheric pressure CVD processes. • Controlling the evolution of the Cu surface morphology inside a novel confined space. • Growth of large-size graphene domains. - Abstract: In this work, we study the influence of the surface morphology of the catalytic copper substrate on the nucleation density and the growth rate of graphene domains at low and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) processes. In order to obtain a wide range of initial surface morphology, precisely controlled electropolishing methods were developed to manipulate the roughntreess value of the as-received Cu substrate (RMS = 30 nm) to ultra-rough (RMS = 130 nm) and ultra-smooth (RMS = 2 nm) surfaces. The nucleation and growth of graphene domains show obviously different trends at LPCVD and APCVD conditions. In contrast to APCVD condition, the nucleation density of graphene domains is almost equal in substrates with different initial roughness values at LPCVD condition. We show that this is due to the evolution of the surface morphology of the Cu substrate during the graphene growth steps. By stopping the surface sublimation of copper substrate in a confined space saturated with Cu atoms, the evolution of the Cu surface was impeded. This results in the reduction of the nucleation density of graphene domains up to 24 times in the pre-smoothed Cu substrates at LPCVD condition.

  6. Evolution effects of the copper surface morphology on the nucleation density and growth of graphene domains at different growth pressures

    International Nuclear Information System (INIS)

    Hedayat, Seyed Mahdi; Karimi-Sabet, Javad; Shariaty-Niassar, Mojtaba

    2017-01-01

    Highlights: • Manipulation of the Cu surface morphology in a wide range by electropolishing treatment. • Comparison of the nucleation density of graphene at low pressure and atmospheric pressure CVD processes. • Controlling the evolution of the Cu surface morphology inside a novel confined space. • Growth of large-size graphene domains. - Abstract: In this work, we study the influence of the surface morphology of the catalytic copper substrate on the nucleation density and the growth rate of graphene domains at low and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) processes. In order to obtain a wide range of initial surface morphology, precisely controlled electropolishing methods were developed to manipulate the roughntreess value of the as-received Cu substrate (RMS = 30 nm) to ultra-rough (RMS = 130 nm) and ultra-smooth (RMS = 2 nm) surfaces. The nucleation and growth of graphene domains show obviously different trends at LPCVD and APCVD conditions. In contrast to APCVD condition, the nucleation density of graphene domains is almost equal in substrates with different initial roughness values at LPCVD condition. We show that this is due to the evolution of the surface morphology of the Cu substrate during the graphene growth steps. By stopping the surface sublimation of copper substrate in a confined space saturated with Cu atoms, the evolution of the Cu surface was impeded. This results in the reduction of the nucleation density of graphene domains up to 24 times in the pre-smoothed Cu substrates at LPCVD condition.

  7. Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

    Science.gov (United States)

    Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

    2016-10-01

    Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

  8. The parity-preserving massive QED3: Vanishing β-function and no parity anomaly

    Directory of Open Access Journals (Sweden)

    O.M. Del Cima

    2015-11-01

    Full Text Available The parity-preserving massive QED3 exhibits vanishing gauge coupling β-function and is parity and infrared anomaly free at all orders in perturbation theory. Parity is not an anomalous symmetry, even for the parity-preserving massive QED3, in spite of some claims about the possibility of a perturbative parity breakdown, called parity anomaly. The proof is done by using the algebraic renormalization method, which is independent of any regularization scheme, based on general theorems of perturbative quantum field theory.

  9. Investigation of surface charge density on solid–liquid interfaces by modulating the electrical double layer

    International Nuclear Information System (INIS)

    Moon, Jong Kyun; Song, Myung Won; Pak, Hyuk Kyu

    2015-01-01

    A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid–liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid–liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a dc bias voltage across the plates, an ac electric current can be generated. By measuring the voltage drop across a load resistor as a function of bias voltage, we can study the surface charge density on solid–liquid interfaces. Our experimental results agree very well with the simple equivalent electrical circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. We expect this method to aid in the study of electrical phenomena on solid–liquid interfaces. (paper)

  10. Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

    International Nuclear Information System (INIS)

    Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

    2014-01-01

    The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

  11. Understanding the Effect of Atmospheric Density on the Cosmic Ray Flux Variations at the Earth Surface

    OpenAIRE

    Dayananda, Mathes; Zhang, Xiaohang; Butler, Carola; He, Xiaochun

    2013-01-01

    We report in this letter for the first time the numerical simulations of muon and neutron flux variations at the surface of the earth with varying air densities in the troposphere and stratosphere. The simulated neutron and muon flux variations are in very good agreement with the measured neutron flux variation in Oulu and the muon flux variation in Atlanta. We conclude from this study that the stratosphere air density variation dominates the effects on the muon flux changes while the density...

  12. Positron study of electron momentum density and Fermi surface in titanium and zirconium

    International Nuclear Information System (INIS)

    Suzuki, Ryoichi; Osawa, Makoto; Tanigawa, Shoichiro; Matsumoto, Makoto; Shiotani, Nobuhiro.

    1989-01-01

    The three dimensional electron-positron momentum densities have been obtained on Ti and Zr from measurements of two dimensional angular correlation of positron annihilation radiation followed by an image reconstruction technique based on direct Fourier transformation. Augmented-plane wave band structure calculations have been carried out and the results are compared with the experiments. Agreement between the experiment and the theory leads to a conclusion that both Ti and Zr have electron surface sheets which are centered at H and hole surface sheets which are running along the Γ-A axis. (author)

  13. On high-order perturbative calculations at finite density

    Energy Technology Data Exchange (ETDEWEB)

    Ghişoiu, Ioan, E-mail: ioan.ghisoiu@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland); Gorda, Tyler, E-mail: tyler.gorda@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland); Department of Physics, University of Colorado Boulder, Boulder, CO (United States); Kurkela, Aleksi, E-mail: aleksi.kurkela@cern.ch [Theoretical Physics Department, CERN, Geneva (Switzerland); Faculty of Science and Technology, University of Stavanger, Stavanger (Norway); Romatschke, Paul, E-mail: paul.romatschke@colorado.edu [Department of Physics, University of Colorado Boulder, Boulder, CO (United States); Center for Theory of Quantum Matter, University of Colorado, Boulder, CO (United States); Säppi, Matias, E-mail: matias.sappi@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland); Vuorinen, Aleksi, E-mail: aleksi.vuorinen@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland)

    2017-02-15

    We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes — a result reminiscent of a previously proposed “naive real-time formalism” for vacuum diagrams. Applications of these rules are discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbative orders.

  14. Some evidence for the high density phase of excitons in CdS

    International Nuclear Information System (INIS)

    Rueckmann, I.; May, V.; Voigt, J.

    1980-01-01

    Reflection spectra without and with additional pumping are measured in CdS at 1.8 and 77 K, respectively, starting from very low pump intensities. At low pump intensities a special behaviour of the reflection minimum is found indicating the importance of an exciton dead layer. The experimental spectra up to the highest pump intensities can be fitted very well taking into account spatial dispersion, exciton dead layer, and density dependent excitonic parameters. Polarizability, damping, and layer thickness change continuously in the whole range of excitation intensities. On the other side, the transverse dielectric function of a high density gas of interacting 1s excitons is calculated. A comparison between theoretically and experimentally obtained excitonic parameters at different densities shows good agreement. Hence, the importance of many-exciton interaction for the reflection spectra up to vanishing at highest pump intensities is concluded. (author)

  15. Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study.

    Science.gov (United States)

    Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

    2017-07-21

    The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C 12 E 8 ) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

  16. No evidence that polymorphisms of the vanishing white matter disease genes are risk factors in multiple sclerosis

    NARCIS (Netherlands)

    Pronk, J.C.; Scheper, G.C.; Andel, R.J.; van Berkel, C.G.M.; Polman, C.H.; Uitdehaag, B.M.J.; van der Knaap, M.S.

    2008-01-01

    Febrile infections are known to cause exacerbations in the white matter disorders 'vanishing white matter' (VWM) and multiple sclerosis (MS). We hypothesized that polymorphisms in EIF2B1-5, the genes involved in VWM, might be risk factors for the development of MS or temperature sensitivity in

  17. Effect of hydrogen addition on burning rate and surface density of turbulent lean premixed methane-air flames

    International Nuclear Information System (INIS)

    Guo, H.; Tayebi, B.; Galizzi, C.; Escudie, D.

    2009-01-01

    Hydrogen (H 2 ) is a clean burning component, but relatively expensive. Mixing a small amount of hydrogen with other fuels is an effective way to use H 2 . H 2 enriched combustion significantly improves fuel efficiency and reduces pollutant (nitrogen oxide and particulate matter) emissions. This presentation discussed the effect of hydrogen addition on burning rate and surface density of turbulent lean premixed methane-air flames. The presentation discussed flame configuration; the experimental methodology using laser tomography; and results for typical images, burning velocity, ratio of turbulent to laminar burning velocities, flame surface density, curvature, flame brush thickness, and integrated flame surface area. It was concluded that the increase of turbulent burning velocity was faster than that of laminar burning velocity, which contradicted traditional theory. figs.

  18. Texture one zero Dirac neutrino mass matrix with vanishing determinant or trace condition

    Science.gov (United States)

    Singh, Madan

    2018-06-01

    In the light of non-zero and relatively large value of rector mixing angle (θ13), we have performed a detailed analysis of texture one zero neutrino mass matrix Mν in the scenario of vanishing determinant/trace conditions, assuming the Dirac nature of neutrinos. In both the scenarios, normal mass ordering is ruled out for all the six possibilities of Mν, however for inverted mass ordering, only two are found to be viable with the current neutrino oscillation data at 3σ confidence level. Numerical and some approximate analytical results are presented.

  19. Application of response surface methodology to optimize uranium biological leaching at high pulp density

    Energy Technology Data Exchange (ETDEWEB)

    Fatemi, Faezeh; Arabieh, Masoud; Jahani, Samaneh [NSTRI, Tehran (Iran, Islamic Republic of). Nuclear Fuel Cycle Research School

    2016-08-01

    The aim of the present study was to carry out uranium bioleaching via optimization of the leaching process using response surface methodology. For this purpose, the native Acidithiobacillus sp. was adapted to different pulp densities following optimization process carried out at a high pulp density. Response surface methodology based on Box-Behnken design was used to optimize the uranium bioleaching. The effects of six key parameters on the bioleaching efficiency were investigated. The process was modeled with mathematical equation, including not only first and second order terms, but also with probable interaction effects between each pair of factors.The results showed that the extraction efficiency of uranium dropped from 100% at pulp densities of 2.5, 5, 7.5 and 10% to 68% at 12.5% of pulp density. Using RSM, the optimum conditions for uranium bioleaching (12.5% (w/v)) were identified as pH = 1.96, temperature = 30.90 C, stirring speed = 158 rpm, 15.7% inoculum, FeSO{sub 4} . 7H{sub 2}O concentration at 13.83 g/L and (NH{sub 4}){sub 2}SO{sub 4} concentration at 3.22 g/L which achieved 83% of uranium extraction efficiency. The results of uranium bioleaching experiment using optimized parameter showed 81% uranium extraction during 15 d. The obtained results reveal that using RSM is reliable and appropriate for optimization of parameters involved in the uranium bioleaching process.

  20. Morphological features of the copper surface layer under sliding with high density electric current

    Energy Technology Data Exchange (ETDEWEB)

    Fadin, V. V., E-mail: fvv@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Aleutdinova, M. I., E-mail: aleut@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Seversk Technological Institute, Branch of State Autonomous Educational Institution of Higher Professional Education “National Research Nuclear University “MEPhI”, Seversk, 636036 (Russian Federation); Rubtsov, V. Ye., E-mail: rvy@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Aleutdinova, V. A., E-mail: valery-aleut@yandex.ru [National Research St. Petersburg State Polytechnical University, St. Petersburg, 195251 (Russian Federation)

    2015-10-27

    Conductivity and wear intensity of copper under the influence of dry friction and electric current with contact density higher 100 A/cm{sup 2} are presented. It is shown that an increase in hardness and heat outflow from a friction zone leads to the reduction of wear intensity and current contact density increase corresponding to the beginning of catastrophic wear. Structural changes, such as the formation of FeO oxide and α-Fe particles in the copper surface layer, have also been found. It is observed that a worn surface is deformed according to a viscous liquid mechanism. Such singularity is explained in terms of appearance of high-excited atomic states in deforming micro-volumes near contact spots that lead to easy stress relaxation by local plastic shears in the vicinity of stress concentrators. In common this effect allows to achieve high wear resistance.

  1. STIR Proposal For Research Area 2.1.2 Surface Energy Balance: Transient Soil Density Impacts Land Surface Characteristics and Characterization

    Science.gov (United States)

    2015-12-22

    al., 2008; Logsdon, 2012; Liu et al., 2014). Freeze-thaw processes alter surface density and arrangement seasonally (Staricka and Benoit , 1995... Ma , L., L.R. Ahuja, B.T. Nolan, R.W. Malone, T.J. Trout, and Z. Qi. 2012. Root zone water quality model (RZWQM2): model use, calibration, and

  2. Densities of carbon foils

    International Nuclear Information System (INIS)

    Stoner, J.O. Jr.

    1991-01-01

    The densities of arc-evaporated carbon target foils have been measured by several methods. The density depends upon the method used to measure it; for the same surface density, values obtained by different measurement techniques may differ by fifty percent or more. The most reliable density measurements are by flotation, yielding a density of 2.01±0.03 g cm -3 , and interferometric step height with the surface density known from auxiliary measurements, yielding a density of 2.61±0.4 g cm -3 . The difference between these density values mayy be due in part to the compressive stresses that carbon films have while still on their substrates, uncertainties in the optical calibration of surface densities of carbon foils, and systematic errors in step-height measurements. Mechanical thickness measurements by micrometer caliper are unreliable due to nonplanarity of these foils. (orig.)

  3. Application of the Eötvos and Guggenheim empirical rules for predicting the density and surface tension of ionic liquids analogues

    Energy Technology Data Exchange (ETDEWEB)

    Mjalli, Farouq S., E-mail: farouqsm@yahoo.com [Petroleum and Chemical Engineering Department, Sultan Qaboos University, 123 Sultanate of Oman (Oman); Vakili-Nezhaad, Gholamreza; Shahbaz, Kaveh [School of Engineering, Taylor' s University, 47500 Selangor (Malaysia); AlNashef, Inas M. [Chemical Engineering Department, King Saud University, Riyadh 11421 (Saudi Arabia)

    2014-01-10

    Highlights: • Critical temperatures of eight common DES were calculated using two methods. • Density and surface tension were calculated using the Rackett and Guggenheim equations. • The Rackett method should be used in the low temperature range only. • The Eötvos and Guggenheim methods gave best density and surface tension predictions. - Abstract: The recent continuing interest in deep eutectic solvents (DES) as ionic liquids analogues and their successful applications in different areas of separation necessities the existence of reliable physical and thermodynamic properties database. The scarcity of data on the physical properties of such solvents, increases the need for their prediction using reliable methods. In this study, first the critical temperatures of eight DES systems have been calculated based on the Eötvos empirical equation using the experimental data of the density and surface tension at various temperatures, then the density and surface tension values of these systems were predicted from the calculated critical temperatures. For the density prediction the Eötvos and Guggenheim equations were combined to introduce a simple power law equation using the estimated critical temperatures from the Eötvos and the Modified Lydersen–Joback–Reid group contribution methods. Finally, the estimated critical temperatures by these two methods were used in the Guggenheim empirical equation to calculate the surface tension of the DES systems. The prediction quality of the two physical properties under investigation were compared and proper recommendations were postulated.

  4. Application of the Eötvos and Guggenheim empirical rules for predicting the density and surface tension of ionic liquids analogues

    International Nuclear Information System (INIS)

    Mjalli, Farouq S.; Vakili-Nezhaad, Gholamreza; Shahbaz, Kaveh; AlNashef, Inas M.

    2014-01-01

    Highlights: • Critical temperatures of eight common DES were calculated using two methods. • Density and surface tension were calculated using the Rackett and Guggenheim equations. • The Rackett method should be used in the low temperature range only. • The Eötvos and Guggenheim methods gave best density and surface tension predictions. - Abstract: The recent continuing interest in deep eutectic solvents (DES) as ionic liquids analogues and their successful applications in different areas of separation necessities the existence of reliable physical and thermodynamic properties database. The scarcity of data on the physical properties of such solvents, increases the need for their prediction using reliable methods. In this study, first the critical temperatures of eight DES systems have been calculated based on the Eötvos empirical equation using the experimental data of the density and surface tension at various temperatures, then the density and surface tension values of these systems were predicted from the calculated critical temperatures. For the density prediction the Eötvos and Guggenheim equations were combined to introduce a simple power law equation using the estimated critical temperatures from the Eötvos and the Modified Lydersen–Joback–Reid group contribution methods. Finally, the estimated critical temperatures by these two methods were used in the Guggenheim empirical equation to calculate the surface tension of the DES systems. The prediction quality of the two physical properties under investigation were compared and proper recommendations were postulated

  5. Do galaxy global relationships emerge from local ones? The SDSS IV MaNGA surface mass density-metallicity relation

    Science.gov (United States)

    Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zhu, Guangtun B.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Law, David; Wake, David; Green, Jenny E.; Bizyaev, Dmitry; Oravetz, Daniel; Simmons, Audrey; Malanushenko, Elena; Pan, Kaike; Roman Lopes, Alexandre; Lane, Richard R.

    2016-12-01

    We present the stellar surface mass density versus gas metallicity (Σ*-Z) relation for more than 500 000 spatially resolved star-forming resolution elements (spaxels) from a sample of 653 disc galaxies included in the SDSS IV MaNGA survey. We find a tight relation between these local properties, with higher metallicities as the surface density increases. This relation extends over three orders of magnitude in the surface mass density and a factor of 4 in metallicity. We show that this local relationship can simultaneously reproduce two well-known properties of disc galaxies: their global mass-metallicity relationship and their radial metallicity gradients. We also find that the Σ*-Z relation is largely independent of the galaxy's total stellar mass and specific star formation rate (sSFR), except at low stellar mass and high sSFR. These results suggest that in the present-day universe local properties play a key role in determining the gas-phase metallicity in typical disc galaxies.

  6. Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities

    Energy Technology Data Exchange (ETDEWEB)

    Rahmani, Farzin; Nouranian, Sasan, E-mail: sasan@olemiss.edu; Mahdavi, Mina [University of Mississippi, Department of Chemical Engineering (United States); Al-Ostaz, Ahmed [University of Mississippi, Department of Civil Engineering (United States)

    2016-11-15

    In this fundamental study, a series of molecular dynamics simulations were performed in vacuo to investigate the energetics and select geometries of 20 standard amino acids (AAs) on pristine graphene (PG) and graphene oxide (GO) surfaces as a function of graphene surface oxygen density. These interactions are of key interest to graphene/biomolecular systems. Our results indicate that aromatic AAs exhibit the strongest total interactions with the PG surfaces due to π-π stacking. Tryptophan (Trp) has the highest aromaticity due to its indole side chain and, hence, has the strongest interaction among all AAs (−16.66 kcal/mol). Aliphatic, polar, and charged AAs show various levels of affinity to the PG sheets depending on the strength of their side chain hydrophobic interactions. For example, arginine (Arg) with its guanidinium side chain exhibits the strongest interaction with the PG sheets (−13.81 kcal/mol) following aromatic AAs. Also, glycine (Gly; a polar AA) has the weakest interaction with the PG sheets (−7.29 kcal/mol). When oxygen-containing functional groups are added to the graphene sheets, the π-π stacking in aromatic AAs becomes disrupted and perfect parallelism of the aromatic rings is lost. Moreover, hydrogen bonding and/or electrostatic interactions become more pronounced. Charged AAs exhibit the strongest interactions with the GO surfaces. In general, the AA-GO interactions increase with increasing surface oxygen density, and the effect is more pronounced at higher O/C ratios. This study provides a quantitative measure of AA-graphene interactions for the design and tuning of biomolecular systems suitable for biosensing, drug delivery, and gene delivery applications.

  7. Vanishing bone disease of the orbital roof: now you see it, now you don't

    International Nuclear Information System (INIS)

    Dharsono, Ferry; Van Heerden, Jolandi; McAuliffe, William; Ardakani, Nima M.; Franconi, Catherine; Honeybul, Stephen; Lind, Christopher R.

    2014-01-01

    We describe a rare case of vascularised orbital roof and calvarial erosions with an associated venous malformation. In the absence of infection, malignancy, trauma and eosinophillic granuloma, the closest previously described entity is vanishing bone disease. Computed tomography (CT), MRI, catheter angiography and pathology were all important in the diagnostic workup to enable surgical planning for biopsy and reconstruction. Ongoing CT and MRI follow-up imaging will determine future treatment planning.

  8. Pressure and surface tension of solid-liquid interface using Tara zona density functional theory

    International Nuclear Information System (INIS)

    Moradi, M.; Kavosh Tehrani, M.

    2001-01-01

    The weighted density functional theory proposed by Tara zona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this research we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is pitted in three dimensions. We also calculate the pressure and compare it with the Carnahan-Starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation

  9. A density functional theory study of the TMG adsorption on the GaN surface

    Energy Technology Data Exchange (ETDEWEB)

    Ptasinska, Maria; Soltys, Jakub; Piechota, Jacek [Interdisciplinary Centre for Materials Modelling, University of Warsaw, ul. Pawinskiego 5a, 02-106 Warszawa (Poland); Krukowski, Stanislaw [Interdisciplinary Centre for Materials Modelling, University of Warsaw, ul. Pawinskiego 5a, 02-106 Warszawa (Poland); Institute of High Pressure Physics, Polish Academy of Sciences, ul. Sokolowska 29/37, 01-142 Warsaw (Poland)

    2011-07-01

    TMG (trimetylogallium) and NH{sub 3} (ammonia) are widely used reactants in the metal organic chemical vapor deposition (MOCVD) technique used in the growth of the GaN thin films. We have recently examined theoretically, with the help of the density functional theory (DFT), TMG adsorption on the GaN(0001) surface in order to study formation of bonds between Ga and N. Dangling bonds on the GaN(0001) surface were saturated with the hydrogen atoms. The slab polarization, which is due to the dangling bonds present on the GaN(0001) surface, and energy of the system in the vicinity of TMG was computed for different distances between the surface atoms and TMG. We also studied TMG diffusion on the GaN surface. As a result, the energy path for diffusion from Top N to Hollow was obtained.

  10. Density Functional Theory Study of Leaching Performance of Different Acids on Pyrochlore (100) Surface

    Science.gov (United States)

    Yang, Xiuli; Fang, Qing; Ouyang, Hui

    2018-06-01

    Pyrochlore leaching using hydrofluoric, sulfuric, and hydrochloric acids has been studied via experimental methods for years, but the interactions between niobium atoms on the pyrochlore surface and different acids have not been investigated. In this work, first-principles calculations based on density functional theory were used to elucidate the leaching performance of these three acids from the viewpoint of geometrical and electronic structures. The calculation results indicate that sulfate, chloride, and fluoride anions influence the geometric structure of pyrochlore (100) to different extents, decreasing in the order: sulfate, fluoride, chloride. Orbitals of O1 and O2 atoms of sulfate hybridized with those of surface niobium atom. Fluorine orbitals hybridized with those of surface niobium atoms. However, no obvious overlap exists between any orbitals of chlorine and surface niobium, revealing that chlorine does not interact chemically with surface niobium atoms.

  11. Covalent Coupling of Nanoparticles with Low-Density Functional Ligands to Surfaces via Click Chemistry

    NARCIS (Netherlands)

    Rianasari, I.; de Jong, Machiel Pieter; Huskens, Jurriaan; van der Wiel, Wilfred Gerard

    2013-01-01

    We demonstrate the application of the 1,3-dipolar cycloaddition (“click‿ reaction) to couple gold nanoparticles (Au NPs) functionalized with low densities of functional ligands. The ligand coverage on the citrate-stabilized Au NPs was adjusted by the ligand:Au surface atom ratio, while maintaining

  12. Near surface bulk density estimates of NEAs from radar observations and permittivity measurements of powdered geologic material

    Science.gov (United States)

    Hickson, Dylan; Boivin, Alexandre; Daly, Michael G.; Ghent, Rebecca; Nolan, Michael C.; Tait, Kimberly; Cunje, Alister; Tsai, Chun An

    2018-05-01

    The variations in near-surface properties and regolith structure of asteroids are currently not well constrained by remote sensing techniques. Radar is a useful tool for such determinations of Near-Earth Asteroids (NEAs) as the power of the reflected signal from the surface is dependent on the bulk density, ρbd, and dielectric permittivity. In this study, high precision complex permittivity measurements of powdered aluminum oxide and dunite samples are used to characterize the change in the real part of the permittivity with the bulk density of the sample. In this work, we use silica aerogel for the first time to increase the void space in the samples (and decrease the bulk density) without significantly altering the electrical properties. We fit various mixing equations to the experimental results. The Looyenga-Landau-Lifshitz mixing formula has the best fit and the Lichtenecker mixing formula, which is typically used to approximate planetary regolith, does not model the results well. We find that the Looyenga-Landau-Lifshitz formula adequately matches Lunar regolith permittivity measurements, and we incorporate it into an existing model for obtaining asteroid regolith bulk density from radar returns which is then used to estimate the bulk density in the near surface of NEA's (101955) Bennu and (25143) Itokawa. Constraints on the material properties appropriate for either asteroid give average estimates of ρbd = 1.27 ± 0.33g/cm3 for Bennu and ρbd = 1.68 ± 0.53g/cm3 for Itokawa. We conclude that our data suggest that the Looyenga-Landau-Lifshitz mixing model, in tandem with an appropriate radar scattering model, is the best method for estimating bulk densities of regoliths from radar observations of airless bodies.

  13. Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths-do we observe the mineral surface?

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Hem, Caroline Piper; Schultz, Logan Nicholas

    2014-01-01

    broadening from macroscopic dielectric effects. We detect water adsorbed on the high surface area synthetic calcite, which permits observation of the chemistry of thin liquid films on calcite using transmission infrared spectroscopy. The combination of infrared spectroscopy and density functional theory also...... asymmetric for the coccoliths and the synthetic calcite prepared using the carbonation method. It can be very well fitted by two peaks: a narrow Lorenzian at lower frequency and a broader Gaussian at higher frequency. These two samples both have a high specific surface area. Density functional theory...

  14. Improving energy conversion efficiency for triboelectric nanogenerator with capacitor structure by maximizing surface charge density.

    Science.gov (United States)

    He, Xianming; Guo, Hengyu; Yue, Xule; Gao, Jun; Xi, Yi; Hu, Chenguo

    2015-02-07

    Nanogenerators with capacitor structures based on piezoelectricity, pyroelectricity, triboelectricity and electrostatic induction have been extensively investigated. Although the electron flow on electrodes is well understood, the maximum efficiency-dependent structure design is not clearly known. In this paper, a clear understanding of triboelectric generators with capacitor structures is presented by the investigation of polydimethylsiloxane-based composite film nanogenerators, indicating that the generator, in fact, acts as both an energy storage and output device. Maximum energy storage and output depend on the maximum charge density on the dielectric polymer surface, which is determined by the capacitance of the device. The effective thickness of polydimethylsiloxane can be greatly reduced by mixing a suitable amount of conductive nanoparticles into the polymer, through which the charge density on the polymer surface can be greatly increased. This finding can be applied to all the triboelectric nanogenerators with capacitor structures, and it provides an important guide to the structural design for nanogenerators. It is demonstrated that graphite particles with sizes of 20-40 nm and 3.0% mass mixed into the polydimethylsiloxane can reduce 34.68% of the effective thickness of the dielectric film and increase the surface charges by 111.27% on the dielectric film. The output power density of the triboelectric nanogenerator with the composite polydimethylsiloxane film is 3.7 W m(-2), which is 2.6 times as much as that of the pure polydimethylsiloxane film.

  15. Surface flux density distribution characteristics of bulk high-Tc superconductor in external magnetic field

    International Nuclear Information System (INIS)

    Torii, S.; Yuasa, K.

    2004-01-01

    Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents

  16. Surface flux density distribution characteristics of bulk high- Tc superconductor in external magnetic field

    Science.gov (United States)

    Torii, S.; Yuasa, K.

    2004-10-01

    Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents.

  17. Methyl Butanoate Adsorption on MoS2 Surface: A Density Functional Theory Investigation

    Directory of Open Access Journals (Sweden)

    Prabowo Wahyu Aji Eko

    2018-01-01

    Full Text Available Methyl butanoate is one of the compound which is obtained from triglyceride molecule. It has hydrocarbon components and hence may produce hydrocarbon through hydrodeoxygenation (HDO or decarbonylation (DCO processes. The first step to uncover the underlying mechanism of HDO or DCO is to find the active site of methyl butanoate adsorption over the catalyst. This study attempts to investigate the active site of methyl butanoate adsorption on MoS2 surface. Stable bonding configuration for methyl butanoate adsorption on MoS2 is investigated by using density functional theory (DFT. This investigation consists of geometry optimisation and adsorption energy calculations. The stable configuration of methyl butanoate adsorption on MoS2 surface is found to be on top of Mo atom in Mo-edge surface.

  18. Vanishing lung syndrome: the importance of the high-resolution CT in its diagnostic

    International Nuclear Information System (INIS)

    Rodriguez Cerezo, M.I.; Porres Azcona, E.; Pina Insausti, L.; Inchusta Sarasibar, M.I.; Mellado Rodriguez, M.

    1995-01-01

    Vanishing lung syndrome, also referred to as idiopathic giant bullions emphysema is a dissolver that has yet to be fully characterized. It is considered a different entry from classic pulmonary emphysema. It is characterized by the presence of large bullae associated with some type of emphysema. High-resolution CT is the best imaging technique to identify the underlying type of emphysema and it helps to determine the viability of the nonbullous lung. We present the case of an asymptomatic patient in whom the diagnosis was suspected on the basis of plain chest X ray and was confirmed by high-resolution CT. 13 refs

  19. Si/C and H coadsorption at 4H-SiC{0001} surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wachowicz, E., E-mail: elwira@ifd.uni.wroc.pl [Institute of Experimental Physics, University of Wrocław, Plac M. Borna 9, PL-50-204 Wrocław (Poland); Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, PL-02-106 Warsaw (Poland)

    2016-06-15

    Highlights: • Si on C-terminated and C on Si-terminated surface adsorb in the H{sub 3} hollow site. • The preferred adsorption site is in contrary to the stacking order of bulk crystal. • The presence of hydrogen increases the adsorption energy of Si/C. • Hydrogen weakens the bonds between the adsorbed Si or C and the surface. • Carbon adsorbs on top of the surface carbon on the C-terminated surface. • With both C and H on Si-terminated surface the surface state vanishes. - Abstract: Density functional theory (DFT) study of adsorption of 0.25 monolayer of either Si or C on 4H-SiC{0001} surfaces is presented. The adsorption in high-symmetry sites on both Si- and C-terminated surfaces was examined and the influence of the preadsorbed 0.25 ML of hydrogen on the Si/C adsorption was considered. It was found out that for Si on C-terminated surface and C on Si-terminated the most favourable is threefolded adsorption site on both clean and H-precovered surface. This is contrary to the bulk crystal stacking order which would require adsorption on top of the topmost surface atom. In those cases, the presence of hydrogen weakens the bonding of the adsorbate. Carbon on the C-terminated surface, only binds on-top of the surface atom. The C−C bond-length is almost the same for the clean surface and for one with H and equals to ∼1.33 Å which is shorter by ∼0.2 than in diamond. The analysis of the electronic structure changes under adsorption is also presented.

  20. Micro-strain, dislocation density and surface chemical state analysis of multication thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jayaram, P., E-mail: jayarampnair@gmail.com [Department of Physics, MES Ponnani College Ponnani, Kerala (India); Pradyumnan, P.P. [Department of Physics, University of Calicut, Kerala 673 635 (India); Karazhanov, S.Zh. [Department for Solar Energy, Institute for Energy Technology, Kjeller (Norway)

    2016-11-15

    Multication complex metal oxide thin films are rapidly expanding the class of materials with many technologically important applications. Herein this work, the surface of the pulsed laser deposited thin films of Zn{sub 2}SnO{sub 4} and multinary compounds obtained by substitution/co-substitution of Sn{sup 4+} with In{sup 3+} and Ga{sup 3+} are studied by X-ray photoelectron emission spectroscopy (X-PES) method. Peaks corresponding to the elements of Zn, Sn, Ga, In and O on the film surface has been identified and contribution of the elements has been studied by the computer aided surface analysis (CASA) software. Binding energies, full-width at half maximum (FWHM), spin-orbit splitting energies, asymmetric peak-shape fitting parameters and quantification of elements in the films are discussed. Studies of structural properties of the films by x-ray diffraction (XRD) technique showed inverse spinel type lattice with preferential orientation. Micro-strain, dislocation density and crystallite sizes in the film surface have been estimated.

  1. Fasciculations and their F-response revisited: High-density surface EMG in ALS and benign fasciculations

    NARCIS (Netherlands)

    Kleine, B.U.; Boekestein, W.A.; Arts, I.M.; Zwarts, M.J.; Schelhaas, H.J.; Stegeman, D.F.

    2012-01-01

    Objective: To compare the prevalence of fasciculation potentials (FPs) with F-responses between patients with amyotrophic lateral sclerosis (ALS) and patients with benign fasciculations. Methods: In seven patients with ALS and seven patients with benign fasciculations, high-density surface EMG was

  2. Surface density profile and surface tension of the one-component classical plasma

    International Nuclear Information System (INIS)

    Ballone, P.; Senatore, G.; Trieste Univ.; Tosi, M.P.; Oxford Univ.

    1982-08-01

    The density profile and the interfacial tension of two classical plasmas in equilibrium at different densities are evaluated in the square-density-gradient approximation. For equilibrium in the absence of applied external voltage, the profile is oscillatory in the higher-density plasma and the interfacial tension is positive. The amplitude and phase of these oscillations and the magnitude of the interfacial tension are related to the width of the background profile. Approximate representations of the equilibrium profile by matching of its asymptotic forms are analyzed. A comparison with computer simulation data and a critical discussion of a local-density theory are also presented. (author)

  3. PEGylation on mixed monolayer gold nanoparticles: Effect of grafting density, chain length, and surface curvature.

    Science.gov (United States)

    Lin, Jiaqi; Zhang, Heng; Morovati, Vahid; Dargazany, Roozbeh

    2017-10-15

    PEGylation on nanoparticles (NPs) is widely used to prevent aggregation and to mask NPs from the fast clearance system in the body. Understanding the molecular details of the PEG layer could facilitate rational design of PEGylated NPs that maximize their solubility and stealth ability without significantly compromising the targeting efficiency and cellular uptake. Here, we use molecular dynamics (MD) simulation to understand the structural and dynamic the PEG coating of mixed monolayer gold NPs. Specifically, we modeled gold NPs with PEG grafting densities ranging from 0-2.76chain/nm 2 , chain length with 0-10 PEG monomers, NP core diameter from 5nm to 500nm. It is found that the area accessed by individual PEG chains gradually transits from a "mushroom" to a "brush" conformation as NP surface curvature become flatter, whereas such a transition is not evident on small NPs when grafting density increases. It is shown that moderate grafting density (∼1.0chain/nm 2 ) and short chain length are sufficient enough to prevent NPs from aggregating in an aqueous medium. The effect of grafting density on solubility is also validated by dynamic light scattering measurements of PEGylated 5nm gold NPs. With respect to the shielding ability, simulations predict that increase either grafting density, chain length, or NP diameter will reduce the accessibility of the protected content to a certain size molecule. Interestingly, reducing NP surface curvature is estimated to be most effective in promoting shielding ability. For shielding against small molecules, increasing PEG grafting density is more effective than increasing chain length. A simple model that includes these three investigated parameters is developed based on the simulations to roughly estimate the shielding ability of the PEG layer with respect to molecules of different sizes. The findings can help expand our current understanding of the PEG layer and guide rational design of PEGylated gold NPs for a particular

  4. Sea surface density gradients in the Nordic Seas during the Holocene as revealed by paired microfossil and isotope proxies

    DEFF Research Database (Denmark)

    Van Nieuwenhove, Nicolas; Hillaire-Marcel, Claude; Bauch, Henning A.

    2016-01-01

    We attempt to assess the Holocene surface-subsurface seawater density gradient on millennial time-scale based on the reconstruction of potential density (σθ) by combining data from dinoflagellate cyst assemblages and planktic foraminiferal (Neogloboquadrina pachyderma (s)) stable oxygen isotopes (δ...

  5. Influence of current density on surface morphology and properties of pulse plated tin films from citrate electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Ashutosh; Bhattacharya, Sumit; Das, Siddhartha; Das, Karabi, E-mail: karabi@metal.iitkgp.ernet.in

    2014-01-30

    Bulk polycrystalline tin films have been processed by pulse electrodeposition technique from a simple solution containing triammonium citrate and stannous chloride. The cathodic investigations have been carried out by galvanostatic methods. As deposited samples are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRD analysis of the deposited films shows microcrystalline grains having β-Sn form. The surface morphology is very rough at lower current density, but becomes smooth at higher current density, and exhibits pyramid type morphology at all the current densities. The effect of current density on microhardness, melting behavior, and electrical resistivity are also reported here.

  6. Test data on electrical contacts at high surface velocities and high current densities for homopolar generators

    International Nuclear Information System (INIS)

    Brennan, M.; Tolk, K.M.; Weldon, W.F.; Rylander, H.G.; Woodson, H.H.

    1977-01-01

    Test data is presented for one grade of copper graphite brush material, Morganite CMlS, over a wide range of surface velocities, atmospheres, and current densities that are expected for fast discharge (<100 ms) homopolar generators. The brushes were run on a copper coated 7075-T6 aluminum disk at surface speeds up to 277 m/sec. One electroplated copper and three flame sprayed copper coatings were used during the tests. Significant differences in contact voltage drops and surface mechanical properties of the copper coatings were observed

  7. Comparison of the surface ion density of silica gel evaluated via spectral induced polarization versus acid-base titration

    Science.gov (United States)

    Hao, Na; Moysey, Stephen M. J.; Powell, Brian A.; Ntarlagiannis, Dimitrios

    2016-12-01

    Surface complexation models are widely used with batch adsorption experiments to characterize and predict surface geochemical processes in porous media. In contrast, the spectral induced polarization (SIP) method has recently been used to non-invasively monitor in situ subsurface chemical reactions in porous media, such as ion adsorption processes on mineral surfaces. Here we compare these tools for investigating surface site density changes during pH-dependent sodium adsorption on a silica gel. Continuous SIP measurements were conducted using a lab scale column packed with silica gel. A constant inflow of 0.05 M NaCl solution was introduced to the column while the influent pH was changed from 7.0 to 10.0 over the course of the experiment. The SIP measurements indicate that the pH change caused a 38.49 ± 0.30 μS cm- 1 increase in the imaginary conductivity of the silica gel. This increase is thought to result from deprotonation of silanol groups on the silica gel surface caused by the rise in pH, followed by sorption of Na+ cations. Fitting the SIP data using the mechanistic model of Leroy et al. (Leroyet al., 2008), which is based on the triple layer model of a mineral surface, we estimated an increase in the silica gel surface site density of 26.9 × 1016 sites m- 2. We independently used a potentiometric acid-base titration data for the silica gel to calibrate the triple layer model using the software FITEQL and observed a total increase in the surface site density for sodium sorption of 11.2 × 1016 sites m- 2, which is approximately 2.4 times smaller than the value estimated using the SIP model. By simulating the SIP response based on the calibrated surface complexation model, we found a moderate association between the measured and estimated imaginary conductivity (R2 = 0.65). These results suggest that the surface complexation model used here does not capture all mechanisms contributing to polarization of the silica gel captured by the SIP data.

  8. Influence of Zinc on the Surface Tension, Density and Molar Volume of (Ag-Sneut +Zn Liquid Alloys

    Directory of Open Access Journals (Sweden)

    Gąsior W.

    2016-03-01

    Full Text Available The dilatometric and maximum bubble pressure methods were applied for the measurements of the density and surface tension of liquid (Ag-Sneut +Zn lead-free solders. The experiments were carried out in the temperature range from 515 to 1223 K for the alloys of the zinc concentration equaling 0.01, 0.02, 0.04, 0.05, 0.1 and 0.2 of the mole fraction. It was found that the temperature dependence of both the density and the surface tension could be thought as linear, so they were interpreted by straight line equations. The experimental data of the molar volume of the investigated alloys were described by the polynomial dependent on the composition and temperature.

  9. Calculating effective diffusivities in the limit of vanishing molecular diffusion

    International Nuclear Information System (INIS)

    Pavliotis, G.A.; Stuart, A.M.; Zygalakis, K.C.

    2009-01-01

    In this paper we study the problem of the numerical calculation (by Monte Carlo methods) of the effective diffusivity for a particle moving in a periodic divergent-free velocity field, in the limit of vanishing molecular diffusion. In this limit traditional numerical methods typically fail, since they do not represent accurately the geometry of the underlying deterministic dynamics. We propose a stochastic splitting method that takes into account the volume-preserving property of the equations of motion in the absence of noise, and when inertial effects can be neglected. An extension of the method is then proposed for the cases where the noise has a non-trivial time-correlation structure and when inertial effects cannot be neglected. The method of modified equations is used to explain failings of Euler-based methods. The new stochastic geometric integrators are shown to outperform standard Euler-based integrators. Various asymptotic limits of physical interest are investigated by means of numerical experiments, using the new integrators

  10. Negative Longitudinal Magnetoresistance in the Density Wave Phase of Y_{2}Ir_{2}O_{7}.

    Science.gov (United States)

    Juyal, Abhishek; Agarwal, Amit; Mukhopadhyay, Soumik

    2018-03-02

    The ground state of nanowires of single-crystalline pyrochlore Y_{2}Ir_{2}O_{7} is a density wave. The application of a transverse magnetic field increases the threshold electric field for the collective depinning of the density wave state at a low temperature, leading to colossal magnetoresistance for voltages around the depinning threshold. This is in striking contrast to the case where even a vanishingly small longitudinal magnetic field sharply reduces the depinning threshold voltage, resulting in negative magnetoresistance. Ruling out several other possibilities, we argue that this phenomenon is likely to be a consequence of the chiral anomaly in the gapped out Weyl semimetal phase in Y_{2}Ir_{2}O_{7}.

  11. Negative Longitudinal Magnetoresistance in the Density Wave Phase of Y2Ir2O7

    Science.gov (United States)

    Juyal, Abhishek; Agarwal, Amit; Mukhopadhyay, Soumik

    2018-03-01

    The ground state of nanowires of single-crystalline pyrochlore Y2Ir2O7 is a density wave. The application of a transverse magnetic field increases the threshold electric field for the collective depinning of the density wave state at a low temperature, leading to colossal magnetoresistance for voltages around the depinning threshold. This is in striking contrast to the case where even a vanishingly small longitudinal magnetic field sharply reduces the depinning threshold voltage, resulting in negative magnetoresistance. Ruling out several other possibilities, we argue that this phenomenon is likely to be a consequence of the chiral anomaly in the gapped out Weyl semimetal phase in Y2Ir2O7 .

  12. Surface heat flow density at the Phlegrean Fields caldera (southern Italy)

    Energy Technology Data Exchange (ETDEWEB)

    Corrado, Gennardo [Naples Univ., Dept. of Geophysics and Volcanology, Naples (Italy); De Lorenzo, Salvatore; Mongelli, Francesco; Tramacere, Antonio; Zito, Gianmaria [Bari Univ., Dept. of Geology and Geophysics, Bari (Italy)

    1998-08-01

    The Phlegrean Fields areas is a Holocene caldera located west of Naples, southern Italy. The recent post caldera activity is characterised by several eruptive centers inside the collapsed areas. In order to investigate the still active volcanic processes, surface heat flow measurement were carried out in 1995 in 30 sites of the Phlegrean Fields and a heat flow map compiled. Filtering of the map reveals some well-defined anomalies superimposed on a general southward-increasing trend. Local anomalies are related to small magma bodies, whereas the observed general trend has been attributed to the effect of ground-water flow. This effect was calculated and removed. The undisturbed mean value of the surface heat flow density in the eastern sector is 149mW/m{sup 2}, which is above the regional value of 85mW/m{sup 2} assigned to the eastern part of the Tyrrhenian Sea, and which is probably influenced by a very large, deep magmatic body. (Author)

  13. Calculating the Maximum Density of the Surface Packing of Ions in Ionic Liquids

    Science.gov (United States)

    Kislenko, S. A.; Moroz, Yu. O.; Karu, K.; Ivaništšev, V. B.; Fedorov, M. V.

    2018-05-01

    The maximum density of monolayer packing on a graphene surface is calculated by means of molecular dynamics (MD) for ions of characteristic size and symmetry: 1-butyl-3-methylimidazolium [BMIM]+, tetrabutylammonium [TBA]+, tetrafluoroborate [BF4]-, dicyanamide [DCA]-, and bis(trifluoromethane) sulfonimide [TFSI]-. The characteristic orientations of ions in a closely packed monolayer are found. It is shown that the formation of a closely packed monolayer is possible for [DCA]- and [BF4]- anions only at surface charges that exceed the limit of the electrochemical stability of the corresponding ionic liquids. For the [TBA]+ cation, a monolayer structure can be observed at the charge of nearly 30 μC/cm2 attainable in electrochemical experiment.

  14. Inversion of gravity and gravity gradiometry data for density contrast surfaces using Cauchy-type integrals

    DEFF Research Database (Denmark)

    Zhdanov, Michael; Cai, Hongzhu

    2014-01-01

    We introduce a new method of modeling and inversion of potential field data generated by a density contrast surface. Our method is based on 3D Cauchy-type integral representation of the potential fields. Traditionally, potential fields are calculated using volume integrals of the domains occupied...

  15. Vanishing corrections on intermediate scale and implications for unification of forces

    International Nuclear Information System (INIS)

    Parida, M.K.

    1996-02-01

    In two-step breakings of a class of grand unified theories including SO(10), we prove a theorem showing that the scale (M I ) where the Pati-Salam gauge symmetry with parity breaks down to the standard gauge group, has vanishing corrections due to all sources emerging from higher scales (μ > M I ) such as the one-loop and all higher-loop effects, the GUT-threshold, gravitational smearing, and string threshold effects. Implications of such a scale for the unification of gauge couplings with small Majorana neutrino masses are discussed. In string inspired SO(10), we show that M I ≅ 5 x 10 12 GeV, needed for neutrino masses, with the GUT scale M U ≅ M str can be realized provided certain particle states in the predicted spectrum are light. (author). 28 refs, 1 tab

  16. Exploring the surface reactivity of 3d metal endofullerenes: a density-functional theory study.

    Science.gov (United States)

    Estrada-Salas, Rubén E; Valladares, Ariel A

    2009-09-24

    Changes in the preferential sites of electrophilic, nucleophilic, and radical attacks on the pristine C60 surface with endohedral doping using 3d transition metal atoms were studied via two useful reactivity indices, namely the Fukui functions and the molecular electrostatic potential. Both of these were calculated at the density functional BPW91 level of theory with the DNP basis set. Our results clearly show changes in the preferential reactivity sites on the fullerene surface when it is doped with Mn, Fe, Co, or Ni atoms, whereas there are no significant changes in the preferential reactivity sites on the C60 surface upon endohedral doping with Cu and Zn atoms. Electron affinities (EA), ionization potentials (IP), and HOMO-LUMO gaps (Eg) were also calculated to complete the study of the endofullerene's surface reactivity. These findings provide insight into endofullerene functionalization, an important issue in their application.

  17. CLUMPING AND THE INTERPRETATION OF kpc-SCALE MAPS OF THE INTERSTELLAR MEDIUM: SMOOTH H I AND CLUMPY, VARIABLE H{sub 2} SURFACE DENSITY

    Energy Technology Data Exchange (ETDEWEB)

    Leroy, Adam K. [National Radio Astronomy Observtory, 520 Edgemont Road, Charlottesville, VA 22903 (United States); Lee, Cheoljong [Department of Astronomy, University of Virginia, 530 McCormick Road, Charlottesville, VA 22904 (United States); Schruba, Andreas [California Institute for Technology, 1200 E California Blvd, Pasadena, CA 91125 (United States); Bolatto, Alberto [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Hughes, Annie; Sandstrom, Karin; Schinnerer, Eva; Walter, Fabian [Max Planck Institute fuer Astronomie, Koenigstuhl 17, D-69117 Heidelberg (Germany); Pety, Jerome [Institut de Radioastronomie Millimetrique, 300 Rue de la Piscine, F-38406 Saint Martin d' Heres (France)

    2013-05-20

    Many recent models consider the structure of individual interstellar medium (ISM) clouds as a way to explain observations of large parts of galaxies. To compare such models to observations, one must understand how to translate between surface densities observed averaging over large ({approx}kpc) scales and surface densities on the scale of individual clouds ({approx}pc scale), which are treated by models. We define a ''clumping factor'' that captures this translation as the ratio of the mass-weighted surface density, which is often the quantity of physical interest, to the area-weighted surface density, which is observed. We use high spatial resolution (sub-kpc) maps of CO and H I emission from nearby galaxies to measure the clumping factor of both atomic and molecular gas. The molecular and atomic ISM exhibit dramatically different degrees of clumping. As a result, the ratio H{sub 2}/H I measured at {approx}kpc resolution cannot be trivially interpreted as a cloud-scale ratio of surface densities. H I emission appears very smooth, with a clumping factor of only {approx}1.3. Based on the scarce and heterogeneous high-resolution data available, CO emission is far more clumped with a widely variable clumping factor, median {approx}7 for our heterogeneous data. Our measurements do not provide evidence for a universal mass-weighted surface density of molecular gas, but also cannot conclusively rule out such a scenario. We suggest that a more sophisticated treatment of molecular ISM structure, one informed by high spatial resolution CO maps, is needed to link cloud-scale models to kpc-scale observations of galaxies.

  18. Vanishing of the vacuum amplitude of heterotic string compactified on a tensor product of N=2 superconformal models

    International Nuclear Information System (INIS)

    Kei Ito.

    1988-07-01

    The vacuum amplitude of heterotic string compactified on a tensor product of nine copies of c=1, N=2 superconformal models is shown to vanish due to a generalized Riemann's theta identity associated with the 12x12 matrix identity t BB=6 2 I 12 , identity B ij =-5(i=j), 1(i≠j). (author). 4 refs

  19. Influence of packing density and surface roughness of vertically-aligned carbon nanotubes on adhesive properties of gecko-inspired mimetics.

    Science.gov (United States)

    Chen, Bingan; Zhong, Guofang; Oppenheimer, Pola Goldberg; Zhang, Can; Tornatzky, Hans; Esconjauregui, Santiago; Hofmann, Stephan; Robertson, John

    2015-02-18

    We have systematically studied the macroscopic adhesive properties of vertically aligned nanotube arrays with various packing density and roughness. Using a tensile setup in shear and normal adhesion, we find that there exists a maximum packing density for nanotube arrays to have adhesive properties. Too highly packed tubes do not offer intertube space for tube bending and side-wall contact to surfaces, thus exhibiting no adhesive properties. Likewise, we also show that the surface roughness of the arrays strongly influences the adhesion properties and the reusability of the tubes. Increasing the surface roughness of the array strengthens the adhesion in the normal direction, but weakens it in the shear direction. Altogether, these results allow progress toward mimicking the gecko's vertical mobility.

  20. Engineering the size and density of silicon agglomerates by controlling the initial surface carbonated contamination

    Energy Technology Data Exchange (ETDEWEB)

    Borowik, Ł., E-mail: Lukasz.Borowik@cea.fr [CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Chevalier, N.; Mariolle, D.; Martinez, E.; Bertin, F.; Chabli, A.; Barbé, J.-C. [CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France)

    2013-04-01

    Actually, thermally induced thin-films dewetting silicon in the silicon-on-insulator is a way to obtain silicon agglomerates with a size and a density fixed by the silicon film thickness. In this paper we report a new method to monitor both the size and the density of the Si agglomerates thanks to the deposition of a carbon-like layer. We show that using a 5-nm thick layer of silicon and additional ≤1-nm carbonated layer; we obtain agglomerates sizes ranging from 35 nm to 60 nm with respectively an agglomerate density ranging from 38 μm{sup −2} to 18 μm{sup −2}. Additionally, for the case of strained silicon films an alternative dewetting mechanism can be induced by monitoring the chemical composition of the sample surface.

  1. In situ evaluation of density, viscosity, and thickness of adsorbed soft layers by combined surface acoustic wave and surface plasmon resonance.

    Science.gov (United States)

    Francis, Laurent A; Friedt, Jean-Michel; Zhou, Cheng; Bertrand, Patrick

    2006-06-15

    We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity, and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold-coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is monitored simultaneously in a single setup for the real-time and label-free measurement of the parameters of adsorbed soft layers, which means for layers with a predominant viscous behavior. A general mathematical modeling in equivalent viscoelastic transmission lines is presented to determine the correlation between experimental SAW signal shifts and the waveguide structure including the presence of the adsorbed layer and the supporting liquid from which it segregates. A methodology is presented to identify from SAW and SPR simulations the parameters representatives of the soft layer. During the absorption of a soft layer, thickness or viscosity changes are observed in the experimental ratio of the SAW signal attenuation to the SAW signal phase and are correlated with the theoretical model. As application example, the simulation method is applied to study the thermal behavior of physisorbed PNIPAAm, a polymer whose conformation is sensitive to temperature, under a cycling variation of temperature between 20 and 40 degrees C. Under the assumption of the bulk density and the bulk refractive index of PNIPAAm, thickness and viscosity of the film are obtained from simulations; the viscosity is correlated to the solvent content of the physisorbed layer.

  2. Self-assembled monolayer structures of hexadecylamine on Cu surfaces: density-functional theory.

    Science.gov (United States)

    Liu, Shih-Hsien; Balankura, Tonnam; Fichthorn, Kristen A

    2016-12-07

    We used dispersion-corrected density-functional theory to probe possible structures for adsorbed layers of hexadecylamine (HDA) on Cu(100) and Cu(111). HDA forms self-assembled layers on these surfaces, analogous to alkanethiols on various metal surfaces, and it binds by donating electrons in the amine group to the Cu surface atoms, consistent with experiment. van der Waals interactions between the alkyl tails of HDA molecules are stronger than the interaction between the amine group and the Cu surfaces. Strong HDA-tail interactions lead to coverage-dependent tilting of the HDA layers, such that the tilt angle is larger for lower coverages. At full monolayer coverage, the energetically preferred binding configuration for HDA on Cu(100) is a (5 × 3) pattern - although we cannot rule out incommensurate structures - while the pattern is preferred on Cu(111). A major motivation for this study is to understand the experimentally observed capability of HDA as a capping agent for producing {100}-faceted Cu nanocrystals. Consistent with experiment, we find that HDA binds more strongly to Cu(100) than to Cu(111). This strong binding stems from the capability of HDA to form more densely packed layers on Cu(100), which leads to stronger HDA-tail interactions, as well as the stronger binding of the amine group to Cu(100). We estimate the surface energies of HDA-covered Cu(100) and Cu(111) surfaces and find that these surfaces are nearly isoenergetic. By drawing analogies to previous theoretical work, it seems likely that HDA-covered Cu nanocrystals could have kinetic shapes that primarily express {100} facets, as is seen experimentally.

  3. Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene

    International Nuclear Information System (INIS)

    Lara-Castells, María Pilar de; Mitrushchenkov, Alexander O.; Stoll, Hermann

    2015-01-01

    A combined density functional (DFT) and incremental post-Hartree-Fock (post-HF) approach, proven earlier to calculate He-surface potential energy surfaces [de Lara-Castells et al., J. Chem. Phys. 141, 151102 (2014)], is applied to describe the van der Waals dominated Ag 2 /graphene interaction. It extends the dispersionless density functional theory developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] by including periodic boundary conditions while the dispersion is parametrized via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. Starting with the elementary cluster unit of the target surface (benzene), continuing through the realistic cluster model (coronene), and ending with the periodic model of the extended system, modern ab initio methodologies for intermolecular interactions as well as state-of-the-art van der Waals-corrected density functional-based approaches are put together both to assess the accuracy of the composite scheme and to better characterize the Ag 2 /graphene interaction. The present work illustrates how the combination of DFT and post-HF perspectives may be efficient to design simple and reliable ab initio-based schemes in extended systems for surface science applications

  4. Do measures matter? Comparing surface-density-derived and census-tract-derived measures of racial residential segregation

    Directory of Open Access Journals (Sweden)

    Waller Lance A

    2010-06-01

    Full Text Available Abstract Background Racial residential segregation is hypothesized to affect population health by systematically patterning health-relevant exposures and opportunities according to individuals' race or income. Growing interest into the association between residential segregation and health disparities demands more rigorous appraisal of commonly used measures of segregation. Most current studies rely on census tracts as approximations of the local residential environment when calculating segregation indices of either neighborhoods or metropolitan areas. Because census tracts are arbitrary in size and shape, reliance on this geographic scale limits understanding of place-health associations. More flexible, explicitly spatial derivations of traditional segregation indices have been proposed but have not been compared with tract-derived measures in the context of health disparities studies common to social epidemiology, health demography, or medical geography. We compared segregation measured with tract-derived as well as GIS surface-density-derived indices. Measures were compared by region and population size, and segregation measures were linked to birth record to estimate the difference in association between segregation and very preterm birth. Separate analyses focus on metropolitan segregation and on neighborhood segregation. Results Across 231 metropolitan areas, tract-derived and surface-density-derived segregation measures are highly correlated. However overall correlation obscures important differences by region and metropolitan size. In general the discrepancy between measure types is greatest for small metropolitan areas, declining with increasing population size. Discrepancies in measures are greatest in the South, and smallest in Western metropolitan areas. Choice of segregation index changed the magnitude of the measured association between segregation and very preterm birth. For example among black women, the risk ratio for very

  5. Verification of surface contamination density standard using clearance automatic laser inspection system for objects from a nuclear power plant

    International Nuclear Information System (INIS)

    Sasaki, Michiya; Ogino, Haruyuki; Ichiji, Takeshi; Hattori, Takatoshi

    2008-01-01

    In the clearance level inspection in Japan, it is necessary to indicate that the activity level of the target object must be less than not only the clearance levels, but also the surface contamination density standards. The classification measurements for these two standards have been performed separately, and the GM survey meters based on beta-ray measurement have mainly been used for surface contamination density measurement so far. Recently the Clearance Automatic Laser Inspection System, named CLALIS, has been developed to estimate the low-level activity concentration. This system consists of 3-dimensional laser scanner for shape measurement and eight large NE102A plastic scintillation detectors for gamma-ray measurement, and it has been clarified that the CLALIS has adequate detection ability for clearance measurement of both metal scraps and concrete debris. In this study, we compared the surface contamination densities for a number of actual contaminated and non-contaminated objects generated inside from the radiation controlled area at the Kashiwazaki-Kariwa nuclear power station by using the CLALIS and the GM survey meter. As a result, since CLALIS could detect the surface contamination as well as the GM survey meter for all measurement targets, it was revealed that CLALIS can rationally achieve clearance level inspection in a single radiation measurement. The practicality of CLALIS in view of the detection limit and processing time was discussed by comparison with the usual radiation monitors for surface contamination measurement. (author)

  6. The Vanished Child: An inquiry into figures and their modes of appearance

    Directory of Open Access Journals (Sweden)

    Bertrand Gervais

    2010-12-01

    Full Text Available Sophie Calle's texts are elaborate devices that facilitate the production of figures, of complex symbolic entities. In fact, her work enables us to better understand how figures emerge and unfold in the imaginary. Thus, we find in her Disparitions (Disappearances, a startling figure, which we can name the "Vanished Child". I will present this figure and explain how it stems from the description of a painting by Rembrandt, stolen at the Gardner Museum in Boston. I will start by identifying some of the essential processes implied in the identification of a figure, and, to do so, I will give two short examples, drawn from Witold Gombrowicz and Don DeLillo. Then, after having described in details the figure of the Vanished Child, I will argue, following the French art historian Georges Didi-Huberman in his reading of Walter Benjamin, that figures are auratic objects. Dans ses textes, Sophie Calle emploie des techniques détaillées qui facilitent la production de figures, d'entités symboliques complexes. Son œuvre nous permet effectivement de mieux comprendre comment les figures émergent et se déploient dans l'imaginaire. Ainsi, nous trouvons dans ses Disparitions (Disappearances une figure surprenante que nous pouvons désigner comme « l'enfant disparu ». Je présenterai cette figure en expliquant comment elle découle de la description d'un tableau de Rembrandt volé au musée Gardner à Boston. J'identifierai d'abord quelques-uns des procédés essentiels à l'identification d'une figure, et pour ce faire je donnerai deux exemples, tirés des œuvres de Witold Gombrowicz et Don DeLillo. Puis je décrirai de façon détaillée la figure de l'enfant disparu, avant de démontrer le caractère auratique des figures à partir de la lecture de Walter Benjamin qu'exécute l'historien de l'art français Georges Didi-Huberman.

  7. Multiloop amplitudes and vanishing theorems using the pure spinor formalism for the superstring

    International Nuclear Information System (INIS)

    Berkovits, Nathan

    2004-01-01

    A ten-dimensional super-Poincare covariant formalism for the superstring was recently developed which involves a BRST operator constructed from superspace matter variables and a pure spinor ghost variable. A super-Poincare covariant prescription was defined for computing tree amplitudes and was shown to coincide with the standard RNS prescription. In this paper, picture-changing operators are used to define functional integration over the pure spinor ghosts and to construct a suitable b ghost. A super-Poincare covariant prescription is then given for the computation of N-point multiloop amplitudes. One can easily prove that massless N-point multiloop amplitudes vanish for N 4 terms in the effective action receive no perturbative contributions above one loop. (author)

  8. Zinc surface complexes on birnessite: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Kideok D.; Refson, Keith; Sposito, Garrison

    2009-01-05

    Biogeochemical cycling of zinc is strongly influenced by sorption on birnessite minerals (layer-type MnO2), which are found in diverse terrestrial and aquatic environments. Zinc has been observed to form both tetrahedral (Zn{sup IV}) and octahedral (Zn{sup VI}) triple-corner-sharing surface complexes (TCS) at Mn(IV) vacancy sites in hexagonal birnessite. The octahedral complex is expected to be similar to that of Zn in the Mn oxide mineral, chalcophanite (ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O), but the reason for the occurrence of the four-coordinate Zn surface species remains unclear. We address this issue computationally using spin-polarized Density Functional Theory (DFT) to examine the Zn{sub IV}-TCS and Zn{sup VI}-TCS species. Structural parameters obtained by DFT geometry optimization were in excellent agreement with available experimental data on Zn-birnessites. Total energy, magnetic moments, and electron-overlap populations obtained by DFT for isolated Zn{sup IV}-TCS revealed that this species is stable in birnessite without a need for Mn(III) substitution in the octahedral sheet and that it is more effective in reducing undersaturation of surface O at a Mn vacancy than is Zn{sub VI}-TCS. Comparison between geometry-optimized ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O (chalcophanite) and the hypothetical monohydrate mineral, ZnMn{sub 3}O{sub 7} {center_dot} H{sub 2}O, which contains only tetrahedral Zn, showed that the hydration state of Zn significantly affects birnessite structural stability. Finally, our study also revealed that, relative to their positions in an ideal vacancy-free MnO{sub 2}, Mn nearest to Zn in a TCS surface complex move toward the vacancy by 0.08-0.11 {angstrom}, while surface O bordering the vacancy move away from it by 0.16-0.21 {angstrom}, in agreement with recent X-ray absorption spectroscopic analyses.

  9. Fluorescence properties of dansyl groups covalently bonded to the surface of oxidatively functionalized low-density polyethylene film

    Science.gov (United States)

    Holmes-Farley, S. R.; Whitesides, G. M.

    1985-12-01

    Brief oxidation of low-density polyethylene film with chromic acid in aqueous sulfuric acid introduced carboxylic acid and ketone and/or aldehyde groups onto the surface of the film. The carboxylic acid moieties can be used to attach more complex functionality to the polymer surface. We are developing this surface-functionalized polyethylene (named polyethylene carboxylic acid, PE-CO2H, to emphasize the functional group that dominates its surface properties) as a substrate with which to study problems in organic surface chemistry--especially wetting, polymer surface reconstruction, and adhesion--using physical-organic techniques. This document describes the preparation, characterization, and fluorescence properties of derivatives of PE-CO2H in which the Dansyl (5-dimethylaminonaphthalene-1-sulfonyl) group has been covalently attached by amide links to the surface carbonyl moieties.

  10. Local density approach to surfaces and adsorbed layers

    International Nuclear Information System (INIS)

    Wimmer, E.; Freeman, A.J.; Weinert, M.

    1986-01-01

    The authors show that the local density problem for the thin film geometry can be solved with high accuracy by employing the all-electron full-potential linearized augmented-plane-wave method. This is achieved by removing all shape approximations in the charge density and the potential and by using a highly flexible variational basis set. Also demonstrated is the fact that for a graphite monolayer, local density total energies give excellent descriptions of equilibrium geometries and discuss the overestimation of local-density cohesive energies due to an incomplete treatment of correlation effects in the free atom

  11. Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

    Science.gov (United States)

    Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

    2018-05-01

    Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

  12. Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

    International Nuclear Information System (INIS)

    Arora, Swati; Singh, Vinamrita; Arora, Manoj; Pal Tandon, Ram

    2012-01-01

    Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10 12 -10 13 cm -2 eV -1 , which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

  13. Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Arora, Swati, E-mail: drswatia@yahoo.com [Department of Physics, Zakir Husain College, University of Delhi, Delhi 110002 (India); Singh, Vinamrita [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Arora, Manoj [Department of Physics, Ramjas College, University of Delhi, Delhi 110007 (India); Pal Tandon, Ram [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

    2012-08-01

    Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10{sup 12}-10{sup 13} cm{sup -2} eV{sup -1}, which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

  14. Symmetry breaking, and the effect of matter density on neutrino oscillation

    Science.gov (United States)

    Mohseni Sadjadi, H.; Khosravi Karchi, A. P.

    2018-04-01

    A proposal for the neutrino mass, based on neutrino-scalar field interaction, is introduced. The scalar field is also non-minimally coupled to the Ricci scalar, and hence relates the neutrino mass to the matter density. In a dense region, the scalar field obeys the Z2 symmetry, and the neutrino is massless. In a dilute region, the Z2 symmetry breaks and neutrino acquires mass from the non-vanishing expectation value of the scalar field. We consider this scenario in the framework of a spherical dense object whose outside is a dilute region. In this background, we study the neutrino flavors oscillation, along with the consequences of the theory on oscillation length and MSW effect. This preliminary model may shed some lights on the existing anomalies within the neutrino data, concerning the different oscillating behavior of the neutrinos in regions with different densities.

  15. Wavelet-based multiscale adjoint waveform-difference tomography using body and surface waves

    Science.gov (United States)

    Yuan, Y. O.; Simons, F. J.; Bozdag, E.

    2014-12-01

    We present a multi-scale scheme for full elastic waveform-difference inversion. Using a wavelet transform proves to be a key factor to mitigate cycle-skipping effects. We start with coarse representations of the seismogram to correct a large-scale background model, and subsequently explain the residuals in the fine scales of the seismogram to map the heterogeneities with great complexity. We have previously applied the multi-scale approach successfully to body waves generated in a standard model from the exploration industry: a modified two-dimensional elastic Marmousi model. With this model we explored the optimal choice of wavelet family, number of vanishing moments and decomposition depth. For this presentation we explore the sensitivity of surface waves in waveform-difference tomography. The incorporation of surface waves is rife with cycle-skipping problems compared to the inversions considering body waves only. We implemented an envelope-based objective function probed via a multi-scale wavelet analysis to measure the distance between predicted and target surface-wave waveforms in a synthetic model of heterogeneous near-surface structure. Our proposed method successfully purges the local minima present in the waveform-difference misfit surface. An elastic shallow model with 100~m in depth is used to test the surface-wave inversion scheme. We also analyzed the sensitivities of surface waves and body waves in full waveform inversions, as well as the effects of incorrect density information on elastic parameter inversions. Based on those numerical experiments, we ultimately formalized a flexible scheme to consider both body and surface waves in adjoint tomography. While our early examples are constructed from exploration-style settings, our procedure will be very valuable for the study of global network data.

  16. High density nitrogen-vacancy sensing surface created via He{sup +} ion implantation of {sup 12}C diamond

    Energy Technology Data Exchange (ETDEWEB)

    Kleinsasser, Ed E., E-mail: edklein@uw.edu [Department of Electrical Engineering, University of Washington, Seattle, Washington 98195-2500 (United States); Stanfield, Matthew M.; Banks, Jannel K. Q. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States); Zhu, Zhouyang; Li, Wen-Di [HKU-Shenzhen Institute of Research and Innovation (HKU-SIRI), Shenzhen 518000 (China); Department of Mechanical Engineering, The University of Hong Kong, Pokfulam, Hong Kong (China); Acosta, Victor M. [Department of Physics and Astronomy, Center for High Technology Materials, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Watanabe, Hideyuki [Correlated Electronics Group, Electronics and Photonics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba Central 5, 1-1-1, Higashi, Tsukuba, Ibaraki 305-8565 (Japan); Itoh, Kohei M. [School of Fundamental Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); Fu, Kai-Mei C., E-mail: kaimeifu@uw.edu [Department of Electrical Engineering, University of Washington, Seattle, Washington 98195-2500 (United States); Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States)

    2016-05-16

    We present a promising method for creating high-density ensembles of nitrogen-vacancy centers with narrow spin-resonances for high-sensitivity magnetic imaging. Practically, narrow spin-resonance linewidths substantially reduce the optical and RF power requirements for ensemble-based sensing. The method combines isotope purified diamond growth, in situ nitrogen doping, and helium ion implantation to realize a 100 nm-thick sensing surface. The obtained 10{sup 17 }cm{sup −3} nitrogen-vacancy density is only a factor of 10 less than the highest densities reported to date, with an observed 200 kHz spin resonance linewidth over 10 times narrower.

  17. Dispersal, density dependence, and population dynamics of a fungal microbe on leaf surfaces.

    Science.gov (United States)

    Woody, Scott T; Ives, Anthony R; Nordheim, Erik V; Andrews, John H

    2007-06-01

    Despite the ubiquity and importance of microbes in nature, little is known about their natural population dynamics, especially for those that occupy terrestrial habitats. Here we investigate the dynamics of the yeast-like fungus Aureobasidium pullulans (Ap) on apple leaves in an orchard. We asked three questions. (1) Is variation in fungal population density among leaves caused by variation in leaf carrying capacities and strong density-dependent population growth that maintains densities near carrying capacity? (2) Do resident populations have competitive advantages over immigrant cells? (3) Do Ap dynamics differ at different times during the growing season? To address these questions, we performed two experiments at different times in the growing season. Both experiments used a 2 x 2 factorial design: treatment 1 removed fungal cells from leaves to reveal density-dependent population growth, and treatment 2 inoculated leaves with an Ap strain engineered to express green fluorescent protein (GFP), which made it possible to track the fate of immigrant cells. The experiments showed that natural populations of Ap vary greatly in density due to sustained differences in carrying capacities among leaves. The maintenance of populations close to carrying capacities indicates strong density-dependent processes. Furthermore, resident populations are strongly competitive against immigrants, while immigrants have little impact on residents. Finally, statistical models showed high population growth rates of resident cells in one experiment but not in the other, suggesting that Ap experiences relatively "good" and "bad" periods for population growth. This picture of Ap dynamics conforms to commonly held, but rarely demonstrated, expectations of microbe dynamics in nature. It also highlights the importance of local processes, as opposed to immigration, in determining the abundance and dynamics of microbes on surfaces in terrestrial systems.

  18. Motor unit properties of biceps brachii in chronic stroke patients assessed with high-density surface EMG

    NARCIS (Netherlands)

    Kallenberg, L.A.C.; Hermens, Hermanus J.

    2009-01-01

    The aim of this study was to investigate motor unit (MU) characteristics of the biceps brachii in post-stroke patients, using high-density surface electromyography (sEMG). Eighteen chronic hemiparetic stroke patients took part. The Fugl-Meyer score for the upper extremity was assessed. Subjects

  19. Phase-Space Density Analyses of the AE-8 Trapped Electron and the AP-8 Trapped Proton Model Environments

    Energy Technology Data Exchange (ETDEWEB)

    T.E. Cayton

    2005-08-12

    The AE-8 trapped electron and the AP-8 trapped proton models are used to examine the L-shell variation of phase-space densities for sets of transverse (or 1st) invariants, {mu}, and geometrical invariants, K (related to the first two adiabatic invariants). The motivation for this study is twofold: first, to discover the functional dependence of the phase-space density upon the invariants; and, second, to explore the global structure of the radiation belts within this context. Variation due to particle rest mass is considered as well. The overall goal of this work is to provide a framework for analyzing energetic particle data collected by instruments on Global Positioning System (GPS) spacecraft that fly through the most intense region of the radiation belt. For all considered values of {mu} and K, and for 3.5 R{sub E} < L < 6.5 R{sub E}, the AE-8 electron phase-space density increases with increasing L; this trend--the expected one for a population diffusing inward from an external source--continues to L = 7.5 R{sub E} for both small and large values of K but reverses slightly for intermediate values of K. The AP-8 proton phase-space density exhibits {mu}-dependent local minima around L = 5 R{sub E}. Both AE-8 and AP-8 exhibit critical or cutoff values for the invariants beyond which the flux and therefore the phase-space density vanish. For both electrons and protons, these cutoff values vary systematically with magnetic moment and L-shell and are smaller than those estimated for the atmospheric loss cone. For large magnetic moments, for both electrons and protons, the K-dependence of the phase-space density is exponential, with maxima at the magnetic equator (K = 0) and vanishing beyond a cutoff value, K{sub c}. Such features suggest that momentum-dependent trapping boundaries, perhaps drift-type loss cones, serve as boundary conditions for trapped electrons as well as trapped protons.

  20. Phase-Space Density Analysis of the AE-8 Traped Electron and the AP-8 Trapped Proton Model Environments

    Energy Technology Data Exchange (ETDEWEB)

    Thomas E. Cayton

    2005-08-01

    The AE-8 trapped electron and the AP-8 trapped proton models are used to examine the L-shell variation of phase-space densities for sets of transverse (or 1st) invariants, {mu}, and geometrical invariants, K (related to the first two adiabatic invariants). The motivation for this study is twofold: first, to discover the functional dependence of the phase-space density upon the invariants; and, second, to explore the global structure of the radiation belts within this context. Variation due to particle rest mass is considered as well. The overall goal of this work is to provide a framework for analyzing energetic particle data collected by instruments on Global Positioning System (GPS) spacecraft that fly through the most intense region of the radiation belt. For all considered values of {mu} and K, and for 3.5 R{sub E} < L < 6.5 R{sub E}, the AE-8 electron phase-space density increases with increasing L; this trend--the expected one for a population diffusing inward from an external source--continues to L = 7.5 R{sub E} for both small and large values of K but reverses slightly for intermediate values of K. The AP-8 proton phase-space density exhibits {mu}-dependent local minima around L = 5 R{sub E}. Both AE-8 and AP-8 exhibit critical or cutoff values for the invariants beyond which the flux and therefore the phase-space density vanish. For both electrons and protons, these cutoff values vary systematically with magnetic moment and L-shell and are smaller than those estimated for the atmospheric loss cone. For large magnetic moments, for both electrons and protons, the K-dependence of the phase-space density is exponential, with maxima at the magnetic equator (K = 0) and vanishing beyond a cutoff value, K{sub c}. Such features suggest that momentum-dependent trapping boundaries, perhaps drift-type loss cones, serve as boundary conditions for trapped electrons as well as trapped protons.

  1. Phase-Space Density Analyses of the AE-8 Trapped Electron and the AP-8 Trapped Proton Model Environments

    International Nuclear Information System (INIS)

    Cayton, Thomas E.

    2005-01-01

    The AE-8 trapped electron and the AP-8 trapped proton models are used to examine the L-shell variation of phase-space densities for sets of transverse (or 1st) invariants, μ, and geometrical invariants, K (related to the first two adiabatic invariants). The motivation for this study is twofold: first, to discover the functional dependence of the phase-space density upon the invariants; and, second, to explore the global structure of the radiation belts within this context. Variation due to particle rest mass is considered as well. The overall goal of this work is to provide a framework for analyzing energetic particle data collected by instruments on Global Positioning System (GPS) spacecraft that fly through the most intense region of the radiation belt. For all considered values of μ and K, and for 3.5 R E E , the AE-8 electron phase-space density increases with increasing L; this trend--the expected one for a population diffusing inward from an external source--continues to L = 7.5 R E for both small and large values of K but reverses slightly for intermediate values of K. The AP-8 proton phase-space density exhibits μ-dependent local minima around L = 5 R E . Both AE-8 and AP-8 exhibit critical or cutoff values for the invariants beyond which the flux and therefore the phase-space density vanish. For both electrons and protons, these cutoff values vary systematically with magnetic moment and L-shell and are smaller than those estimated for the atmospheric loss cone. For large magnetic moments, for both electrons and protons, the K-dependence of the phase-space density is exponential, with maxima at the magnetic equator (K = 0) and vanishing beyond a cutoff value, K c . Such features suggest that momentum-dependent trapping boundaries, perhaps drift-type loss cones, serve as boundary conditions for trapped electrons as well as trapped protons

  2. GAMA/H-ATLAS: THE DUST OPACITY-STELLAR MASS SURFACE DENSITY RELATION FOR SPIRAL GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Grootes, M. W.; Tuffs, R. J.; Andrae, E. [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany); Popescu, C. C.; Pastrav, B. [Jeremiah Horrocks Institute, University of Central Lancashire, Preston PR1 2HE (United Kingdom); Gunawardhana, M.; Taylor, E. N. [Sydney Institute for Astronomy, School of Physics, University of Sydney, NSW 206 (Australia); Kelvin, L. S.; Driver, S. P. [Scottish Universities' Physics Alliance (SUPA), School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom); Liske, J. [European Southern Observatory, Karl-Schwarzschild Str. 2, D-85748 Garching (Germany); Seibert, M. [Observatories of the Carnegie Institution for Science, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Graham, Alister W. [Centre for Astrophysics and Supercomputing, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia); Baes, M. [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Baldry, I. K. [Astrophysics Research Institute, Liverpool John Moores University, Twelve Quays House, Egerton Wharf, Birkenhead CH41 1LD (United Kingdom); Bourne, N. [Centre for Astronomy and Particle Theory, The School of Physics and Astronomy, Nottingham University, University Park Campus, Nottingham NG7 2RD (United Kingdom); Brough, S. [Australian Astronomical Observatory, P.O. Box 296, Epping, NSW 1710 (Australia); Cooray, A. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Dariush, A. [Physics Department, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); De Zotti, G. [INAF-Osservatorio Astronomico di Padova, Vicolo Osservatorio 5, I-35122 Padova (Italy); Dunne, L., E-mail: meiert.grootes@mpi-hd.mpg.de [Department of Physics and Astronomy, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); and others

    2013-03-20

    We report the discovery of a well-defined correlation between B-band face-on central optical depth due to dust, {tau}{sup f}{sub B}, and the stellar mass surface density, {mu}{sub *}, of nearby (z {<=} 0.13) spiral galaxies. This relation was derived from a sample of spiral galaxies taken from the Galaxy and Mass Assembly (GAMA) survey, which were detected in the FIR/submillimeter (submm) in the Herschel-ATLAS science demonstration phase field. Using a quantitative analysis of the NUV attenuation-inclination relation for complete samples of GAMA spirals categorized according to stellar mass surface density, we demonstrate that this correlation can be used to statistically correct for dust attenuation purely on the basis of optical photometry and Sersic-profile morphological fits. Considered together with previously established empirical relationships of stellar mass to metallicity and gas mass, the near linearity and high constant of proportionality of the {tau}{sub B}{sup f} - {mu}{sub *} relation disfavors a stellar origin for the bulk of refractory grains in spiral galaxies, instead being consistent with the existence of a ubiquitous and very rapid mechanism for the growth of dust in the interstellar medium. We use the {tau}{sub B}{sup f} - {mu}{sub *} relation in conjunction with the radiation transfer model for spiral galaxies of Popescu and Tuffs to derive intrinsic scaling relations between specific star formation rate (SFR), stellar mass, and stellar surface density, in which attenuation of the UV light used for the measurement of SFR is corrected on an object-to-object basis. A marked reduction in scatter in these relations is achieved which we demonstrate is due to correction of both the inclination-dependent and face-on components of attenuation. Our results are consistent with a general picture of spiral galaxies in which most of the submm emission originates from grains residing in translucent structures, exposed to UV in the diffuse interstellar

  3. Influence of the electron density on the characteristics of terahertz waves generated under laser–cluster interaction

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, A. A., E-mail: frolov@ihed.ras.ru [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2016-12-15

    A theory of generation of terahertz radiation under laser–cluster interaction, developed earlier for an overdense cluster plasma [A. A. Frolov, Plasma Phys. Rep. 42. 637 (2016)], is generalized for the case of arbitrary electron density. The spectral composition of radiation is shown to substantially depend on the density of free electrons in the cluster. For an underdense cluster plasma, there is a sharp peak in the terahertz spectrum at the frequency of the quadrupole mode of a plasma sphere. As the electron density increases to supercritical values, this spectral line vanishes and a broad maximum at the frequency comparable with the reciprocal of the laser pulse duration appears in the spectrum. The dependence of the total energy of terahertz radiation on the density of free electrons is analyzed. The radiation yield is shown to increase significantly under resonance conditions, when the laser frequency is close to the eigenfrequency of the dipole or quadrupole mode of a plasma sphere.

  4. A comparison of automatic and intentional instructions when using the method of vanishing cues in acquired brain injury.

    Science.gov (United States)

    Riley, Gerard A; Venn, Paul

    2015-01-01

    Thirty-four participants with acquired brain injury learned word lists under two forms of vanishing cues - one in which the learning trial instructions encouraged intentional retrieval (i.e., explicit memory) and one in which they encouraged automatic retrieval (which encompasses implicit memory). The automatic instructions represented a novel approach in which the cooperation of participants was actively sought to avoid intentional retrieval. Intentional instructions resulted in fewer errors during the learning trials and better performance on immediate and delayed retrieval tests. The advantage of intentional over automatic instructions was generally less for those who had more severe memory and/or executive impairments. Most participants performed better under intentional instructions on both the immediate and the delayed tests. Although those who were more severely impaired in both memory and executive function also did better with intentional instructions on the immediate retrieval test, they were significantly more likely to show an advantage for automatic instructions on the delayed test. It is suggested that this pattern of results may reflect impairments in the consolidation of intentional memories in this group. When using vanishing cues, automatic instructions may be better for those with severe consolidation impairments, but otherwise intentional instructions may be better.

  5. Excitation of high density surface plasmon polariton vortex array

    Science.gov (United States)

    Kuo, Chun-Fu; Chu, Shu-Chun

    2018-06-01

    This study proposes a method to excite surface plasmon polariton (SPP) vortex array of high spatial density on metal/air interface. A doughnut vector beam was incident at four rectangularly arranged slits to excite SPP vortex array. The doughnut vector beam used in this study has the same field intensity distribution as the regular doughnut laser mode, TEM01* mode, but a different polarization distribution. The SPP vortex array is achieved through the matching of both polarization state and phase state of the incident doughnut vector beam with the four slits. The SPP field distribution excited in this study contains stable array-distributed time-varying optical vortices. Theoretical derivation, analytical calculation and numerical simulation were used to discuss the characteristics of the induced SPP vortex array. The period of the SPP vortex array induced by the proposed method had only half SPPs wavelength. In addition, the vortex number in an excited SPP vortex array can be increased by enlarging the structure.

  6. Breakdown of quasiparticle picture in the low-density limit of the 1D Hubbard model

    International Nuclear Information System (INIS)

    Qin Shaojin; Qian Tiezheng; Su Zhaobin

    1995-03-01

    Using the finite-size scaling of results obtained by exact diagonalization, we study the low-density limit of the one-dimensional Hubbard model. Calculating the quasiparticle weight, we demonstrate that for a given particle number N and system size L, there always exists a crossover point U c separating the Fermi-liquid (U c ) and non-Fermi-liquid (U > U c ) regimes (U is the Hubbard repulsion). We find that for a fixed N, U c is inversely proportional to L, keeping U c L/t constant (with t as the hopping integral), as L is large enough. It follows that in the low-density (in fact vanishing density) limit L → ∞, U c → 0, so the system is always in non-Fermi-liquid regime as long as U > 0. We show that our numerical results are consistent with the Bethe ansatz solution. (author). 11 refs, 3 figs

  7. Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model

    Science.gov (United States)

    Salazar-Camacho, Carlos; Villalobos, Mario

    2010-04-01

    We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in

  8. Versatile Density Functionals for Computational Surface Science

    DEFF Research Database (Denmark)

    Wellendorff, Jess

    Density functional theory (DFT) emerged almost 50 years ago. Since then DFT has established itself as the central electronic structure methodology for simulating atomicscale systems from a few atoms to a few hundred atoms. This success of DFT is due to a very favorable accuracy-to-computational c......Density functional theory (DFT) emerged almost 50 years ago. Since then DFT has established itself as the central electronic structure methodology for simulating atomicscale systems from a few atoms to a few hundred atoms. This success of DFT is due to a very favorable accuracy...... resampling techniques, thereby systematically avoiding problems with overfitting. The first ever density functional presenting both reliable accuracy and convincing error estimation is generated. The methodology is general enough to be applied to more complex functional forms with higher-dimensional fitting...

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

    OpenAIRE

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

    2014-01-01

    Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol ...

  10. A new method for extracting near-surface mass-density anomalies from land-based gravity data, based on a special case of Poisson's PDE at the Earth's surface: A case study of salt diapirs in the south of Iran

    Science.gov (United States)

    AllahTavakoli, Y.; Safari, A.; Ardalan, A.; Bahroudi, A.

    2015-12-01

    The current research provides a method for tracking near-surface mass-density anomalies via using only land-based gravity data, which is based on a special version of Poisson's Partial Differential Equation (PDE) of the gravitational field at Earth's surface. The research demonstrates how the Poisson's PDE can provide us with a capability to extract the near-surface mass-density anomalies from land-based gravity data. Herein, this version of the Poisson's PDE is mathematically introduced to the Earth's surface and then it is used to develop the new method for approximating the mass-density via derivatives of the Earth's gravitational field (i.e. via the gradient tensor). Herein, the author believes that the PDE can give us new knowledge about the behavior of the Earth's gravitational field at the Earth's surface which can be so useful for developing new methods of Earth's mass-density determination. In a case study, the proposed method is applied to a set of gravity stations located in the south of Iran. The results were numerically validated via certain knowledge about the geological structures in the area of the case study. Also, the method was compared with two standard methods of mass-density determination. All the numerical experiments show that the proposed approach is well-suited for tracking near-surface mass-density anomalies via using only the gravity data. Finally, the approach is also applied to some petroleum exploration studies of salt diapirs in the south of Iran.

  11. Surface flux density distribution characteristics of bulk high-T{sub c} superconductor in external magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Torii, S.; Yuasa, K

    2004-10-01

    Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents.

  12. Surface of Maximums of AR(2 Process Spectral Densities and its Application in Time Series Statistics

    Directory of Open Access Journals (Sweden)

    Alexander V. Ivanov

    2017-09-01

    Conclusions. The obtained formula of surface of maximums of noise spectral densities gives an opportunity to realize for which values of AR(2 process characteristic polynomial coefficients it is possible to look for greater rate of convergence to zero of the probabilities of large deviations of the considered estimates.

  13. Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

    Science.gov (United States)

    Tachikawa, Hiroto

    2017-02-01

    Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4-37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2-7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8-28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

  14. Density functional study of a typical thiol tethered on a gold surface: ruptures under normal or parallel stretch

    International Nuclear Information System (INIS)

    Wang, Guan M; Sandberg, William C; Kenny, Steven D

    2006-01-01

    The mechanical and dynamical properties of a model Au(111)/thiol surface system were investigated by using localized atomic-type orbital density functional theory in the local density approximation. Relaxing the system gives a configuration where the sulfur atom forms covalent bonds to two adjacent gold atoms as the lowest energy structure. Investigations based on ab initio molecular dynamics simulations at 300, 350 and 370 K show that this tethering system is stable. The rupture behaviour between the thiol and the surface was studied by displacing the free end of the thiol. Calculated energy profiles show a process of multiple successive ruptures that account for experimental observations. The process features successive ruptures of the two Au-S bonds followed by the extraction of one S-bonded Au atom from the surface. The force required to rupture the thiol from the surface was found to be dependent on the direction in which the thiol was displaced, with values comparable with AFM measurements. These results aid the understanding of failure dynamics of Au(111)-thiol-tethered biosurfaces in microfluidic devices where fluidic shear and normal forces are of concern

  15. Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag{sub 2}/graphene

    Energy Technology Data Exchange (ETDEWEB)

    Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es [Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain); Mitrushchenkov, Alexander O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Stoll, Hermann [Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany)

    2015-09-14

    A combined density functional (DFT) and incremental post-Hartree-Fock (post-HF) approach, proven earlier to calculate He-surface potential energy surfaces [de Lara-Castells et al., J. Chem. Phys. 141, 151102 (2014)], is applied to describe the van der Waals dominated Ag{sub 2}/graphene interaction. It extends the dispersionless density functional theory developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] by including periodic boundary conditions while the dispersion is parametrized via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. Starting with the elementary cluster unit of the target surface (benzene), continuing through the realistic cluster model (coronene), and ending with the periodic model of the extended system, modern ab initio methodologies for intermolecular interactions as well as state-of-the-art van der Waals-corrected density functional-based approaches are put together both to assess the accuracy of the composite scheme and to better characterize the Ag{sub 2}/graphene interaction. The present work illustrates how the combination of DFT and post-HF perspectives may be efficient to design simple and reliable ab initio-based schemes in extended systems for surface science applications.

  16. 1H NMR studies in the regime of the field-induced spin-density wave phases of (TMTSF)2PF6

    International Nuclear Information System (INIS)

    Brown, S.E.; Pieper, M.; Clark, W.G.; Chow, D.S.; Alavi, B.

    1999-01-01

    We report 1 H proton spin-lattice relaxation measurements T 1 -1 on pressurized (TMTSF) 2 PF 6 in high magnetic fields. Maxima in T 1 -1 identify the phase transition to the field-induced spin-density wave (FISDW) state. Fluctuation effects are evident at temperatures above the transition, and vanish continuously in strength as the field is lowered to the critical field B c for the onset of the FISDW cascade. (orig.)

  17. On the interfacial thermodynamics of nanoscale droplets and bubbles

    Science.gov (United States)

    Corti, David S.; Kerr, Karl J.; Torabi, Korosh

    2011-07-01

    We present a new self-consistent thermodynamic formalism for the interfacial properties of nanoscale embryos whose interiors do not exhibit bulklike behavior and are in complete equilibrium with the surrounding mother phase. In contrast to the standard Gibbsian analysis, whereby a bulk reference pressure based on the same temperature and chemical potentials of the mother phase is introduced, our approach naturally incorporates the normal pressure at the center of the embryo as an appropriate reference pressure. While the interfacial properties of small embryos that follow from the use of these two reference pressures are different, both methods yield by construction the same reversible work of embryo formation as well as consistency between their respective thermodynamic and mechanical routes to the surface tension. Hence, there is no a priori reason to select one method over another. Nevertheless, we argue, and demonstrate via a density-functional theory (with the local density approximation) analysis of embryo formation in the pure component Lennard-Jones fluid, that our new method generates more physically appealing trends. For example, within the new approach the surface tension at all locations of the dividing surface vanishes at the spinodal where the density profile spanning the embryo and mother phase becomes completely uniform (only the surface tension at the Gibbs surface of tension vanishes in the Gibbsian method at this same limit). Also, for bubbles, the location of the surface of tension now diverges at the spinodal, similar to the divergent behavior exhibited by the equimolar dividing surface (in the Gibbsian method, the location of the surface of tension vanishes instead). For droplets, the new method allows for the appearance of negative surface tensions (the Gibbsian method always yields positive tensions) when the normal pressures within the interior of the embryo become less than the bulk pressure of the surrounding vapor phase. Such a

  18. Probing Surface-Adlayer Conjugation on Organic-Modified Si(111) Surfaces with Microscopy, Scattering, Spectroscopy, and Density Functional Theory

    International Nuclear Information System (INIS)

    Kellar, Joshua A.; Lin, Jui-Ching; Kim, Jun-Hyun; Yoder, Nathan L.; Bevan, Kirk H.; Stokes, Grace Y.; Geiger, Franz M.; Nguyen, SonBinh T.; Bedzyk, Michael J.; Hersam, Mark C.

    2009-01-01

    Highly conjugated molecules bound to silicon are promising candidates for organosilicon electronic devices and sensors. In this study, 1-bromo-4-ethynylbenzene was synthesized and reacted with a hydrogen-passivated Si(111) surface via ultraviolet irradiation. Through an array of characterization and modeling tools, the binding configuration and morphology of the reacted molecule were thoroughly analyzed. Atomic force microscopy confirmed an atomically flat surface morphology following reaction, while X-ray photoelectron spectroscopy verified reaction to the surface via the terminal alkyne moiety. In addition, synchrotron X-ray characterization, including X-ray reflectivity, X-ray fluorescence, and X-ray standing wave measurements, enabled sub-angstrom determination of the position of the bromine atom with respect to the silicon lattice. This structural characterization was quantitatively compared with density functional theory (DFT) calculations, thus enabling the π-conjugation of the terminal carbon atoms to be deduced. The X-ray and DFT results were additionally corroborated with the vibrational spectrum of the organic adlayer, which was measured with sum frequency generation. Overall, these results illustrate that the terminal carbon atoms in 1-bromo-4-ethynylbenzene adlayers on Si(111) retain π-conjugation, thus revealing alkyne molecules as promising candidates for organosilicon electronics and sensing.

  19. Performance of a commercial backscatter instrument adapted for noncontacting areal density measurements on small-diameter surfaces

    International Nuclear Information System (INIS)

    Higgins, P.B.

    1980-12-01

    Measuring the local areal density of a sensitive explosive deposited on a small-diameter surface requires noncontacting technique and good resolution. The side effects of spacing the sensing platen of an NX-500 Betascope 2.54 mm from the surface of cylinders as small as 13-mm diameter are examined. Resolution in two directions and offset error sensitivity of the system are defined and determined using coatings of simulated explosive. An eddy-current system is described which can be easily added to reduce offset errors caused by fixture misalignment

  20. Nanoscale mechanical and tribological properties of fluorocarbon films grafted onto plasma-treated low-density polyethylene surfaces

    International Nuclear Information System (INIS)

    Cheng, Q; Komvopoulos, K

    2012-01-01

    Fluorocarbon (FC) films were grafted onto Ar plasma-treated low-density polyethylene (LDPE) surfaces by plasma polymerization and deposition. The evolution of the surface morphology of the grafted FC films was investigated at different scales with an atomic force microscope. Nanoscale sliding experiments performed with a surface force microscope provided insight into the nanotribological properties of Ar plasma-treated LDPE, with and without grafted FC films, in terms of applied normal load and number of sliding cycles. The observed trends are explained in the context of microstructure models accounting for morphological and structure changes at the LDPE surface due to the effects of plasma treatment (e.g., selective etching of amorphous phase, chain crosslinking and FC film grafting) and surface sliding (e.g., crystalline lamellae alignment along the sliding direction). Nanoindentation experiments elucidated the effect of plasma treatment on surface viscoelasticity and global contact stiffness. The results of this study demonstrate that plasma-assisted grafting of FC films is an effective surface modification method for tuning the nanomechanical/tribological properties of polymers. (paper)

  1. Spin and orbital magnetisation densities determined by Compton scattering of photons

    International Nuclear Information System (INIS)

    Collins, S.P.; Laundy, D.; Cooper, M.J.; Lovesey, S.W.; Uppsala Univ.

    1990-03-01

    Compton scattering of a circularly polarized photon beam is shown to provide direct information on orbital and spin magnetisation densities. Experiments are reported which demonstrate the feasibility of the method by correctly predicting the ratio of spin and orbital magnetisation components in iron and cobalt. A partially polarised beam of 45 keV photons from the Daresbury Synchrotron Radiation Source produces charge-magnetic interference scattering which is measured by a field-difference method. Theory shows that the interference cross section contains the Compton profile of polarised electrons modulated by a structure factor which is a weighted sum of spin and orbital magnetisations. In particular, the scattering geometry for which the structure factor vanishes yields a unique value for the ratio of the magnetisation densities. Compton scattering, being an incoherent process, provides data on total unit cell magnetisations which can be directly compared with bulk data. In this respect, Compton scattering complements magnetic neutron and photon Bragg diffraction. (author)

  2. Density, viscosity, and surface tension of synthesis grade imidazolium,pyridinium, and pyrrolidinium based room temperature ionic liquids

    NARCIS (Netherlands)

    Galan Sanchez, L.M.; Espel, J.R.; Onink, S.A.F.; Meindersma, G.W.; Haan, de A.B.

    2009-01-01

    Density, viscosity, and surface tension data sets of 13 ionic liquids formed by imidazolium, pyridinium, or pyrrolidinium cations paired with dicyanamide (DCA), tetrafluoroborate (BF4¯), thiocyanate (SCN¯),methylsulfate (MeSO4¯), and trifluoroacetate (TFA) anions are reported. The properties were

  3. Density, viscosity, surface tension, and spectroscopic properties for binary system of 1,2-ethanediamine + diethylene glycol

    International Nuclear Information System (INIS)

    Li, Lihua; Zhang, Jianbin; Li, Qiang; Guo, Bo; Zhao, Tianxiang; Sha, Feng

    2014-01-01

    Graphical abstract: Excess property of the binary system 1,2-ethanediamine (EDA) + diethylene glycol (DEG). - Highlights: • Densities and viscosities of EDA + DEG at 298.15–318.150 K were listed. • Thermodynamics data of EDA + DEG at 298.15–318.15 K were calculated. • Surface tension of EDA + DEG at 298.15 K was measured. • Intermolecular interaction of EDA with DEG was discussed. - Abstract: This paper reports density and viscosity data at T = 298.15, 303.15, 308.15, 313.15, and 318.15 K and surface tension data at 298.15 K for the binary system 1,2-ethanediamine (EDA) + diethylene glycol (DEG) as a function of composition under atmospheric pressure. From the experimental density and viscosity data, the excess molar volume and viscosity deviation were calculated, and the results were fitted to a Redlich–Kister equation to obtain the coefficients and to estimate the standard deviations between the experimental and calculated quantities. Based on the kinematic viscosity data, enthalpy of activation for viscous flow, entropy of activation for the viscous flow, and Gibbs energies of activation of viscous flow were calculated. In addition, based on Fourier transform infrared spectra, UV–vis spectra, and electrical conductivity for the system EDA + DEG with various concentrations, intermolecular interaction of EDA with DEG was discussed

  4. The Surface Density Profile of the Galactic Disk from the Terminal Velocity Curve

    Science.gov (United States)

    McGaugh, Stacy S.

    2016-01-01

    The mass distribution of the Galactic disk is constructed from the terminal velocity curve and the mass discrepancy-acceleration relation. Mass models numerically quantifying the detailed surface density profiles are tabulated. For R0 = 8 kpc, the models have stellar mass 5 spiral galaxy that obeys scaling relations like the Tully-Fisher relation, the size-mass relation, and the disk maximality-surface brightness relation. The stellar disk is maximal, and the spiral arms are massive. The bumps and wiggles in the terminal velocity curve correspond to known spiral features (e.g., the Centaurus arm is a ˜50% overdensity). The rotation curve switches between positive and negative over scales of hundreds of parsecs. The rms amplitude { }1/2≈ 14 {km} {{{s}}}-1 {{kpc}}-1, implying that commonly neglected terms in the Jeans equations may be nonnegligible. The spherically averaged local dark matter density is ρ0,DM ≈ 0.009 {M}⊙ {{pc}}-3 (0.34 {GeV} {{cm}}-3). Adiabatic compression of the dark matter halo may help reconcile the Milky Way with the c-V200 relation expected in ΛCDM while also helping to mitigate the too-big-to-fail problem, but it remains difficult to reconcile the inner bulge/bar-dominated region with a cuspy halo. We note that NGC 3521 is a near twin to the Milky Way, having a similar luminosity, scale length, and rotation curve.

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

    Science.gov (United States)

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

    2018-06-13

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

  6. Dependence of cancer cell adhesion kinetics on integrin ligand surface density measured by a high-throughput label-free resonant waveguide grating biosensor.

    Science.gov (United States)

    Orgovan, Norbert; Peter, Beatrix; Bősze, Szilvia; Ramsden, Jeremy J; Szabó, Bálint; Horvath, Robert

    2014-02-07

    A novel high-throughput label-free resonant waveguide grating (RWG) imager biosensor, the Epic® BenchTop (BT), was utilized to determine the dependence of cell spreading kinetics on the average surface density (v(RGD)) of integrin ligand RGD-motifs. v(RGD) was tuned over four orders of magnitude by co-adsorbing the biologically inactive PLL-g-PEG and the RGD-functionalized PLL-g-PEG-RGD synthetic copolymers from their mixed solutions onto the sensor surface. Using highly adherent human cervical tumor (HeLa) cells as a model system, cell adhesion kinetic data of unprecedented quality were obtained. Spreading kinetics were fitted with the logistic equation to obtain the spreading rate constant (r) and the maximum biosensor response (Δλmax), which is assumed to be directly proportional to the maximum spread contact area (Amax). r was found to be independent of the surface density of integrin ligands. In contrast, Δλmax increased with increasing RGD surface density until saturation at high densities. Interpreting the latter behavior with a simple kinetic mass action model, a 2D dissociation constant of 1753 ± 243 μm(-2) (corresponding to a 3D dissociation constant of ~30 μM) was obtained for the binding between RGD-specific integrins embedded in the cell membrane and PLL-g-PEG-RGD. All of these results were obtained completely noninvasively without using any labels.

  7. The frequency-domain approach for apparent density mapping

    Science.gov (United States)

    Tong, T.; Guo, L.

    2017-12-01

    Apparent density mapping is a technique to estimate density distribution in the subsurface layer from the observed gravity data. It has been widely applied for geologic mapping, tectonic study and mineral exploration for decades. Apparent density mapping usually models the density layer as a collection of vertical, juxtaposed prisms in both horizontal directions, whose top and bottom surfaces are assumed to be horizontal or variable-depth, and then inverts or deconvolves the gravity anomalies to determine the density of each prism. Conventionally, the frequency-domain approach, which assumes that both top and bottom surfaces of the layer are horizontal, is usually utilized for fast density mapping. However, such assumption is not always valid in the real world, since either the top surface or the bottom surface may be variable-depth. Here, we presented a frequency-domain approach for apparent density mapping, which permits both the top and bottom surfaces of the layer to be variable-depth. We first derived the formula for forward calculation of gravity anomalies caused by the density layer, whose top and bottom surfaces are variable-depth, and the formula for inversion of gravity anomalies for the density distribution. Then we proposed the procedure for density mapping based on both the formulas of inversion and forward calculation. We tested the approach on the synthetic data, which verified its effectiveness. We also tested the approach on the real Bouguer gravity anomalies data from the central South China. The top surface was assumed to be flat and was on the sea level, and the bottom surface was considered as the Moho surface. The result presented the crustal density distribution, which was coinciding well with the basic tectonic features in the study area.

  8. Brane solutions sourced by a scalar with vanishing potential and classification of scalar branes

    Energy Technology Data Exchange (ETDEWEB)

    Cadoni, Mariano [Dipartimento di Fisica, Università di Cagliari,Cittadella Universitaria, 09042 Monserrato (Italy); INFN, Sezione di Cagliari,Cagliari (Italy); Franzin, Edgardo [Dipartimento di Fisica, Università di Cagliari,Cittadella Universitaria, 09042 Monserrato (Italy); INFN, Sezione di Cagliari,Cagliari (Italy); CENTRA, Departamento de Física, Instituto Superior Técnico, Universidade de Lisboa,Avenida Rovisco Pais 1, 1049 Lisboa (Portugal); Serra, Matteo [Dipartimento di Matematica, Sapienza Università di Roma,Piazzale Aldo Moro 2, 00185 Roma (Italy)

    2016-01-20

    We derive exact brane solutions of minimally coupled Einstein-Maxwell-scalar gravity in d+2 dimensions with a vanishing scalar potential and we show that these solutions are conformal to the Lifshitz spacetime whose dual QFT is characterized by hyperscaling violation. These solutions, together with the AdS brane and the domain wall sourced by an exponential potential, give the complete list of scalar branes sourced by a generic potential having simple (scale-covariant) scaling symmetries not involving Galilean boosts. This allows us to give a classification of both simple and interpolating brane solution of minimally coupled Einstein-Maxwell-scalar gravity having no Schrödinger isometries, which may be very useful for holographic applications.

  9. Effect of high flux plasma exposure on the micro-structural and -mechanical properties of ITER specification tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Dubinko, A., E-mail: adubinko@sckcen.be [Institute for Nuclear Material Sciences, SCK-CEN, 2400 Mol (Belgium); Department of Applied Physics, Ghent University, 9000 Ghent (Belgium); Terentyev, D. [Institute for Nuclear Material Sciences, SCK-CEN, 2400 Mol (Belgium); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Kashirskoe shosse 31, 115409 Moscow (Russian Federation); Bakaeva, A. [Institute for Nuclear Material Sciences, SCK-CEN, 2400 Mol (Belgium); Department of Applied Physics, Ghent University, 9000 Ghent (Belgium); Pardoen, T. [Institute of Mechanics, Materials and Civil Engineering, Université catholique de Louvain, Place Sainte Barbe 2 L5.02.02, 1348 Louvain‐la‐Neuve (Belgium); Zibrov, M. [Department of Applied Physics, Ghent University, 9000 Ghent (Belgium); Max-Planck-Institut für Plasmaphysik, Boltzmannstraße 2, D-85748 Garching (Germany); FOM Institute DIFFER – Dutch Institute for Fundamental Energy Research, De Zaale 20, 5612 AJ Eindhoven (Netherlands); Physik-Department E28, Technische Universität München, James-Franck-Straße 1, D-85748 Garching (Germany); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Kashirskoe shosse 31, 115409 Moscow (Russian Federation); Morgan, T.W. [FOM Institute DIFFER – Dutch Institute for Fundamental Energy Research, De Zaale 20, 5612 AJ Eindhoven (Netherlands)

    2017-02-15

    Highlights: • Plasma exposure induces dislocation-dominated microstructure. • The exposure-induced changes in microstructure vanish beyond a depth of 12–15 μm. • Surface hardness after the plasma exposure increases significantly in the sub-surface region of 1.5–3 μm. - Abstract: We have performed a combined study using transmission electron microscopy (TEM), nuclear reaction analysis (NRA) and nano-indentation (NI) techniques to reveal the impact of high flux plasma exposure on the properties of a sub-surface region of the commercially available pure tungsten fabricated following the ITER specification. TEM examination revealed the formation of a dense dislocation network and dislocation tangles, resulting in a strong increase in the dislocation density by at least one order of magnitude as compared to the bulk density. The plasma-induced dislocation microstructure vanishes within a depth of about 10–15 μm from the top of the exposed surface. Surface hardness after the plasma exposure was characterized by NI and was found to increase significantly in the sub-surface region of 1.5–3 μm. That was attributed to the resistance of the plasma-induced dislocation networks and deuterium-induced defects, whose presence within a depth of ∼1 μm was unambiguously detected by the NRA measurements as well.

  10. Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp

    2017-02-28

    Highlights: • The reaction pathway of the hydrogen addition to graphene surface was determined by the DFT method. • Binding energies of atomic hydrogen to graphene surface were determined. • Absorption spectrum of hydrogenated graphene was theoretically predicted. • Hyperfine coupling constant of hydrogenated graphene was theoretically predicted. - Abstract: Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4–37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2–7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8–28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

  11. Guts of surfaces and the colored Jones polynomial

    CERN Document Server

    Futer, David; Purcell, Jessica

    2013-01-01

    This monograph derives direct and concrete relations between colored Jones polynomials and the topology of incompressible spanning surfaces in knot and link complements. Under mild diagrammatic hypotheses, we prove that the growth of the degree of the colored Jones polynomials is a boundary slope of an essential surface in the knot complement. We show that certain coefficients of the polynomial measure how far this surface is from being a fiber for the knot; in particular, the surface is a fiber if and only if a particular coefficient vanishes. We also relate hyperbolic volume to colored Jones polynomials. Our method is to generalize the checkerboard decompositions of alternating knots. Under mild diagrammatic hypotheses, we show that these surfaces are essential, and obtain an ideal polyhedral decomposition of their complement. We use normal surface theory to relate the pieces of the JSJ decomposition of the  complement to the combinatorics of certain surface spines (state graphs). Since state graphs have p...

  12. Three dimensional classical theory of rainbow scattering of atoms from surfaces

    International Nuclear Information System (INIS)

    Pollak, Eli; Miret-Artes, Salvador

    2010-01-01

    Graphical abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously. - Abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously.

  13. Effects of post heat-treatment on surface characteristics and adhesive bonding performance of medium density fiberboard

    Science.gov (United States)

    Nadir Ayrilimis; Jerrold E. Winandy

    2009-01-01

    A series of commercially manufactured medium density fiberboard (MDF) panels were exposed to a post-manufacture heat-treatment at various temperatures and durations using a hot press and just enough pressure to ensure firm contact between the panel and the press platens. Post-manufacture heat-treatment improved surface roughness of the exterior MDF panels. Panels...

  14. Simulated X-ray galaxy clusters at the virial radius: Slopes of the gas density, temperature and surface brightness profiles

    Science.gov (United States)

    Roncarelli, M.; Ettori, S.; Dolag, K.; Moscardini, L.; Borgani, S.; Murante, G.

    2006-12-01

    Using a set of hydrodynamical simulations of nine galaxy clusters with masses in the range 1.5 × 1014 matter of tension between simulated and observed properties, and up to the virial radius and beyond, where present observations are unable to provide any constraints. We have modelled the radial profiles between 0.3R200 and 3R200 with power laws with one index, two indexes and a rolling index. The simulated temperature and [0.5-2] keV surface brightness profiles well reproduce the observed behaviours outside the core. The shape of all these profiles in the radial range considered depends mainly on the activity of the gravitational collapse, with no significant difference among models including extraphysics. The profiles steepen in the outskirts, with the slope of the power-law fit that changes from -2.5 to -3.4 in the gas density, from -0.5 to -1.8 in the gas temperature and from -3.5 to -5.0 in the X-ray soft surface brightness. We predict that the gas density, temperature and [0.5-2] keV surface brightness values at R200 are, on average, 0.05, 0.60, 0.008 times the measured values at 0.3R200. At 2R200, these values decrease by an order of magnitude in the gas density and surface brightness, by a factor of 2 in the temperature, putting stringent limits on the detectable properties of the intracluster-medium (ICM) in the virial regions.

  15. Magnetic fields produced by rotating symmetrical bodies with homogeneous surface charge density

    International Nuclear Information System (INIS)

    Espejel-Morales, R; Murguía-Romero, G; Calles, A; Cabrera-Bravo, E; Morán-López, J L

    2016-01-01

    We present a numerical calculation for the stationary magnetic field produced by different rotating bodies with homogeneous and constant surface charge density. The calculation is done by superposing the magnetic field produced by a set of loops of current which mimic the magnetic field produced by belts of current defined by slices of fixed width. We consider the cases of a sphere, ellipsoids, open and closed cylinders and a combination of these in a dumbbell -like shell. We also plot their magnetic field lines using a technique that make use of the Runge–Kutta fourth-order method. Up to our knowledge, the case of closed cylinders was not calculated before. In contrast to previous results, we find that the magnetic field inside finite hollow bodies is homogeneous only in the case of a sphere. This is consequence of the fact that, for the sphere, the surface of any slice taken perpendicularly to the rotation axis, depends only on its thickness, like in the case of an infinite cylinder. (paper)

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

    Science.gov (United States)

    Grohe, Bernd

    2017-08-01

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

  17. Finite grid radius and thickness effects on retarding potential analyzer measured suprathermal electron density and temperature

    International Nuclear Information System (INIS)

    Knudsen, W.C.

    1992-01-01

    The effect of finite grid radius and thickness on the electron current measured by planar retarding potential analyzers (RPAs) is analyzed numerically. Depending on the plasma environment, the current is significantly reduced below that which is calculated using a theoretical equation derived for an idealized RPA having grids with infinite radius and vanishingly small thickness. A correction factor to the idealized theoretical equation is derived for the Pioneer Venus (PV) orbiter RPA (ORPA) for electron gases consisting of one or more components obeying Maxwell statistics. The error in density and temperature of Maxwellian electron distributions previously derived from ORPA data using the theoretical expression for the idealized ORPA is evaluated by comparing the densities and temperatures derived from a sample of PV ORPA data using the theoretical expression with and without the correction factor

  18. Effect of Ar ion on the surface properties of low density polyethylene

    Science.gov (United States)

    Zaki, M. F.

    2016-04-01

    In this paper, low-density polyethylene (LDPE) was irradiated by argon ion with different fluences up to 1015ions/cm2. The optical, chemical and hardness properties have been investigated using UV-Vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and micro-indentation tester, respectively. The results showed the ion beam bombardment induced decreases in the transmittance of the irradiated polymer samples. This change in transmittance can be attributed to the formation of conjugated bonds i.e. possible formation of defects and/or carbon clusters. The indirect optical band gap decreased from 3.0 eV for the pristine sample to 2.3 eV for that sample irradiated with the highest fluence of the Ar ion beam. Furthermore, the number of carbon atoms and clusters increased with increasing Ar ion fluences. FTIR spectra showed the formation of new bands of the bombarded polymer samples. Furthermore, polar groups were created on the surface of the irradiated samples which refer to the increase of the hydrophilic nature of the surface of the irradiated samples. The Vicker's hardness increased from 4.9 MPa for the pristine sample to 17.9 MPa for those bombarded at the highest fluence. This increase is attributed to the increase in the crosslinking and alterations of the bombarded surface into hydrogenated amorphous carbon, which improves the hardness of the irradiated samples. The bombarded LDPE surfaces may be used in special applications to the field of the micro-electronic devices and shock absorbers.

  19. Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

    Science.gov (United States)

    Adame, J.; Warzel, S.

    2015-11-01

    In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

  20. Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

    International Nuclear Information System (INIS)

    Adame, J.; Warzel, S.

    2015-01-01

    In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM

  1. Catalyst-Free Conjugation and In Situ Quantification of Nanoparticle Ligand Surface Density Using Fluorogenic Cu-Free Click Chemistry

    DEFF Research Database (Denmark)

    Jølck, Rasmus Irming; Sun, Honghao; Berg, Rolf Henrik

    2011-01-01

    A highly efficient method for functionalizing nanoparticles and directly quantifying conjugation efficiency and ligand surface density has been developed. Attachment of 3-azido-modifed RGD-peptides to PEGylated liposomes was achieved by using Cu-free click conditions. Upon coupling a fluorophore ...

  2. Stretch rate effects and flame surface densities in premixed turbulent combustion up to 1.25 MPa

    KAUST Repository

    Bagdanavicius, Audrius

    2015-11-01

    Independent research at two centres using a burner and an explosion bomb has revealed important aspects of turbulent premixed flame structure. Measurements at pressures and temperatures up to 1.25MPa and 673K in the two rigs were aimed at quantifying the influences of flame stretch rate and strain rate Markstein number, Masr , on both turbulent burning velocity and flame surface density. That on burning velocity is expressed through the stretch rate factor, Io , or probability of burning, Pb 0.5. These depend on Masr , but they grow in importance as the Karlovitz stretch factor, K, increases, and are evaluated from the associated burning velocity data. Planar laser tomography was employed to identify contours of reaction progress variable in both rigs. These enabled both an appropriate flame front for the measurement of the turbulent burning velocity to be identified, and flame surface densities, with the associated factors, to be evaluated. In the explosion measurements, these parameters were derived also from the flame surface area, the derived Pb 0.5 factor and the measured turbulent burning velocities. In the burner measurement they were calculated directly from the flame surface density, which was derived from the flame contours.A new overall correlation is derived for the Pb 0.5 factor, in terms of Masr at different K and this is discussed in the light of previous theoretical studies. The wrinkled flame surface area normalised by the area associated with the turbulent burning velocity measurement, and the ratio of turbulent to laminar burning velocity, ut /ul , are also evaluated. The higher the value of Pb0.5, the more effective is an increased flame wrinkling in increasing ut /ul A correlation of the product of k and the laminar flame thickness with Karlovitz stretch factor and Markstein number is explored using the present data and those of other workers. Some generality is revealed, enabling the wave length associated with the spatial change in mean

  3. Stretch rate effects and flame surface densities in premixed turbulent combustion up to 1.25 MPa

    KAUST Repository

    Bagdanavicius, Audrius; Bowen, Phil J.; Bradley, Derek; Lawes, Malcolm; Mansour, Morkous S.

    2015-01-01

    Independent research at two centres using a burner and an explosion bomb has revealed important aspects of turbulent premixed flame structure. Measurements at pressures and temperatures up to 1.25MPa and 673K in the two rigs were aimed at quantifying the influences of flame stretch rate and strain rate Markstein number, Masr , on both turbulent burning velocity and flame surface density. That on burning velocity is expressed through the stretch rate factor, Io , or probability of burning, Pb 0.5. These depend on Masr , but they grow in importance as the Karlovitz stretch factor, K, increases, and are evaluated from the associated burning velocity data. Planar laser tomography was employed to identify contours of reaction progress variable in both rigs. These enabled both an appropriate flame front for the measurement of the turbulent burning velocity to be identified, and flame surface densities, with the associated factors, to be evaluated. In the explosion measurements, these parameters were derived also from the flame surface area, the derived Pb 0.5 factor and the measured turbulent burning velocities. In the burner measurement they were calculated directly from the flame surface density, which was derived from the flame contours.A new overall correlation is derived for the Pb 0.5 factor, in terms of Masr at different K and this is discussed in the light of previous theoretical studies. The wrinkled flame surface area normalised by the area associated with the turbulent burning velocity measurement, and the ratio of turbulent to laminar burning velocity, ut /ul , are also evaluated. The higher the value of Pb0.5, the more effective is an increased flame wrinkling in increasing ut /ul A correlation of the product of k and the laminar flame thickness with Karlovitz stretch factor and Markstein number is explored using the present data and those of other workers. Some generality is revealed, enabling the wave length associated with the spatial change in mean

  4. QCD Green's Functions and Phases of Strongly-Interacting Matter

    Directory of Open Access Journals (Sweden)

    Schaefer B.J.

    2011-04-01

    Full Text Available After presenting a brief summary of functional approaches to QCD at vanishing temperatures and densities the application of QCD Green's functions at non-vanishing temperature and vanishing density is discussed. It is pointed out in which way the infrared behavior of the gluon propagator reflects the (de-confinement transition. Numerical results for the quark propagator are given thereby verifying the relation between (de--confinement and dynamical chiral symmetry breaking (restoration. Last but not least some results of Dyson-Schwinger equations for the color-superconducting phase at large densities are shown.

  5. The influence of carrier density and doping type on lithium insertion and extraction processes at silicon surfaces

    International Nuclear Information System (INIS)

    McSweeney, W.; Lotty, O.; Glynn, C.; Geaney, H.; Holmes, J.D.; O’Dwyer, C.

    2014-01-01

    The Li + insertion and extraction characteristics at n-type and p-type Si(100) electrodes with different carrier density and doping type are investigated by cyclic voltammetry and constant current measurements. The insertion and extraction potentials are demonstrated to vary with cycling and the occurrence of an activation effect is shown in n-type electrodes where the charge capacity and voltammetric currents are found to be much higher than p-type electrodes. A rate-dependent redox process influenced by the surface region electronic density, which influences the magnitude of cyclic voltammetry current is found at Si(100) surface regions during Li insertion and extraction. At p-type Si(100) surface regions, a thin, uniform film forms at lower currents, while also showing a consistently high (>70%) Coulombic efficiency for Li extraction. The p-type Si(100) surface region does not undergo crack formation after deintercalation and the amorphization was demonstrated using transmission electron microscopy (TEM). X-ray photoelectron spectroscopy (XPS) and Raman scattering demonstrate that highly doped n-type Si(100) retains Li as a silicide and converts to an amorphous phase as a two-step phase conversion process. The findings show the succinct dependence of Li insertion and extraction processes for uniformly doped Si(100) single crystals and how the doping type and its effect on the semiconductor-solution interface dominate Li insertion and extraction, composition, crystallinity changes and charge capacity

  6. The influence of land surface parameters on energy flux densities derived from remote sensing data

    Energy Technology Data Exchange (ETDEWEB)

    Tittebrand, A.; Schwiebus, A. [Inst. for Hydrology und Meteorology, TU Dresden (Germany); Berger, F.H. [Observatory Lindenberg, German Weather Service, Lindenberg (Germany)

    2005-04-01

    Knowledge of the vegetation properties surface reflectance, normalised difference vegetation index (NDVI) and leaf area index (LAI) are essential for the determination of the heat and water fluxes between terrestrial ecosystems and the atmosphere. Remote sensing data can be used to derive spatial estimates of the required surface properties. The determination of land surface parameters and their influence on radiant and energy flux densities is investigated with data of different remote sensing systems. Sensitivity studies show the importance of correctly derived land surface properties to estimate the key quantity of the hydrological cycle, the evapotranspiration (L.E), most exactly. In addition to variable parameters like LAI or NDVI there are also parameters which are can not be inferred from satellite data but needed for the Penman-Monteith approach. Fixed values are assumed for these variables because they have little influence on L.E. Data of Landsat-7 ETM+ and NOAA-16 AVHRR are used to show results in different spatial resolution. The satellite derived results are compared with ground truth data provided by the Observatory Lindenberg of the German Weather Service. (orig.)

  7. Density functional theory prediction for diffusion of lithium on boron-doped graphene surface

    International Nuclear Information System (INIS)

    Gao Shuanghong; Ren Zhaoyu; Wan Lijuan; Zheng Jiming; Guo Ping; Zhou Yixuan

    2011-01-01

    The density functional theory (DFT) investigation shows that graphene has changed from semimetal to semiconductor with the increasing number of doped boron atoms. Lithium and boron atoms acted as charge contributors and recipients, which attracted to each other. Further investigations show that, the potential barrier for lithium diffusion on boron-doped graphene is higher than that of intrinsic graphene. The potential barrier is up to 0.22 eV when six boron atoms doped (B 6 C 26 ), which is the lowest potential barrier in all the doped graphene. The potential barrier is dramatically affected by the surface structure of graphene.

  8. Density distortion within a rotating body

    International Nuclear Information System (INIS)

    Lanzano, P.

    1975-01-01

    This paper ascertains the distortion of the density distribution within a self-gravitating body in hydrostatic equilibrium under the influence of rotation. For this purpose, the Poisson equation has been solved by using the undistorted density profile within the Laplacian to obtain the distorted density. The Laplacian has been expressed in terms of a system of curvilinear coordinates for which the equipotential surfaces constitute a family of fundamental surfaces. In performing the requisite algebraic manipulations, the Clairaut and Radau equations developed in a previous paper (Lanzano,1974) were utilized to eliminate the derivatives of the elements pertaining to the equipotential surfaces. The density distortion has been obtained up to third-order terms in a small rotational parameter. (Auth.)

  9. Phase models of galaxies consisting of a disk and halo

    International Nuclear Information System (INIS)

    Osipkov, L.P.; Kutuzov, S.A.

    1988-01-01

    A method is developed for finding the phase density of a two-component model of a distribution of masses. The equipotential surfaces and potential law are given. The equipotentials are lenslike surfaces with a sharp edge in the equatorial plane, this ensuring the existence of a vanishingly thin embedded disk. The equidensity surfaces of the halo coincide with the equipotentials. Phase models are constructed separately for the halo and for the disk on the basis of the spatial and surface mass densities by the solution of the corresponding integral equations. In particular, models with a halo having finite dimensions can be constructed. For both components, the part of the phase density even with respect to the velocities is found. For the halo, it depends only on the energy integral. Two examples, for which exact solutions are found, are considered

  10. Potential of electrical resistivity tomography and muon density imaging to study spatio-temporal variations in the sub-surface

    Science.gov (United States)

    Lesparre, Nolwenn; Cabrera, Justo; Courbet, Christelle

    2015-04-01

    We explore the capacity of electrical resistivity tomography and muon density imaging to detect spatio-temporal variations of the medium surrounding a regional fault crossing the underground platform of Tournemire (Aveyron, France). The studied Cernon fault is sub-vertical and intersects perpendicularly the tunnel of Tournemire and extends to surface. The fault separates clay and limestones layers of the Dogger from limestones layers of the Lias. The Cernon fault presents a thickness of a ten of meters and drives water from an aquifer circulating at the top of the Dogger clay layer to the tunnel. An experiment combining electrical resistivity imaging and muon density imaging was setup taking advantage of the tunnel presence. A specific array of electrodes were set up, adapted for the characterization of the fault. Electrodes were placed along the tunnel as well as at the surface above the tunnel on both sides of the fault in order to acquire data in transmission across the massif to better cover the sounded medium. Electrical resistivity is particularly sensitive to water presence in the medium and thus carry information on the main water flow paths and on the pore space saturation. At the same time a muon sensor was placed in the tunnel under the fault region to detect muons coming from the sky after their crossing of the rock medium. Since the muon flux is attenuated as function of the quantity of matter crossed, muons flux measurements supply information on the medium average density along muons paths. The sensor presents 961 angles of view so measurements performed from one station allows a comparison of the muon flux temporal variations along the fault as well as in the medium surrounding the fault. As the water saturation of the porous medium fluctuates through time the medium density might indeed present sensible variations as shown by gravimetric studies. During the experiment important rainfalls occurred leading variations of the medium properties

  11. Biofilm Surface Density Determines Biocide Effectiveness

    Directory of Open Access Journals (Sweden)

    Sara Bas

    2017-12-01

    Full Text Available High resistance of biofilms for chemical challenges is a serious industrial and medical problem. In this work a gradient of surface covered with biofilm has been produced and correlated to the effectiveness of different commercially available oxidative biocides. The results for thin Escherichia coli biofilms grown in rich media supplemented with glucose or lactose on glass or poly methyl methacrylate surfaces indicate that the effectiveness of hydrogen peroxide or chlorine dioxide and quaternary ammonium compounds is inversely proportional to the fraction of the surface covered with the biofilm. In areas where biofilm covered more than 90% of the available surface the biocide treatment was inefficient after 60 min of incubation. The combined effect of oxidant and surfactant increased the effectiveness of the biocide. On the other hand, the increased biofilm viscoelasticity reduced biocide effectiveness. The results emphasize differential biocide effectiveness depending on the fraction of the attached bacterial cells. The results suggest that biofilm biocide resistance is an acquired property that increases with biofilm maturation. The more dense sessile structures present lower log reductions compared to less dense ones.

  12. Electron density in surface barrier discharge emerging at argon/water interface: quantification for streamers and leaders

    Science.gov (United States)

    Cvetanović, Nikola; Galmiz, Oleksandr; Synek, Petr; Zemánek, Miroslav; Brablec, Antonín; Hoder, Tomáš

    2018-02-01

    Optical emission spectroscopy, fast intensified CCD imaging and electrical measurements were applied to investigate the basic plasma parameters of surface barrier discharge emerging from a conductive water electrode. The discharge was generated at the triple-line interface of atmospheric pressure argon gas and conductive water solution at the fused silica dielectrics using a sinusoidal high-voltage waveform. The spectroscopic methods of atomic line broadening and molecular spectroscopy were used to determine the electron densities and the gas temperature in the active plasma. These parameters were obtained for both applied voltage polarities and resolved spatially. Two different spectral signatures were identified in the spatially resolved spectra resulting in electron densities differing by two orders of magnitude. It is shown that two discharge mechanisms take a place: the streamer and the leader one, with electron densities of 1014 and 1016 cm-3, respectively. This spectroscopic evidence is supported by the combined diagnostics of electrical current measurements and phase-resolved intensified CCD camera imaging.

  13. Hydrogen, oxygen and hydroxyl on porous silicon surface: A joint density-functional perturbation theory and infrared spectroscopy approach

    International Nuclear Information System (INIS)

    Alfaro, Pedro; Palavicini, Alessio; Wang, Chumin

    2014-01-01

    Based on the density functional perturbation theory (DFPT), infrared absorption spectra of porous silicon are calculated by using an ordered pore model, in which columns of silicon atoms are removed along the [001] direction and dangling bonds are initially saturated with hydrogen atoms. When these atoms on the pore surface are gradually replaced by oxygen ones, the ab-initio infrared absorption spectra reveal oxygen, hydroxyl, and coupled hydrogen–oxygen vibrational modes. In a parallel way, freestanding porous silicon samples were prepared by using electrochemical etching and they were further thermally oxidized in a dry oxygen ambient. Fourier transform infrared spectroscopy was used to investigate the surface modifications caused by oxygen adsorption. In particular, the predicted hydroxyl and oxygen bound to the silicon pore surface are confirmed. Finally, a global analysis of measured transmittance spectra has been performed by means of a combined DFPT and thin-film optics approach. - Highlights: • The density functional perturbation theory is used to study infrared absorption. • An ordered pore model is used to investigate the oxidation in porous silicon (PSi). • Infrared transmittance spectra of oxidized PSi freestanding samples are measured

  14. Critical current density of BiSrCaCuO superconductors: effect of surface barriers

    International Nuclear Information System (INIS)

    Konczykowski, M.; Chikumoto, N.

    1992-01-01

    Effects of surface barriers on vortex motion in BiSrCaCuO-2212 high-temperature superconducting crystals is summarized. Characteristic features of this phenomenon appear in the hysteresis loop (shape of its ascending and descending branches), in the effect of 2.5 MeV electron irradiation, and in flux creep measurements (magnetization dependence to the crystal lateral dimension, size of the flux-creep barrier and the crossover as a function of temperature and time persistent current density). (A.B.). 25 refs., 3 figs

  15. Vanishing current hysteresis under competing nuclear spin pumping processes in a quadruplet spin-blockaded double quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Amaha, S., E-mail: s-amaha@riken.jp [Quantum Spin Information Project, Japan Science and Technology Agency, ICORP, 3-1, Morinosato Wakamiya, Atsugi-shi, Kanagawa 243-0198 (Japan); Quantum Functional System Research Group, RIKEN Center for Emergent Matter Science, RIKEN, 3-1 Wako-shi, Saitama 351-0198 (Japan); Hatano, T. [Quantum Spin Information Project, Japan Science and Technology Agency, ICORP, 3-1, Morinosato Wakamiya, Atsugi-shi, Kanagawa 243-0198 (Japan); Department of Physics, Tohoku University, Sendai-shi, Miyagi 980-8578 (Japan); Tarucha, S. [Quantum Spin Information Project, Japan Science and Technology Agency, ICORP, 3-1, Morinosato Wakamiya, Atsugi-shi, Kanagawa 243-0198 (Japan); Quantum Functional System Research Group, RIKEN Center for Emergent Matter Science, RIKEN, 3-1 Wako-shi, Saitama 351-0198 (Japan); Department of Applied Physics, School of Engineering, University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Gupta, J. A.; Austing, D. G. [National Research Council of Canada, M50, Montreal Road, Ottawa, Ontario K1A 0R6 (Canada)

    2015-04-27

    We investigate nuclear spin pumping with five-electron quadruplet spin states in a spin-blockaded weakly coupled vertical double quantum dot device. Two types of hysteretic steps in the leakage current are observed on sweeping the magnetic field and are associated with bidirectional polarization of nuclear spin. Properties of the steps are understood in terms of bias-voltage-dependent conditions for the mixing of quadruplet and doublet spin states by the hyperfine interaction. The hysteretic steps vanish when up- and down-nuclear spin pumping processes are in close competition.

  16. Density Functional Theory and Atomic Force Microscopy Study of Oleate Functioned on Siderite Surface

    Directory of Open Access Journals (Sweden)

    Lixia Li

    2018-01-01

    Full Text Available Efficiently discovering the interaction of the collector oleate and siderite is of great significance for understanding the inherent function of siderite weakening hematite reverse flotation. For this purpose, investigation of the adsorption behavior of oleate on siderite surface was performed by density functional theory (DFT calculations associating with atomic force microscopy (AFM imaging. The siderite crystal geometry was computationally optimized via convergence tests. Calculated results of the interaction energy and the Mulliken population verified that the collector oleate adsorbed on siderite surface and the covalent bond was established as a result of electrons transferring from O1 atoms (in oleate molecule to Fe1 atoms (in siderite lattice. Therefore, valence-electrons’ configurations of Fe1 and O1 changed into 3d6.514s0.37 and 2s1.832p4.73 from 3d6.214s0.31 and 2s1.83p4.88 correspondingly. Siderite surfaces with or without oleate functioned were examined with the aid of AFM imaging in PeakForce Tapping mode, and the functioned siderite surface was found to be covered by vesicular membrane matters with the average roughness of 16.4 nm assuring the oleate adsorption. These results contributed to comprehending the interaction of oleate and siderite.

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

    Energy Technology Data Exchange (ETDEWEB)

    Koepferl, Christine M.; Robitaille, Thomas P. [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Dale, James E., E-mail: koepferl@usm.lmu.de [University Observatory Munich, Scheinerstr. 1, D-81679 Munich (Germany)

    2017-11-01

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

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

    Science.gov (United States)

    Koepferl, Christine M.; Robitaille, Thomas P.; Dale, James E.

    2017-11-01

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

  19. Three dimensional classical theory of rainbow scattering of atoms from surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Pollak, Eli, E-mail: eli.pollak@weizmann.ac.il [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovoth (Israel); Miret-Artes, Salvador [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain)

    2010-10-05

    Graphical abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously. - Abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously.

  20. Scanning-tunneling microscope imaging of single-electron solitons in a material with incommensurate charge-density waves.

    Science.gov (United States)

    Brazovskii, Serguei; Brun, Christophe; Wang, Zhao-Zhong; Monceau, Pierre

    2012-03-02

    We report on scanning-tunneling microscopy experiments in a charge-density wave (CDW) system allowing visually capturing and studying in detail the individual solitons corresponding to the self-trapping of just one electron. This "Amplitude Soliton" is marked by vanishing of the CDW amplitude and by the π shift of its phase. It might be the realization of the spinon--the long-sought particle (along with the holon) in the study of science of strongly correlated electronic systems. As a distinct feature we also observe one-dimensional Friedel oscillations superimposed on the CDW which develop independently of solitons.

  1. A study of the rates of heat transfer and bubble site density for nucleate boiling on an inclined heating surface

    International Nuclear Information System (INIS)

    Bonamy, S.E.; Symons, J.G.

    1974-08-01

    Nucleate pool boiling of distilled water from an electrically heated surface at atmospheric pressure is studied for varying heating surface inclinations. The constants of the accepted boiling equation phi = K Tsup(B) and the Rohsenow Correlation Coefficient are found to be dependent on surface orientation. Convection cooling is observed to play a major role in pool boiling phenomena and causes large changes in the heat transfer rates for a given excess of temperature of the heated surface. Active nucleation site density is studied and found to be independent of surface inclination. Empirical relations are presented to provide an understanding of the effects of inclination on other boiling parameters. (author)

  2. Influence of aspect ratio and surface defect density on hydrothermally grown ZnO nanorods towards amperometric glucose biosensing applications

    Science.gov (United States)

    Shukla, Mayoorika; Pramila; Dixit, Tejendra; Prakash, Rajiv; Palani, I. A.; Singh, Vipul

    2017-11-01

    In this work, hydrothermally grown ZnO Nanorods Array (ZNA) has been synthesized over Platinum (Pt) coated glass substrate, for biosensing applications. In-situ addition of strong oxidizing agent viz KMnO4 during hydrothermal growth was found to have profound effect on the physical properties of ZNA. Glucose oxidase (GOx) was later immobilized over ZNA by means of physical adsorption process. Further influence of varying aspect ratio, enzyme loading and surface defects on amperometric glucose biosensor has been analyzed. Significant variation in biosensor performance was observed by varying the amount of KMnO4 addition during the growth. Moreover, investigations revealed that the suppression of surface defects and aspect ratio variation of the ZNA played key role towards the observed improvement in the biosensor performance, thereby significantly affecting the sensitivity and response time of the fabricated biosensor. Among different biosensors fabricated having varied aspect ratio and surface defect density of ZNA, the best electrode resulted into sensitivity and response time to be 18.7 mA cm-2 M-1 and <5 s respectively. The observed results revealed that apart from high aspect ratio nanostructures and the extent of enzyme loading, surface defect density also hold a key towards ZnO nanostructures based bio-sensing applications.

  3. Modulation of electromagnetic local density of states by coupling of surface phonon-polariton

    Science.gov (United States)

    Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua

    2017-02-01

    We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.

  4. Surface modification of TC4 titanium alloy by high current pulsed electron beam (HCPEB) with different pulsed energy densities

    International Nuclear Information System (INIS)

    Gao, Yu-kui

    2013-01-01

    Highlights: •The hardness changes were determined by nanoindention method. •The surface integrity changes were investigated by different techniques. •The mechanism was analyzed based on AFM and TEM investigations. -- Abstract: Surface changes including surface topography and nanohardness distribution along surface layer were investigated for TC4 titanium alloy by different energy densities of high current pulsed electron beam (HCPEB). The surface topography was characterized by SEM and AFM, and cross-sectional TEM observation was performed to reveal the surface modification mechanism of TC4 titanium alloy by HCPEB. The surface roughness was modified by HCPEB and the polishing mechanism was analyzed by studying the cross section microstructure of electron beam treated specimens by SEM. The fine grain structure inherited from the rapid solidification of the melted layer as well as the strain hardening of the sub-surface are two of the factors responsible the increase in nanohardness

  5. Surface flux density distribution characteristics of bulk high-T c superconductor in external magnetic field

    International Nuclear Information System (INIS)

    Nishikawa, H.; Torii, S.; Yuasa, K.

    2005-01-01

    This paper describes the measured results of the two-dimensional flux density distribution of a YBCO bulk under applied AC magnetic fields with various frequency. Melt-processed oxide superconductors have been developed in order to obtain strong pinning forces. Various electric mechanical systems or magnetic levitation systems use those superconductors. The major problem is that cracks occur because the bulk superconductors are brittle. The bulk may break in magnetizing process after cracks make superconducting state instable. The trapped flux density and the permanent current characteristics of bulk superconductors have been analyzed, so as to examine the magnetizing processes or superconducting states of the bulk. In those studies, the two-dimensional surface flux density distributions of the bulk in static fields are discussed. On the other hand, the distributions in dynamic fields are little discussed. We attempted to examine the states of the bulk in the dynamic fields, and made a unique experimental device which has movable sensors synchronized with AC applied fields. As a result, the two-dimensional distributions in the dynamic fields are acquired by recombining the one-dimensional distributions. The dynamic states of the flux of the bulk and the influences of directions of cracks are observed from the distributions. In addition, a new method for measuring two-dimensional flux density distribution under dynamic magnetic fields is suggested

  6. Density Functional Calculation of the 0.5ML-Terminated Allyl Mercaptan/Si(100)-(2 × 1) Surface

    International Nuclear Information System (INIS)

    Chun-Mei, Tang; Kai-Ming, Deng; Xuan, Chen; Chuan-Yun, Xiao; Yu-Zhen, Liu; Qun-Xiang, Li

    2009-01-01

    The structural and electronic properties of the 0.5 ML-terminated allyl mercaptan (ALM)/Si(100)-(2 × 1) surface are studied using the density functional method. The calculated absorption energy of the ALM molecule on the 0.5 ML-terminated ALM/Si(100)-(2 × 1) surface is 3.36 eV, implying that adsorption is strongly favorable. The electronic structure calculations show that the ALM/Si(100)-(2 × 1), the clean Si(100)-(2 × 1), and the fully-terminated H/Si(100)-(2 × 1) surfaces have the nature of an indirect band gap semiconductor. The highest occupied molecular orbital is dominated by the ALM, confirming the mechanism proposed by Hossain for its chain reaction. (condensed matter: structure, mechanical and thermal properties)

  7. The effect of activation agent on surface morphology, density and porosity of palm shell and coconut shell activated carbon

    Science.gov (United States)

    Leman, A. M.; Zakaria, S.; Salleh, M. N. M.; Sunar, N. M.; Feriyanto, D.; Nazri, A. A.

    2017-09-01

    Activated carbon (AC) has one of the promising alternative technology for filtration and adsorption process. It inexpensive material because the sources is abundant especially in Malaysia. Main purpose of this project is to develop AC by chemical activation process to improve adsorption capacity by improving porosity of AC. AC developed via carbonization using designed burner at temperature of 650°C to 850 °C and activated by Potassium Hydroxide (KOH) in 12 hour and then dried at temperature of 300°C. Characterization and analysis is conducted by Scanning Electron Microscopy (SEM) for surface morphology analysis, Energy Dispersive Spectroscopy (EDS) for composition analysis, density and porosity analysis. Results shows that uneven surface has been observed both of AC and non-AC and also AC shows higher porosity as compared to non-AC materials. Density value of raw material has lower than AC up to 11.67% and 47.54% and porosity of raw material has higher than AC up to 31.45% and 45.69% for palm shell and coconut shell AC. It can be concluded that lower density represent higher porosity of material and higher porosity indicated higher adsorption capacity as well.

  8. Measurements and analysis of the noise spectral density of YBCO films

    International Nuclear Information System (INIS)

    Taoufik, A.; Bghour, M.; Labrag, A.; Bouaaddi, A.; Abaragh, A.; Ramzi, A.; Senoussi, S.; Tirbiyine, A.

    2006-01-01

    We studied the voltage noise spectral density S V (f,T,H) dependence on frequency f, temperature T and applied magnetic field H in YBa 2 Cu 3 O 7-δ films. The voltage noise spectral density S V (f) as a function of frequency exhibits 1/f behavior according to a Lorentzian shape A [(1+πf/f 0 ) B ] C , where A, f 0 , B, C constants which are determined and compared for many values of H. The influence of temperature and magnetic field is clearly observed as a function of temperature, S V (T) is found to vanish at T g , the temperature of vortex glass transition, according to a (T-T g ) x law. We interpreted those results by the formation of a large distribution of glass vortex domains. Approaching T g , these domains grow in size and lifetime, while at T g those parameters diverge. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  9. External kink mode stability of tokamaks with finite edge current density in plasma outside separatrix

    International Nuclear Information System (INIS)

    Degtyarev, L.; Martynov, A.; Medvedev, S.; Troyon, F.; Villard, L.

    1996-01-01

    Large pressure gradients and current density at the plasma edge and accompanying edge-localized MHD instabilities are typical for H-mode discharges. Low-n external kink modes are a possible cause of the instabilities. The paper mostly deals with external kink modes driven by a finite current density at the plasma boundary (so called peeling modes). It was shown earlier that for a single axis plasma embedded into vacuum the peeling modes are stabilized when separatrix is approaching the plasma boundary. For doublet configurations a finite current density at the internal separatrix does not necessarily lead to external kink instability when the current density vanishes at the boundary. However, a finite current density at the plasma boundary outside the separatrix can drive outer peeling modes. The stability properties and structure of these modes depend on the plasma equilibrium outside the separatrix. The influence of plasma shear and pressure gradient at the boundary on the stability of the outer peeling modes in doublets is studied. The stability of kink modes in divertor configurations with plasma outside the separatrix is very sensitive to the boundary conditions set at open field lines. The choice of the boundary conditions and kink mode stability calculations for the divertor configurations are discussed. (author) 4 figs., 5 refs

  10. Surface impedance and optimum surface resistance of a superconductor with an imperfect surface

    Science.gov (United States)

    Gurevich, Alex; Kubo, Takayuki

    2017-11-01

    We calculate a low-frequency surface impedance of a dirty, s -wave superconductor with an imperfect surface incorporating either a thin layer with a reduced pairing constant or a thin, proximity-coupled normal layer. Such structures model realistic surfaces of superconducting materials which can contain oxide layers, absorbed impurities, or nonstoichiometric composition. We solved the Usadel equations self-consistently and obtained spatial distributions of the order parameter and the quasiparticle density of states which then were used to calculate a low-frequency surface resistance Rs(T ) and the magnetic penetration depth λ (T ) as functions of temperature in the limit of local London electrodynamics. It is shown that the imperfect surface in a single-band s -wave superconductor results in a nonexponential temperature dependence of Z (T ) at T ≪Tc which can mimic the behavior of multiband or d -wave superconductors. The imperfect surface and the broadening of the gap peaks in the quasiparticle density of states N (ɛ ) in the bulk give rise to a weakly temperature-dependent residual surface resistance. We show that the surface resistance can be optimized and even reduced below its value for an ideal surface by engineering N (ɛ ) at the surface using pair-breaking mechanisms, particularly by incorporating a small density of magnetic impurities or by tuning the thickness and conductivity of the normal layer and its contact resistance. The results of this work address the limit of Rs in superconductors at T ≪Tc , and the ways of engineering the optimal density of states by surface nanostructuring and impurities to reduce losses in superconducting microresonators, thin-film strip lines, and radio-frequency cavities for particle accelerators.

  11. Measurement and study of density, surface tension, and viscosity of quaternary ammonium-based ionic liquids ([N222(n)]Tf2N)

    International Nuclear Information System (INIS)

    Ghatee, Mohammad Hadi; Bahrami, Maryam; Khanjari, Neda

    2013-01-01

    Highlights: • Characterization of high purity synthesized alkyl quaternary ammonium ionic liquids. • Measurement of temperature dependent surface tension, density, viscosity and critical point. • Systematic increase of surface energy and surface entropy having plateau at high chain length. • Accurate application of VFT and fluidity equations to temperature dependent viscosities. • Particular variation of fluidity exponent with a plateau at high alkyl chain length. -- Abstract: In this work five quaternary ammonium-based ionic liquids with bis(trifluoromethylsulfonyl)imide anion were synthesized and their density, viscosity and surface tensions were measured in the temperature range (298 to 373) K. Surface tensions were measured by capillary rise method using a homemade capillary apparatus, in which the liquid/vapor can be brought into equilibrium practically. Measurements of viscosities and surface tensions were performed under water–vapor free atmosphere. The surface tension of quaternary ammonium-based ILs decreases as the alkyl chain length increases. Also surface energy and surface entropy are found as increasing functions of alkyl chain length with a plateau at high lengths in the surface. The viscosities measured by capillary viscometer fit in VFT equation, indication of non-Arrhenius ionic liquids. Viscosities are also fitted quite accurately in the relation we have developed recently as the fluidity equation with the characteristics exponent ϕ. Values of ϕ for ionic liquids are close to one another and tend to the limiting value, almost 0.328, asymptotically as the alkyl chain length increases. The critical temperatures predicted via the temperature dependent surface tensions decrease with increasing alkyl chain length of the cation. The trend of predicted critical temperature of these ionic liquids conforms to those of imidazolium-based ILs

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

    Science.gov (United States)

    Iwasa, Kenjiro; Reddi, A Hari

    2017-07-01

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

  13. Calculation of the flux density of gamma rays above the surface of Venus and the Earth

    International Nuclear Information System (INIS)

    Surkov, Yu.A.; Manvelyan, O.S.

    1987-01-01

    In this article the authors present the results of calculating the flux density of unscattered gamma rays as a function of height above the surfaces of Venus and the Earth. At each height they calculate the areas which will collect a certain fraction of the gamma rays. The authors calculate the spectra of scattered gamma rays, as well as their integrated fluxes at various heights above the surface of Venus. They consider how the atmosphere will affect the recording of gamma rays. Their results enable them to evaluate the optimal conditions for measuring the gamma-ray fields above the surfaces of Venus and the Earth and to determine the area of the planet which can be investigated in this way. These results are also necessary if they are to determine the elemental composition of the rock from the characteristic recorded spectrum of gamma radiation

  14. Dynamics of two-phase interfaces and surface tensions: A density-functional theory perspective

    Science.gov (United States)

    Yatsyshin, Petr; Sibley, David N.; Duran-Olivencia, Miguel A.; Kalliadasis, Serafim

    2016-11-01

    Classical density functional theory (DFT) is a statistical mechanical framework for the description of fluids at the nanoscale, where the inhomogeneity of the fluid structure needs to be carefully accounted for. By expressing the grand free-energy of the fluid as a functional of the one-body density, DFT offers a theoretically consistent and computationally accessible way to obtain two-phase interfaces and respective interfacial tensions in a ternary solid-liquid-gas system. The dynamic version of DFT (DDFT) can be rigorously derived from the Smoluchowsky picture of the dynamics of colloidal particles in a solvent. It is generally agreed that DDFT can capture the diffusion-driven evolution of many soft-matter systems. In this context, we use DDFT to investigate the dynamic behaviour of two-phase interfaces in both equilibrium and dynamic wetting and discuss the possibility of defining a time-dependent surface tension, which still remains in debate. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031 and from the Engineering and Physical Sciences Research Council of the UK via Grants No. EP/L027186 and EP/L020564.

  15. Bolometer tomography at the density limit of the HDH mode in the W7-AS stellarator

    International Nuclear Information System (INIS)

    Giannone, L; Brakel, R; Burhenn, R; Ehmler, H; Feng, Y; Grigull, P; McCormick, K; Wagner, F; Baldzuhn, J; Igitkhanov, Y; Knauer, J; Nishimura, K; Pasch, E; Peterson, B J; Ramasubramanian, N; Rust, N; Weller, A; Werner, A

    2003-01-01

    The installation of divertor plates in the W7-AS stellarator has allowed attainment of a high energy confinement regime at high density, where the radiation profiles reached steady state. In this regime, the radial profile of the radiated power is hollow. Raising the density to the point where the radiated power approached the input power led to plasma detachment and a decrease in diamagnetic energy. This defines the density limit in a stellarator and a scaling law for this maximum density can be heuristically derived on the basis of power balance considerations. The installation of two bolometer cameras away from the divertor plates and three bolometer cameras in the vicinity of the divertor plates has provided insight into the features of high density operation of a divertor in a stellarator. In the main chamber, tomographic inversion at the density limit has shown that a poloidally asymmetric radiation profile developed as the density limit was approached. In the divertor, radiation in front of the divertor plates occurred while the plasma was attached and this radiation zone vanished at plasma detachment. Steady state discharges of up to 1.5 s have been achieved for neutral beam injection power of up to 2 MW. A precursor to a spontaneous transition out of the high confinement regime has been identified

  16. Asymptotic variance of grey-scale surface area estimators

    DEFF Research Database (Denmark)

    Svane, Anne Marie

    Grey-scale local algorithms have been suggested as a fast way of estimating surface area from grey-scale digital images. Their asymptotic mean has already been described. In this paper, the asymptotic behaviour of the variance is studied in isotropic and sufficiently smooth settings, resulting...... in a general asymptotic bound. For compact convex sets with nowhere vanishing Gaussian curvature, the asymptotics can be described more explicitly. As in the case of volume estimators, the variance is decomposed into a lattice sum and an oscillating term of at most the same magnitude....

  17. Surface charge algebra in gauge theories and thermodynamic integrability

    International Nuclear Information System (INIS)

    Barnich, Glenn; Compere, Geoffrey

    2008-01-01

    Surface charges and their algebra in interacting Lagrangian gauge field theories are constructed out of the underlying linearized theory using techniques from the variational calculus. In the case of exact solutions and symmetries, the surface charges are interpreted as a Pfaff system. Integrability is governed by Frobenius' theorem and the charges associated with the derived symmetry algebra are shown to vanish. In the asymptotic context, we provide a generalized covariant derivation of the result that the representation of the asymptotic symmetry algebra through charges may be centrally extended. Comparison with Hamiltonian and covariant phase space methods is made. All approaches are shown to agree for exact solutions and symmetries while there are differences in the asymptotic context

  18. Mannose-decorated cyclodextrin vesicles: The interplay of multivalency and surface density in lectin–carbohydrate recognition

    Directory of Open Access Journals (Sweden)

    Ulrike Kauscher

    2012-09-01

    Full Text Available Cyclodextrin vesicles are versatile models for biological cell membranes since they provide a bilayer membrane that can easily be modified by host–guest interactions with functional guest molecules. In this article, we investigate the multivalent interaction of the lectin concanavalin A (ConA with cyclodextrin vesicles decorated with mannose–adamantane conjugates with one, two or three adamantane units as well as one or two mannose units. The carbohydrate–lectin interaction in this artificial, self-assembled glycocalyx was monitored in an agglutination assay by the increase of optical density at 400 nm. It was found that there is a close relation between the carbohydrate density at the cyclodextrin vesicle surface and the multivalent interaction with ConA, and the most efficient interaction (i.e., fastest agglutination at lowest concentration was observed for mannose–adamantane conjugates, in which both the cyclodextrin–adamantane and the lectin–mannose interaction is inherently multivalent.

  19. Strong orientation dependence of surface mass density profiles of dark haloes at large scales

    Science.gov (United States)

    Osato, Ken; Nishimichi, Takahiro; Oguri, Masamune; Takada, Masahiro; Okumura, Teppei

    2018-06-01

    We study the dependence of surface mass density profiles, which can be directly measured by weak gravitational lensing, on the orientation of haloes with respect to the line-of-sight direction, using a suite of N-body simulations. We find that, when major axes of haloes are aligned with the line-of-sight direction, surface mass density profiles have higher amplitudes than those averaged over all halo orientations, over all scales from 0.1 to 100 Mpc h-1 we studied. While the orientation dependence at small scales is ascribed to the halo triaxiality, our results indicate even stronger orientation dependence in the so-called two-halo regime, up to 100 Mpc h-1. The orientation dependence for the two-halo term is well approximated by a multiplicative shift of the amplitude and therefore a shift in the halo bias parameter value. The halo bias from the two-halo term can be overestimated or underestimated by up to {˜ } 30 per cent depending on the viewing angle, which translates into the bias in estimated halo masses by up to a factor of 2 from halo bias measurements. The orientation dependence at large scales originates from the anisotropic halo-matter correlation function, which has an elliptical shape with the axis ratio of ˜0.55 up to 100 Mpc h-1. We discuss potential impacts of halo orientation bias on other observables such as optically selected cluster samples and a clustering analysis of large-scale structure tracers such as quasars.

  20. Biharmonic split ring resonator metamaterial: Artificially dispersive effective density in thin periodically perforated plates

    KAUST Repository

    Farhat, Mohamed

    2014-08-01

    We present in this paper a theoretical and numerical analysis of bending waves localized on the boundary of a platonic crystal whose building blocks are Split Ring Resonators (SRR). We first derive the homogenized parameters of the structured plate using a three-scale asymptotic expansion in the linearized biharmonic equation. In the limit when the wavelength of the bending wave is much larger than the typical heterogeneity size of the platonic crystal, we show that it behaves as an artificial plate with an anisotropic effective Young modulus and a dispersive effective mass density. We then analyze dispersion diagrams associated with bending waves propagating within an infinite array of SRR, for which eigen-solutions are sought in the form of Floquet-Bloch waves. We finally demonstrate that this structure displays the hallmarks of All-Angle Negative Refraction (AANR) and it leads to superlensing and ultrarefraction effects, interpreted thanks to our homogenization model as a consequence of negative and vanishing effective density, respectively. © EPLA, 2014.

  1. Biharmonic split ring resonator metamaterial: Artificially dispersive effective density in thin periodically perforated plates

    KAUST Repository

    Farhat, Mohamed; Enoch, Stefan; Guenneau, Sé bastien

    2014-01-01

    We present in this paper a theoretical and numerical analysis of bending waves localized on the boundary of a platonic crystal whose building blocks are Split Ring Resonators (SRR). We first derive the homogenized parameters of the structured plate using a three-scale asymptotic expansion in the linearized biharmonic equation. In the limit when the wavelength of the bending wave is much larger than the typical heterogeneity size of the platonic crystal, we show that it behaves as an artificial plate with an anisotropic effective Young modulus and a dispersive effective mass density. We then analyze dispersion diagrams associated with bending waves propagating within an infinite array of SRR, for which eigen-solutions are sought in the form of Floquet-Bloch waves. We finally demonstrate that this structure displays the hallmarks of All-Angle Negative Refraction (AANR) and it leads to superlensing and ultrarefraction effects, interpreted thanks to our homogenization model as a consequence of negative and vanishing effective density, respectively. © EPLA, 2014.

  2. Density functional theory study of chemical sensing on surfaces of single-layer MoS2 and graphene

    International Nuclear Information System (INIS)

    Mehmood, F.; Pachter, R.

    2014-01-01

    In this work, density functional theory (DFT) calculations have been used to investigate chemical sensing on surfaces of single-layer MoS 2 and graphene, considering the adsorption of the chemical compounds triethylamine, acetone, tetrahydrofuran, methanol, 2,4,6-trinitrotoluene, o-nitrotoluene, o-dichlorobenzene, and 1,5-dicholoropentane. Physisorption of the adsorbates on free-standing surfaces was analyzed in detail for optimized material structures, considering various possible adsorption sites. Similar adsorption characteristics for the two surface types were demonstrated, where inclusion of a correction to the DFT functional for London dispersion was shown to be important to capture interactions at the interface of molecular adsorbate and surface. Charge transfer analyses for adsorbed free-standing surfaces generally demonstrated very small effects. However, charge transfer upon inclusion of the underlying SiO 2 substrate rationalized experimental observations for some of the adsorbates considered. A larger intrinsic response for the electron-donor triethylamine adsorbed on MoS 2 as compared to graphene was demonstrated, which may assist in devising chemical sensors for improved sensitivity

  3. Vanishing of local non-Gaussianity in canonical single field inflation

    Science.gov (United States)

    Bravo, Rafael; Mooij, Sander; Palma, Gonzalo A.; Pradenas, Bastián

    2018-05-01

    We study the production of observable primordial local non-Gaussianity in two opposite regimes of canonical single field inflation: attractor (standard single field slow-roll inflation) and non attractor (ultra slow-roll inflation). In the attractor regime, the standard derivation of the bispectrum's squeezed limit using co-moving coordinates gives the well known Maldacena's consistency relation fNL = 5 (1‑ns) / 12. On the other hand, in the non-attractor regime, the squeezed limit offers a substantial violation of this relation given by fNL = 5/2. In this work we argue that, independently of whether inflation is attractor or non-attractor, the size of the observable primordial local non-Gaussianity is predicted to be fNLobs = 0 (a result that was already understood to hold in the case of attractor models). To show this, we follow the use of the so-called Conformal Fermi Coordinates (CFC), recently introduced in the literature. These coordinates parametrize the local environment of inertial observers in a perturbed FRW spacetime, allowing one to identify and compute gauge invariant quantities, such as n-point correlation functions. Concretely, we find that during inflation, after all the modes have exited the horizon, the squeezed limit of the 3-point correlation function of curvature perturbations vanishes in the CFC frame, regardless of the inflationary regime. We argue that such a cancellation should persist after inflation ends.

  4. Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

    International Nuclear Information System (INIS)

    Rekik, Najeh

    2014-01-01

    Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

  5. Constraining self-interacting dark matter with scaling laws of observed halo surface densities

    Science.gov (United States)

    Bondarenko, Kyrylo; Boyarsky, Alexey; Bringmann, Torsten; Sokolenko, Anastasia

    2018-04-01

    The observed surface densities of dark matter halos are known to follow a simple scaling law, ranging from dwarf galaxies to galaxy clusters, with a weak dependence on their virial mass. Here we point out that this can not only be used to provide a method to determine the standard relation between halo mass and concentration, but also to use large samples of objects in order to place constraints on dark matter self-interactions that can be more robust than constraints derived from individual objects. We demonstrate our method by considering a sample of about 50 objects distributed across the whole halo mass range, and by modelling the effect of self-interactions in a way similar to what has been previously done in the literature. Using additional input from simulations then results in a constraint on the self-interaction cross section per unit dark matter mass of about σ/mχlesssim 0.3 cm2/g. We expect that these constraints can be significantly improved in the future, and made more robust, by i) an improved modelling of the effect of self-interactions, both theoretical and by comparison with simulations, ii) taking into account a larger sample of objects and iii) by reducing the currently still relatively large uncertainties that we conservatively assign to the surface densities of individual objects. The latter can be achieved in particular by using kinematic observations to directly constrain the average halo mass inside a given radius, rather than fitting the data to a pre-selected profile and then reconstruct the mass. For a velocity-independent cross-section, our current result is formally already somewhat smaller than the range 0.5‑5 cm2/g that has been invoked to explain potential inconsistencies between small-scale observations and expectations in the standard collisionless cold dark matter paradigm.

  6. Angiomatosis of bone and soft tissue: A spectrum of disease from diffuse lymphangiomatosis to vanishing bone disease in young patients

    International Nuclear Information System (INIS)

    Aviv, R.I.; McHugh, K.; Hunt, J.

    2001-01-01

    The application of cross-sectional imaging in the investigation of patients with angiomatosis reveals that lymphangiomatosis and vanishing bone disease should not be considered as separate entities, but rather as a spectrum of disease. We present a pictorial review of eight patients demonstrating the manifestations of soft tissue and bony involvement. We highlight a subgroup of patients with chyloid pleural effusions who have a poor prognosis. Aviv, R. I. et al. (2001)

  7. The unified approach to integrable relativistic equations: Soliton solutions over non-vanishing backgrounds - 1

    International Nuclear Information System (INIS)

    Barashenkov, I.V.; Getmanov, B.S.; Kovtun, V.E.

    1992-01-01

    The scheme for unified description of integrable relativistic massive systems provides an inverse scattering formalism that covers universally all (1+1)- dimensional systems of this kind. In this work we construct the N-soliton solution (over an arbitrary background) for some generic system which is associated with the sl(2,C) case of the scheme and whose reductions include the complex sine-Gordon equation, the massive Thirring model and other equations, both in the Euclidean and Minkowski spaces. Thus the N-soliton solutions for all these systems emerge in a unified form differing only in the type of constraints imposed on their parameters. In an earlier paper the case of the zero background was considered while here we concentrate on the case of the non-vanishing constant background i.e., on the N-kink solutions. (author). 18 refs

  8. Compact complex surfaces with geometric structures related to split quaternions

    International Nuclear Information System (INIS)

    Davidov, Johann; Grantcharov, Gueo; Mushkarov, Oleg; Yotov, Miroslav

    2012-01-01

    We study the problem of existence of geometric structures on compact complex surfaces that are related to split quaternions. These structures, called para-hypercomplex, para-hyperhermitian and para-hyperkähler, are analogs of the hypercomplex, hyperhermitian and hyperkähler structures in the definite case. We show that a compact 4-manifold carries a para-hyperkähler structure iff it has a metric of split signature together with two parallel, null, orthogonal, pointwise linearly independent vector fields. Every compact complex surface admitting a para-hyperhermitian structure has vanishing first Chern class and we show that, unlike the definite case, many of these surfaces carry infinite-dimensional families of such structures. We provide also compact examples of complex surfaces with para-hyperhermitian structures which are not locally conformally para-hyperkähler. Finally, we discuss the problem of non-existence of para-hyperhermitian structures on Inoue surfaces of type S 0 and provide a list of compact complex surfaces which could carry para-hypercomplex structures.

  9. A grafting from approach to graft polystyrene chains at the surface of graphene nanolayers by RAFT polymerization: Various graft densities from hydroxyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Roghani-Mamaqani, Hossein, E-mail: r.mamaghani@sut.ac.ir [Department of Polymer Engineering, Sahand University of Technology, PO Box 51335-1996, Tabriz (Iran, Islamic Republic of); Khezri, Khezrollah [School of Chemistry, University College of Science, University of Tehran, PO Box 14155-6455, Tehran (Iran, Islamic Republic of)

    2016-01-01

    Graphical abstract: (3-Aminopropyl) triethoxysilane was grafted at the surface of GO in low and high different graft densities to yield GOHAL and GOHAH, respectively. Subsequently, 2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid (RA) was attached at the surface of GOHAL and GOHAH by an amidation reaction to yield GOHRL and GOHRH, respectively. Then, GOHRL and GOHRH were used in grafting from RAFT polymerization of styrene. - Highlights: • A RAFT agent grafted GO was used in grafting from RAFT polymerization of styrene. • The efficiency of RAFT agent attachment at the surface of GO is 41.12% for high density sample. • Polystyrene molecular weight is decreased by the addition of graphene content and also graft density of RAFT agent. - Abstract: (3-Aminopropyl) triethoxysilane was grafted at the surface of GO in low and high different graft densities to yield GOHAL and GOHAH, respectively. Subsequently, 2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid (RA) was attached at the surface of GOHAL and GOHAH by an amidation reaction to yield GOHRL and GOHRH, respectively. Then, GOHRL and GOHRH were used in grafting from RAFT polymerization of styrene. Grafting of APTES and RA was approved by Fourier transform infrared spectroscopy, X-ray photo electron spectroscopy, and Raman spectroscopy. Expansion of graphene interlayer by oxidation and functionalization processes was evaluated by X-ray diffraction. Conversion values of styrene were calculated using gas chromatography. Molecular weight and PDI values of attached polystyrene (PS) chains were studied by size exclusion chromatography. Thermogravimetric analysis was also used to investigate the degradation temperatures, char contents, and graft contents of modifiers and PS chains. GOHRH and GOHRL reach to char content of 55.3 and 45.2% at 600 °C, which shows that weight ratio of modifier (APTES and RA moieties) is 15.3 and 5.2%, respectively. Scanning and transmission electron microscopies show that

  10. Adsorption and oxidation of oxalic acid on anatase TiO2 (001) surface: A density functional theory study.

    Science.gov (United States)

    Sun, Tao; Wang, Yun; Zhang, Haimin; Liu, Porun; Zhao, Huijun

    2015-09-15

    Anatase TiO2 (001) surfaces have attracted great interest for photo-degradation of organic species recently due to their high reactivity. In this work, adsorption properties and oxidation mechanisms of oxalic acid on the anatase TiO2 (001) surface have been theoretically investigated using the first-principles density functional theory. Various possible adsorption configurations are considered by diversifying the connectivity of carboxylic groups with the surface. It is found that the adsorption of oxalic acid on the anatase (001) surface prefer the dissociative states. A novel double-bidentate configuration has been found due to the structural match between oxalic acid and the (001) surface. More charge is transferred from the adsorbed oxalic acid to the surface with the double-bidentate configuration when comparing with other adsorption structures. Thus, there is a positive correlation relationship between the transferred charge amount and the interfacial bond numbers when oxalic acid adsorbs on the anatase TiO2 (001) surface. The adsorption energies with dispersion corrections have demonstrated that the van der Waals interactions play an important role in the adsorption, especially when adsorbates are close to the surface. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Qualitative assessment of bone density at the distal articulating surface of the third metacarpal in Thoroughbred racehorses with and without condylar fracture.

    Science.gov (United States)

    Loughridge, A B; Hess, A M; Parkin, T D; Kawcak, C E

    2017-03-01

    Changes in subchondral bone density, induced by the repetitive cyclical loading of exercise, may potentiate fatigue damage and the risk of fracture. To use computed tomography (CT) to characterise bone density patterns at the articular surface of the third metacarpal bone in racehorses with and without lateral condylar fractures. Case control METHODS: Computed tomographic images of the distal articulating surface of the third metacarpal bone were obtained from Thoroughbred racehorses subjected to euthanasia in the UK. Third metacarpal bones were divided into 3 groups based on lateral condyle status; fractured (FX, n = 42), nonfractured contralateral condyle (NFX, n = 42) and control condyles from horses subjected to euthanasia for reasons unrelated to the third metacarpal bone (control, n = 94). Colour CT images were generated whereby each colour represented a range of pixel values and thus a relative range of bone density. A density value was calculated qualitatively by estimating the percentage of each colour within a specific region. Subchondral bone density was assessed in 6 regions from dorsal to palmar and 1 mm medial and lateral to the centre of the lateral parasagittal groove in NFX and control condyles and 1 mm medial and lateral to the fracture in FX condyles. Bone density was significantly higher in the FX and NFX condyles compared with control condyles for all 6 regions. A significantly higher bone density was observed in FX condyles relative to NFX condyles in the lateral middle and lateral palmar regions. Fractured condyles had increased heterogeneity in density among the 6 regions of interest compared with control and NFX condyles. Adjacent to the fracture, a focal increase in bone density and increased heterogeneity of density were characteristic of limbs with lateral condylar fractures compared with control and NFX condyles. These differences may represent pathological changes in bone density that increase the risk for lateral condylar fractures in

  12. Poloidal density variation of impurities in a rotating tokamak plasma - flux surface coordinates and effect on transport coefficients

    International Nuclear Information System (INIS)

    Romanelli, M.

    1999-09-01

    The poloidal variation of impurity densities over magnetic surfaces brings about an enhancement of neoclassical transport coefficients, as shown by Romanelli and Ottaviani for impurities in the Pfirsch Schlueter regime and by Helander for particles in the banana-plateau regime, both in a large aspect ratio tokamak. The same effect will occur in a finite aspect ratio tokamak and therefore it is considered to be relevant for inclusion in transport codes for comparison with the experimental measurements of impurity transport. Here an expression for the impurity-density poloidal-variation generated by the fast toroidal rotation of the plasma column is presented in general coordinates. (author)

  13. Effect of surface wettability caused by radiation induced surface activation on leidenfrost condition

    International Nuclear Information System (INIS)

    Takamasa, T.; Hazuku, T.; Tamura, N.; Okamoto, K.; Mishima, K.; Furuya, M.

    2003-01-01

    Improving the limit of boiling heat transfer or critical heat flux requires that the cooling liquid can contact the heating surface, or a high-wettability, highly hydrophilic heating surface, even if a vapor bubble layer is generated on the surface. From this basis, we investigated surface wettability and Leidenfrost condition using metal oxides irradiated by γ-rays. In our previous study, contact angle, an indicator of macroscopic wettability, of a water droplet on metal oxide at room temperature was measured by image processing of the images obtained by a CCD video camera. The results showed that the surface wettability on metal oxide pieces of titanium, Zircaloy No. 4, SUS-304, and copper was improved significantly by the Radiation Induced Surface Activation (RISA) phenomenon. To delineate the effect of Radiation Induced Surface Activation (RISA) on heat transferring phenomena, the Leidenfrost condition and quenching of metal oxides irradiated by γ-rays were investigated. In the Leidenfrost experiment, when the temperature of the heating surface reached the wetting limit temperature, water-solid contact vanished because a stable vapor film existed between the droplet and the metal surface; i.e., a Leidenfrost condition obtained. The wetting limit temperature increased with integrated irradiation dose. After irradiation, the wet length and the duration of contact increased, and the contact angle decreased. In the quenching test, high surface wettability, or a highly hydrophilic condition, of a simulated fuel rod made of SUS was achieved, and the quenching velocities were increased up to 20-30% after 300 kGy 60Co γ-ray irradiation

  14. Effect of surface wettability caused by radiation induced surface activation on leidenfrost condition

    Energy Technology Data Exchange (ETDEWEB)

    Takamasa, T.; Hazuku, T.; Tamura, N.; Okamoto, K. [Tokyo Univ., Tokyo (Japan); Mishima, K. [Kyoto Univ., Kyoto (Japan); Furuya, M. [Central Research Institute of Electric Power Industry, Tokyo (Japan)

    2003-07-01

    Improving the limit of boiling heat transfer or critical heat flux requires that the cooling liquid can contact the heating surface, or a high-wettability, highly hydrophilic heating surface, even if a vapor bubble layer is generated on the surface. From this basis, we investigated surface wettability and Leidenfrost condition using metal oxides irradiated by {gamma}-rays. In our previous study, contact angle, an indicator of macroscopic wettability, of a water droplet on metal oxide at room temperature was measured by image processing of the images obtained by a CCD video camera. The results showed that the surface wettability on metal oxide pieces of titanium, Zircaloy No. 4, SUS-304, and copper was improved significantly by the Radiation Induced Surface Activation (RISA) phenomenon. To delineate the effect of Radiation Induced Surface Activation (RISA) on heat transferring phenomena, the Leidenfrost condition and quenching of metal oxides irradiated by {gamma}-rays were investigated. In the Leidenfrost experiment, when the temperature of the heating surface reached the wetting limit temperature, water-solid contact vanished because a stable vapor film existed between the droplet and the metal surface; i.e., a Leidenfrost condition obtained. The wetting limit temperature increased with integrated irradiation dose. After irradiation, the wet length and the duration of contact increased, and the contact angle decreased. In the quenching test, high surface wettability, or a highly hydrophilic condition, of a simulated fuel rod made of SUS was achieved, and the quenching velocities were increased up to 20-30% after 300 kGy 60Co {gamma}-ray irradiation.

  15. Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

    Science.gov (United States)

    Qin, Dan; Ge, Xu-Jin; Lü, Jing-Tao

    2018-05-01

    Through density functional theory based calculations, we study the adsorption and diffusion of tin phthalocyanine (SnPc) molecule on Au(111) and Cu(111) surfaces. SnPc has two conformers with Sn pointing to the vacuum (Sn-up) and substrate (Sn-down), respectively. The binding energies of the two conformers with different adsorption sites on the two surfaces, including top, bridge, fcc, hcp, are calculated and compared. It is found that the SnPc molecule binds stronger on Cu(111) surface, with binding energy about 1 eV larger than that on Au(111). Only the bridge and top adsorption sites are stable on Cu(111), while all the four adsorption sites are stable on Au(111), with small diffusion barriers between them. Moreover, the flipping barrier from Sn-up to Sn-down conformer is of the same magnitude on the two metal surfaces. These results are consistent with a recent experiment [Zhang, et al., Angew. Chem., 56, 11769 (2017)], which shows that conformation change from Sn-up to Sn-down on Cu(111) surface can be induced by a C60-functionalized STM tip, while similar change is difficult to realize on Au(111), due to smaller diffusion barrier on Au(111).

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

    Directory of Open Access Journals (Sweden)

    H. Beydoun

    2016-10-01

    Full Text Available Heterogeneous ice nucleation remains one of the outstanding problems in cloud physics and atmospheric science. Experimental challenges in properly simulating particle-induced freezing processes under atmospherically relevant conditions have largely contributed to the absence of a well-established parameterization of immersion freezing properties. Here, we formulate an ice active, surface-site-based stochastic model of heterogeneous freezing with the unique feature of invoking a continuum assumption on the ice nucleating activity (contact angle of an aerosol particle's surface that requires no assumptions about the size or number of active sites. The result is a particle-specific property g that defines a distribution of local ice nucleation rates. Upon integration, this yields a full freezing probability function for an ice nucleating particle. Current cold plate droplet freezing measurements provide a valuable and inexpensive resource for studying the freezing properties of many atmospheric aerosol systems. We apply our g framework to explain the observed dependence of the freezing temperature of droplets in a cold plate on the concentration of the particle species investigated. Normalizing to the total particle mass or surface area present to derive the commonly used ice nuclei active surface (INAS density (ns often cannot account for the effects of particle concentration, yet concentration is typically varied to span a wider measurable freezing temperature range. A method based on determining what is denoted an ice nucleating species' specific critical surface area is presented and explains the concentration dependence as a result of increasing the variability in ice nucleating active sites between droplets. By applying this method to experimental droplet freezing data from four different systems, we demonstrate its ability to interpret immersion freezing temperature spectra of droplets containing variable particle concentrations. It is shown

  17. Real time estimation of generation, extinction and flow of muscle fibre action potentials in high density surface EMG.

    Science.gov (United States)

    Mesin, Luca

    2015-02-01

    Developing a real time method to estimate generation, extinction and propagation of muscle fibre action potentials from bi-dimensional and high density surface electromyogram (EMG). A multi-frame generalization of an optical flow technique including a source term is considered. A model describing generation, extinction and propagation of action potentials is fit to epochs of surface EMG. The algorithm is tested on simulations of high density surface EMG (inter-electrode distance equal to 5mm) from finite length fibres generated using a multi-layer volume conductor model. The flow and source term estimated from interference EMG reflect the anatomy of the muscle, i.e. the direction of the fibres (2° of average estimation error) and the positions of innervation zone and tendons under the electrode grid (mean errors of about 1 and 2mm, respectively). The global conduction velocity of the action potentials from motor units under the detection system is also obtained from the estimated flow. The processing time is about 1 ms per channel for an epoch of EMG of duration 150 ms. A new real time image processing algorithm is proposed to investigate muscle anatomy and activity. Potential applications are proposed in prosthesis control, automatic detection of optimal channels for EMG index extraction and biofeedback. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Hydrodeoxygenation of Phenol to Benzene and Cyclohexane on Rh(111) and Rh(211) Surfaces: Insights from Density Functional Theory

    DEFF Research Database (Denmark)

    Garcia-Pintos, Delfina; Voss, Johannes; Jensen, Anker Degn

    2016-01-01

    Herein we describe the C-O cleavage of phenol and cyclohexanol over Rh (111) and Rh (211) surfaces using density functional theory calculations. Our analysis is complemented by a microkinetic model of the reactions, which indicates that the C-O bond cleavage of cyclohexanol is easier than that of...

  19. Adsorption and ring-opening of lactide on the chiral metal surface Pt(321){sup S} studied by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Franke, J.-H.; Kosov, D. S. [Department of Physics, Campus Plaine - CP 231, Universite Libre de Bruxelles, 1050 Brussels (Belgium)

    2015-01-28

    We study the adsorption and ring-opening of lactide on the naturally chiral metal surface Pt(321){sup S}. Lactide is a precursor for polylactic acid ring-opening polymerization, and Pt is a well known catalyst surface. We study, here, the energetics of the ring-opening of lactide on a surface that has a high density of kink atoms. These sites are expected to be present on a realistic Pt surface and show enhanced catalytic activity. The use of a naturally chiral surface also enables us to study potential chiral selectivity effects of the reaction at the same time. Using density functional theory with a functional that includes the van der Waals forces in a first-principles manner, we find modest adsorption energies of around 1.4 eV for the pristine molecule and different ring-opened states. The energy barrier to be overcome in the ring-opening reaction is found to be very small at 0.32 eV and 0.30 eV for LL- and its chiral partner DD-lactide, respectively. These energies are much smaller than the activation energy for a dehydrogenation reaction of 0.78 eV. Our results thus indicate that (a) ring-opening reactions of lactide on Pt(321) can be expected already at very low temperatures, and Pt might be a very effective catalyst for this reaction; (b) the ring-opening reaction rate shows noticeable enantioselectivity.

  20. Turbulence closure: turbulence, waves and the wave-turbulence transition – Part 1: Vanishing mean shear

    Directory of Open Access Journals (Sweden)

    H. Z. Baumert

    2009-03-01

    Full Text Available This paper extends a turbulence closure-like model for stably stratified flows into a new dynamic domain in which turbulence is generated by internal gravity waves rather than mean shear. The model turbulent kinetic energy (TKE, K balance, its first equation, incorporates a term for the energy transfer from internal waves to turbulence. This energy source is in addition to the traditional shear production. The second variable of the new two-equation model is the turbulent enstrophy (Ω. Compared to the traditional shear-only case, the Ω-equation is modified to account for the effect of the waves on the turbulence time and space scales. This modification is based on the assumption of a non-zero constant flux Richardson number in the limit of vanishing mean shear when turbulence is produced exclusively by internal waves. This paper is part 1 of a continuing theoretical development. It accounts for mean shear- and internal wave-driven mixing only in the two limits of mean shear and no waves and waves but no mean shear, respectively.

    The new model reproduces the wave-turbulence transition analyzed by D'Asaro and Lien (2000b. At small energy density E of the internal wave field, the turbulent dissipation rate (ε scales like ε~E2. This is what is observed in the deep sea. With increasing E, after the wave-turbulence transition has been passed, the scaling changes to ε~E1. This is observed, for example, in the highly energetic tidal flow near a sill in Knight Inlet. The new model further exhibits a turbulent length scale proportional to the Ozmidov scale, as observed in the ocean, and predicts the ratio between the turbulent Thorpe and Ozmidov length scales well within the range observed in the ocean.

  1. Remarks on a Class of Nonlinear Schrödinger Equations with Potential Vanishing at Infinity

    Directory of Open Access Journals (Sweden)

    Hongbo Zhu

    2013-01-01

    Full Text Available We study the following nonlinear Schrödinger equation −Δu+V(xu=K(xf(u,  x∈ℝN,  u∈H1(ℝN, where the potential V(x vanishes at infinity. Working in weighted Sobolev space, we obtain the ground states of problem ( under a Nahari type condition. Furthermore, if V(x,K(x are radically symmetric with respect to x∈ℝN, it is shown that problem ( has a positive solution with some more general growth conditions of the nonlinearity. Particularly, if f(u=up, then the growth restriction σ≤p≤N+2/N-2 in Ambrosetti et al. (2005 can be relaxed to σ~≤p≤N+2/N-2, where σ~<σ if 0<β<α<2.

  2. Vanishing honey bees: Is the dying of adult worker bees a consequence of short telomeres and premature aging?

    Science.gov (United States)

    Stindl, Reinhard; Stindl, Wolfgang

    2010-10-01

    Einstein is often quoted to have said that without the bee, mankind would have but 4years to live. It is highly unlikely that he made this comment, which was even mentioned in a Lancet article on honey bees. However, the current vanishing of the bees can have serious consequences for human health, because 35% of the human diet is thought to benefit from pollination. Colony collapse disorder (CCD) in honey bees is characterized by the rapid decline of the adult bee population, leaving the brood and the queen poorly or completely unattended, with no dead bodies in or around the hive. A large study found no evidence that the presence or amount of any individual pesticide or infectious agent occurred more frequently or abundantly in CCD-affected colonies. The growing consensus is that honey bees are suffering from comprised immune systems, which allow various infectious pathogens to invade. The question remains, what causes immunosuppression in many colonies of Apis mellifera in North America and Europe? Telomeres are protective DNA structures located at eukaryotic chromosome tips that shorten in the somatic tissues of animals with age. Lifelong tissue regeneration takes place in Apis mellifera, and worker bees have been shown to senesce. In humans, a vast amount of literature has accumulated on exhausted telomere reserves causing impaired tissue regeneration and age-associated diseases, specifically cancer and immunosuppression. Therefore, we propose a new causative mechanism for the vanishing of the bees: critically short telomeres in long-lived winter bees. We term this the telomere premature aging syndrome. Copyright 2010 Elsevier Ltd. All rights reserved.

  3. Range-separated density-functional theory for molecular excitation energies

    International Nuclear Information System (INIS)

    Rebolini, E.

    2014-01-01

    Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green's function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations. (author)

  4. Surface roughness effects on heat transfer in Couette flow

    International Nuclear Information System (INIS)

    Elia, G.G.

    1981-01-01

    A cell theory for viscous flow with rough surfaces is applied to two basic illustrative heat transfer problems which occur in Couette flow. Couette flow between one adiabatic surface and one isothermal surface exhibits roughness effects on the adiabatic wall temperature. Two types of rough cell adiabatic surfaces are studied: (1) perfectly insulating (the temperature gradient vanishes at the boundary of each cell); (2) average insulating (each cell may gain or lose heat but the total heat flow at the wall is zero). The results for the roughness on a surface in motion are postulated to occur because of fluid entrainment in the asperities on the moving surface. The symmetry of the roughness effects on thermal-viscous dissipation is discussed in detail. Explicit effects of the roughness on each surface, including combinations of roughness values, are presented to enable the case where the two surfaces may be from different materials to be studied. The fluid bulk temperature rise is also calculated for Couette flow with two ideal adiabatic surfaces. The effect of roughness on thermal-viscous dissipation concurs with the viscous hydrodynamic effect. The results are illustrated by an application to lubrication. (Auth.)

  5. On the vanishing of multiloop contributions to the 0-, 1-, 2-, 3-point functions in the Green-Schwarz formalism for heterotic strings

    International Nuclear Information System (INIS)

    Kallosh, R.; Morosov, A.

    1988-01-01

    We analyse the structure of insertions arising in multiloop calculations in the first-quantized version of the Green-Schwarz formalism. We show that at least four constant zero modes of grassmannian Θ-fields related to space-time supersymmetry are not removed by insertions. The occurrence of these zero modes straightforwardly leads to non-renormalization theorems, which imply that all 0-, 1-, 2-, 3-point functions vanish. (orig.)

  6. Development of Functional Surfaces on High-Density Polyethylene (HDPE) via Gas-Assisted Etching (GAE) Using Focused Ion Beams.

    Science.gov (United States)

    Sezen, Meltem; Bakan, Feray

    2015-12-01

    Irradiation damage, caused by the use of beams in electron and ion microscopes, leads to undesired physical/chemical material property changes or uncontrollable modification of structures. Particularly, soft matter such as polymers or biological materials is highly susceptible and very much prone to react on electron/ion beam irradiation. Nevertheless, it is possible to turn degradation-dependent physical/chemical changes from negative to positive use when materials are intentionally exposed to beams. Especially, controllable surface modification allows tuning of surface properties for targeted purposes and thus provides the use of ultimate materials and their systems at the micro/nanoscale for creating functional surfaces. In this work, XeF2 and I2 gases were used in the focused ion beam scanning electron microscope instrument in combination with gallium ion etching of high-density polyethylene surfaces with different beam currents and accordingly different gas exposure times resulting at the same ion dose to optimize and develop new polymer surface properties and to create functional polymer surfaces. Alterations in the surface morphologies and surface chemistry due to gas-assisted etching-based nanostructuring with various processing parameters were tracked using high-resolution SEM imaging, complementary energy-dispersive spectroscopic analyses, and atomic force microscopic investigations.

  7. Apparent Contact Angle and Contact Angle Hysteresis on Liquid Infused Surfaces

    OpenAIRE

    Semprebon, Ciro; McHale, Glen; Kusumaatmaja, Halim

    2016-01-01

    We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a strong dependence on the relative size between the droplet and its surrounding wetting ridge formed by the infusing liquid. We derive a closed form expression for the contact angle in the limit of vanishing wetting ridge, and compute the correction for small b...

  8. Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

    OpenAIRE

    Kuisma, Mikael; Sakko, Arto; Rossi, Tuomas P.; Larsen, Ask H.; Enkovaara, Jussi; Lehtovaara, Lauri; Rantala, Tapio T.

    2015-01-01

    We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm, converging close to the classical quasistatic limit around 3.4 eV. We base the observation on time-dependent density-functional theory simulations of the icosahedral silver clusters Ag$_{55}$ (1.06 nm), Ag$_{147}$ (1.60 nm), Ag$_{309}$ (2.14 nm), and Ag$_{561}$ (2.68 nm). The simulation method combines the adiabat...

  9. Numerical analysis of the effect of surface roughness on mechanical fields in polycrystalline aggregates

    Science.gov (United States)

    Guilhem, Yoann; Basseville, Stéphanie; Curtit, François; Stéphan, Jean-Michel; Cailletaud, Georges

    2018-06-01

    This paper is dedicated to the study of the influence of surface roughness on local stress and strain fields in polycrystalline aggregates. Finite element computations are performed with a crystal plasticity model on a 316L stainless steel polycrystalline material element with different roughness states on its free surface. The subsequent analysis of the plastic strain localization patterns shows that surface roughness strongly affects the plastic strain localization induced by crystallography. Nevertheless, this effect mainly takes place at the surface and vanishes under the first layer of grains, which implies the existence of a critical perturbed depth. A statistical analysis based on the plastic strain distribution obtained for different roughness levels provides a simple rule to define the size of the affected zone depending on the rough surface parameters.

  10. Silver-capped silicon nanopillar platforms for adsorption studies of folic acid using surface enhanced Raman spectroscopy and density functional theory

    DEFF Research Database (Denmark)

    Castillo, Jaime; Rindzevicius, Tomas; Wu, Kaiyu

    2015-01-01

    The study of the interactions of folic acid (FA) with surface enhanced Raman scattering substrates is relevant for understanding its adsorption mechanismand for fabricating analytical devices for detection ofmalignant cells over-expressing folate receptors. This paper presents a study of the adso......The study of the interactions of folic acid (FA) with surface enhanced Raman scattering substrates is relevant for understanding its adsorption mechanismand for fabricating analytical devices for detection ofmalignant cells over-expressing folate receptors. This paper presents a study...... of the adsorption of FA on silver-capped silicon nanopillar substrates employing surface enhanced Raman scattering spectroscopy and density functional theory calculations. The experimentally observed vibrations from free FA and FA bound to the Ag surface display different vibrational spectra indicating chemical...

  11. Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0 0 0 1) surface

    International Nuclear Information System (INIS)

    Wu Guangxin; Zhang Jieyu; Wu Yongquan; Li Qian; Chou Kuochih; Bao Xinhua

    2009-01-01

    Using density functional theory (DFT) in combination with nudged elastic band (NEB) method, the dissociative chemisorptions and diffusion processes of hydrogen on both pure and Fe-doped Mg(0 0 0 1) surfaces are studied. Firstly, the dissociation pathway of H 2 and the relative barrier were investigated. The calculated dissociation barrier (1.08 eV) of hydrogen molecule on a pure Mg(0 0 0 1) surface is in good agreement with comparable experimental and theoretical studies. For the Fe-doped Mg(0 0 0 1) surface, the activated barrier decreases to 0.101 eV due to the strong interaction between the s orbital of H and the d orbital of Fe. Then, the diffusion processes of atomic hydrogen on pure and Fe-doped Mg(0 0 0 1) are presented. The obtained diffusion barrier to the first subsurface is 0.45 eV and 0.98 eV, respectively. Finally, Chou method was used to investigate the hydrogen sorption kinetic mechanism of pure MgH 2 and Mg mixed with 5 at.% Fe atoms composites. The obtained activation energies are 0.87 ± 0.02 and 0.31 ± 0.01 eV for H 2 dissociation on the pure surface and H atom diffusion in Fe-doped Mg surfaces, respectively. It suggests that the rate-controlling step is dissociation of H 2 on the pure Mg surface while it is diffusion of H atom in the Fe-doped Mg surface. And both of fitting data are matching well with our calculation results.

  12. Thermospheric density and satellite drag modeling

    Science.gov (United States)

    Mehta, Piyush Mukesh

    The United States depends heavily on its space infrastructure for a vast number of commercial and military applications. Space Situational Awareness (SSA) and Threat Assessment require maintaining accurate knowledge of the orbits of resident space objects (RSOs) and the associated uncertainties. Atmospheric drag is the largest source of uncertainty for low-perigee RSOs. The uncertainty stems from inaccurate modeling of neutral atmospheric mass density and inaccurate modeling of the interaction between the atmosphere and the RSO. In order to reduce the uncertainty in drag modeling, both atmospheric density and drag coefficient (CD) models need to be improved. Early atmospheric density models were developed from orbital drag data or observations of a few early compact satellites. To simplify calculations, densities derived from orbit data used a fixed CD value of 2.2 measured in a laboratory using clean surfaces. Measurements from pressure gauges obtained in the early 1990s have confirmed the adsorption of atomic oxygen on satellite surfaces. The varying levels of adsorbed oxygen along with the constantly changing atmospheric conditions cause large variations in CD with altitude and along the orbit of the satellite. Therefore, the use of a fixed CD in early development has resulted in large biases in atmospheric density models. A technique for generating corrections to empirical density models using precision orbit ephemerides (POE) as measurements in an optimal orbit determination process was recently developed. The process generates simultaneous corrections to the atmospheric density and ballistic coefficient (BC) by modeling the corrections as statistical exponentially decaying Gauss-Markov processes. The technique has been successfully implemented in generating density corrections using the CHAMP and GRACE satellites. This work examines the effectiveness, specifically the transfer of density models errors into BC estimates, of the technique using the CHAMP and

  13. Detailed study of nuclear charge and mass densities. Pt. 1

    International Nuclear Information System (INIS)

    Berdichevsky, D.; Mosel, U.

    1982-01-01

    Theoretical and experimental densities are analyzed and compared in detail, in particular in the surface region. For this purpose nuclear size parameters are discussed and new sets of surface parameters are proposed. It is shown that the densities are very close to the error function in the external part of the surface and can be characterized there by two new parameters. For very large r the densities show an exponential behaviour which is analyzed in terms of single-particle density distributions. Furthermore, the effects of the asymmetry, spin-orbit and Coulomb forces on the density distributions are discussed. (orig.)

  14. THE INITIAL MASS FUNCTION AND THE SURFACE DENSITY PROFILE OF NGC 6231

    Energy Technology Data Exchange (ETDEWEB)

    Sung, Hwankyung [Department of Astronomy and Space Science, Sejong University, 98, Kunja-dong, Kwangjin-gu, Seoul 143-747 (Korea, Republic of); Sana, Hugues [Astronomical Institute ' Anton Pannekeok' , Amsterdam University, Science Park 904, 1098-XH Amsterdam (Netherlands); Bessell, Michael S., E-mail: sungh@sejong.ac.kr, E-mail: H.Sana@uva.nl, E-mail: bessell@mso.anu.edu.au [Research School of Astronomy and Astrophysics, Australian National University, MSO, Cotter Road, Weston, ACT 2611 (Australia)

    2013-02-01

    We have performed new wide-field photometry of the young open cluster NGC 6231 to study the shape of the initial mass function (IMF) and mass segregation. We also investigated the reddening law toward NGC 6231 from optical to mid-infrared color excess ratios, and found that the total-to-selective extinction ratio is R{sub V} = 3.2, which is very close to the normal value. But many early-type stars in the cluster center show large color excess ratios. We derived the surface density profiles of four member groups, and found that they reach the surface density of field stars at about 10', regardless of stellar mass. The IMF of NGC 6231 is derived for the mass range 0.8-45 M{sub Sun }. The slope of the IMF of NGC 6231 ({Gamma} = -1.1 {+-} 0.1) is slightly shallower than the canonical value, but the difference is marginal. In addition, the mass function varies systematically, and is a strong function of radius-it is very shallow at the center, and very steep at the outer ring suggesting the cluster is mass segregated. We confirm the mass segregation for the massive stars (m {approx}> 8 M{sub Sun }) by a minimum spanning tree analysis. Using a Monte Carlo method, we estimate the total mass of NGC 6231 to be about 2.6 ({+-} 0.6) Multiplication-Sign 10{sup 3} M{sub Sun }. We constrain the age of NGC 6231 by comparison with evolutionary isochrones. The age of the low-mass stars ranges from 1 to 7 Myr with a slight peak at 3 Myr. However, the age of the high-mass stars depends on the adopted models and is 3.5 {+-} 0.5 Myr from the non-rotating or moderately rotating models of Brott et al. as well as the non-rotating models of Ekstroem et al. But the age is 4.0-7.0 Myr if the rotating models of Ekstroem et al. are adopted. This latter age is in excellent agreement with the timescale of ejection of the high-mass runaway star HD 153919 from NGC 6231, albeit the younger age cannot be entirely excluded.

  15. Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

    Science.gov (United States)

    Berland, K.; Einstein, T. L.; Hyldgaard, P.

    2012-01-01

    The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wave functions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We calculate the shift in energetic position and effective mass of the surface state for an electrical field perpendicular to the Cu(111) surface; the response is linear over a broad range of field strengths. We find that charge transfer occurs beyond the outermost copper atoms and that accumulation of electrons is responsible for a quarter of the screening of the electrical field. This allows us to provide well converged determinations of the field-induced changes in the surface state for a moderate number of layers in the slab geometry.

  16. Characterization of neutron leakage probability, k /SUB eff/ , and critical core surface mass density of small reactor assemblies through the Trombay criticality formula

    International Nuclear Information System (INIS)

    Kumar, A.; Rao, K.S.; Srinivasan, M.

    1983-01-01

    The Trombay criticality formula (TCF) has been derived by incorporating a number of well-known concepts of criticality physics to enable prediction of changes in critical size or k /SUB eff/ following alterations in geometrical and physical parameters of uniformly reflected small reactor assemblies characterized by large neutron leakage from the core. The variant parameters considered are size, shape, density and diluent concentration of the core, and density and thickness of the reflector. The effect of these changes (except core size) manifests, through sigma /SUB c/ the critical surface mass density of the ''corresponding critical core,'' that sigma, the massto-surface-area ratio of the core,'' is essentially a measure of the product /rho/ extended to nonspherical systems and plays a dominant role in the TCF. The functional dependence of k /SUB eff/ on sigma/sigma /SUB c/ , the system size relative to critical, is expressed in the TCF through two alternative representations, namely the modified Wigner rational form and, an exponential form, which is given

  17. Vanishing De Vega annuloplasty for functional tricuspid regurgitation.

    Science.gov (United States)

    Duran, C M; Kumar, N; Prabhakar, G; Ge, Z; Bianchi, S; Gometza, B

    1993-10-01

    pulmonary arteriolar resistance can be adequately treated by a vanishing De Vega annuloplasty, which will stent the tricuspid anulus for about 4 months.

  18. A density functional theory study on the carbon chain growth of ethanol formation on Cu-Co (111) and (211) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Bohua; Dong, Xiuqin; Yu, Yingzhe [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Wen, Guobin [Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Zhang, Minhua, E-mail: mhzhang@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China)

    2017-08-01

    Highlights: • Calculations based on the first-principle density functional theory were carried out to study ethanol formation from syngas on Cu-Co surfaces. • The most controversial reactions in ethanol formation from syngas were researched: CO dissociation mechanism and the key reactions of carbon chain growth of ethanol formation (HCO insertion reactions (CHx + HCO → CHxCHO (x = 1–3))). • Four model surfaces (Cu-Co (111) and (211) with Cu-rich or Co-rich surfaces) were built to investigate the synergy of the Cu and Co components. • The PDOS of 4d orbitals and d-band center analysis of surface Cu and Co atoms of all surfaces were studied to reveal correlation between electronic property and catalytic performance. - Abstract: Calculations based on the first-principle density functional theory were carried out to study the most controversial reactions in ethanol formation from syngas on Cu-Co surfaces: CO dissociation mechanism and the key reactions of carbon chain growth of ethanol formation (HCO insertion reactions) on four model surfaces (Cu-Co (111) and (211) with Cu-rich or Co-rich surfaces) to investigate the synergy of the Cu and Co components since the complete reaction network of ethanol formation from syngas is a huge computational burden to calculate on four Cu-Co surface models. We investigated adsorption of important species involved in these reactions, activation barrier and reaction energy of H-assisted dissociation mechanism, directly dissociation of CO, and HCO insertion reactions (CH{sub x} + HCO → CH{sub x}CHO (x = 1–3)) on four Cu-Co surface models. It was found that reactions on Cu-rich (111) and (211) surfaces all have lower activation barrier in H-assisted dissociation and HCO insertion reactions, especially CH + HCO → CHCHO reaction. The PDOS of 4d orbitals of surface Cu and Co atoms of all surfaces were studied. Analysis of d-band center of Cu and Co atoms and the activation barrier data suggested the correlation between

  19. Gravitational collapse of a cylindrical null shell in vacuum

    Directory of Open Access Journals (Sweden)

    S. Khakshournia

    2008-03-01

    Full Text Available   Barrabès-Israel null shell formalism is used to study the gravitational collapse of a thin cylindrical null shell in vacuum. In general the lightlike matter shell whose history coincides with a null hypersurface is characterized by a surface energy density. In addition, a gravitational impulsive wave is present on this null hypersurface whose generators admit both the shear and expansion. In the case of imposing the cylindrical flatness the surface energy-momentum tensor of the matter shell on the null hypersurface vanishes and the null hyper- surface is just the history of the gravitational wave .

  20. Two-dimensional LIF measurements of humidity and OH density resulting from evaporated water from a wet surface in plasma for medical use

    International Nuclear Information System (INIS)

    Yagi, Ippei; Ono, Ryo; Oda, Tetsuji; Takaki, Koichi

    2015-01-01

    In plasma medicine, plasma is applied to a wet surface and is often accompanied by dry-gas flow. The dry-gas flow affects water evaporation from the wet surface and influences production of reactive species derived from water vapor, such as OH radicals. In this study, the effect of the dry-gas flow on two-dimensional distributions of humidity and OH radical density are examined by measuring them using laser-induced fluorescence (LIF). First, humidity is measured when nitrogen flows from a quartz tube of 4 mm inner diameter onto distilled water and agar media from 5 mm distance. NO gas is added to the nitrogen as a tracer and humidity is obtained from the quenching rate of NO molecules measured using LIF. This measurement has a spatial resolution of 0.2 mm 3 and a temporal resolution of less than 220 ns. The two-dimensional humidity distribution shows that the dry-gas flow pushes away water vapor evaporating from the wet surface. As a result, a low-humidity region is formed near the quartz tube nozzle and a high-humidity region is formed near the wet surface. The thickness of the low-humidity region reduces with increasing gas flow rate. It is 0.1–0.5 mm for the flow rate of higher than 0.3 l min −1 . Next, the OH density is measured when a nanosecond pulsed streamer discharge is applied to a distilled water surface with dry-air flow. The OH density decreases with increasing gas flow rate due to decreased humidity. When the flow rate is lower than 0.1 l min −1 , the OH distribution is approximately uniform in the plasma region, while the humidity distribution shows a large gradient. The importance of the thin high-humidity region on the flux of reactive species onto the wet surface is discussed. (paper)

  1. Inferring Shallow Subsurface Density Structure from Surface and Underground Gravity Measurements: Calibrating Models for Relatively Undeformed Volcanic Strata at the Jemez Volcanic Field, New Mexico, USA

    Science.gov (United States)

    Roy, Mousumi; Lewis, Megan; Johnson, Alex; George, Nicolas; Rowe, Charlotte; Guardincerri, Elena

    2018-03-01

    Imaging shallow subsurface density structure is an important goal in a variety of applications, from hydrogeology to seismic and volcanic hazard assessment. We assess the effectiveness of surface and subsurface gravity measurements in estimating the density structure of a well-characterized rock volume: the mesa (a small, flat-topped plateau) upon which the town of Los Alamos, New Mexico, USA is located. Our gravity measurements were made on the mesa surface above a horizontal tunnel and underground, within the tunnel. We demonstrate that, in the absence of other geophysical data such as seismic data or muon attenuation, subsurface (tunnel) gravity measurements are critical to accurately recovering geologic structure. Without the tunnel data, our resolution is limited to roughly the surface gravity station spacing, but by including the tunnel data we can resolve structure to a depth of 10 times the surface gravity station spacing. Densities were obtained using both forward modeling and a Bayesian inverse modeling approach, incorporating relevant constraints from geologic observations. We find that Bayesian inversion, with geologically relevant prior, is a superior approach to the forward models in terms of both robustness and efficiency and correctly predicts the orientation and elevation of important geologic features.

  2. A density functional study on adsorption and dissociation of O 2 on Ir(1 0 0) surface

    Science.gov (United States)

    Erikat, I. A.; Hamad, B. A.; Khalifeh, J. M.

    2011-06-01

    The adsorption and the reaction barrier for the dissociation of O 2 on Ir(1 0 0) surface are studied using periodic self-consistent density functional theory (DFT) calculations. Dissociative adsorption is found to be energetically more favorable compared to molecular adsorption. Parallel approaches Prl1 and Prl2 on a hollow site with the same adsorption energy of -3.93 eV for both of them are found to have the most energetically preferred sites of adsorptions among all the studied cases. Hybridization between p-O 2 and d-metal orbitals is responsible for the dissociative adsorption. The minimum energy path is determined by using the nudge elastic band method (NEB). We found that the dissociation occurs immediately and very early in the dissociation path with a small activation barrier (0.26 eV), which means that molecular adsorption of O 2 on Ir(1 0 0) surface occurs at very low temperatures; this is consistent with previous experimental and theoretical studies on Ir surfaces.

  3. Probing Free-Energy Surfaces with Differential Scanning Calorimetry

    Science.gov (United States)

    Sanchez-Ruiz, Jose M.

    2011-05-01

    Many aspects of protein folding can be understood in terms of projections of the highly dimensional energy landscape onto a few (or even only one) particularly relevant coordinates. These free-energy surfaces can be probed conveniently from experimental differential scanning calorimetry (DSC) thermograms, as DSC provides a direct relation with the protein partition function. Free-energy surfaces thus obtained are consistent with two fundamental scenarios predicted by the energy-landscape perspective: (a) well-defined macrostates separated by significant free-energy barriers, in some cases, and, in many other cases, (b) marginal or even vanishingly small barriers, which furthermore show a good correlation with kinetics for fast- and ultrafast-folding proteins. Overall, the potential of DSC to assess free-energy surfaces for a wide variety of proteins makes it possible to address fundamental issues, such as the molecular basis of the barrier modulations produced by natural selection in response to functional requirements or to ensure kinetic stability.

  4. Characterization of the intrinsic density profiles for liquid surfaces

    International Nuclear Information System (INIS)

    Chacon, Enrique; Tarazona, Pedro

    2005-01-01

    This paper presents recent advances in the characterization of the intrinsic structures in computer simulations of liquid surfaces. The use of operational definitions for the intrinsic surface, associated with each molecular configuration of a liquid slab, gives direct access to the intrinsic profile and to the wavevector dependent surface tension. However, the characteristics of these functions depend on the definition used for the intrinsic surface. We discuss the pathologies associated with a local Gibbs dividing surface definition, and consider the alternative definition of a minimal area surface, going though a set of surface pivots, self-consistently chosen to represent the first liquid layer

  5. Reciprocity in Vector Acoustics

    Science.gov (United States)

    2017-03-01

    Green’s Theorem to the left hand side of Equation (3.2) converts it to a surface integral that vanishes for the impedance boundary conditions one...There are situations where this assumption does not hold, such as at boundaries between layers or in an inhomogeneous layer , because the density gradient...instead of requiring one model run for each source location. Application of the vector-scalar reciprocity principle is demonstrated with analytic

  6. Polystyrene sphere monolayer assisted electrochemical deposition of ZnO nanorods with controlable surface density

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, D., E-mail: daniel.ramirez@ucv.c [Laboratorio de Electroquimica, Pontificia Universidad Catolica de Valparaiso, Valparaiso (Chile); Gomez, H. [Laboratorio de Electroquimica, Pontificia Universidad Catolica de Valparaiso, Valparaiso (Chile); Lincot, D. [Institute de Recherche et Developpement sur l' Energie Photovoltaique-IRDEP, 6 Quai Watier 78401, Chatou Cedex (France)

    2010-02-15

    In this paper we report the zinc oxide nanorods (ZnO NRs) growth by electrochemical deposition onto polycrystalline gold electrodes modified with assemblies of polystyrene sphere monolayers (PSSMs). Growth occurs through the interstitial spaces between the hexagonally close packed spheres. ZnO NRs nucleate in the region where three adjacent spheres leave a space, being able to grow and projected over the PSSMs. The nanorod surface density (N{sub NR}) shows a linear dependence with respect to a PS sphere diameter selected. XRD analysis shows these ZnO NRs are highly oriented along the (0 0 2) plane (c-axis). This open the possibility to have electronic devices with mechanically supported nanometric materials.

  7. Differences observed in the surface morphology and microstructure of Ni-Fe-Cu ternary thin films electrochemically deposited at low and high applied current densities

    International Nuclear Information System (INIS)

    Sarac, U; Kaya, M; Baykul, M C

    2016-01-01

    In this research, nanocrystalline Ni-Fe-Cu ternary thin films using electrochemical deposition technique were produced at low and high applied current densities onto Indium Tin Oxide (ITO) coated conducting glass substrates. Change of surface morphology and microstructural properties of the films were investigated. Energy dispersive X-ray spectroscopy (EDX) measurements showed that the Ni-Fe-Cu ternary thin films exhibit anomalous codeposition behaviour during the electrochemical deposition process. From the X-ray diffraction (XRD) analyses, it was revealed that there are two segregated phases such as Cu- rich and Ni-rich within the films. The crystallographic structure of the films was face-centered cubic (FCC). It was also observed that the film has lower lattice micro-strain and higher texture degree at high applied current density. Scanning electron microscopy (SEM) studies revealed that the films have rounded shape particles on the base part and cauliflower-like structures on the upper part. The film electrodeposited at high current density had considerably smaller rounded shape particles and cauliflower-like structures. From the atomic force microscopy (AFM) analyses, it was shown that the film deposited at high current density has smaller particle size and surface roughness than the film grown at low current density. (paper)

  8. Flux quantization and quantum mechanics on Riemann surfaces in an external magnetic field

    International Nuclear Information System (INIS)

    Bolte, J.; Steiner, F.

    1990-10-01

    We investigate the possibility to apply an external constant magnetic field to a quantum mechanical system consisting of a particle moving on a compact or non-compact two-dimensional manifold of constant negative Gaussian curvature and of finite volume. For the motion on compact Riemann surfaces we find that a consistent formulation is only possible if the magnetic flux is quantized, as it is proportional to the (integrated) first Chern class of a certain complex line bundle over the manifold. In the case of non-compact surfaces of finite volume we obtain the striking result that the magnetic flux has to vanish identically due to the theorem that any holomorphic line bundle over a non-compact Riemann surface is holomorphically trivial. (orig.)

  9. Surface morphology of laser superheated Pb(100)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z.H.; Lin, B.; Elsayed-Ali, H.E.

    1999-11-01

    The change in the surface vacancy density after heating of Pb(100) with {approximately}100 ps laser pulses is investigated using reflection high-energy electron diffraction. The surface vacancy density remains unchanged when the surface is superheated without melting. However, when the laser fluence is high enough to cause surface melting, the surface vacancy density increases. This increase in vacancy density is attributed to fast diffusion of atoms in the liquid film formed on Pb(100) during laser melting.

  10. Dirac spin-orbit torques and charge pumping at the surface of topological insulators

    KAUST Repository

    Ndiaye, Papa Birame

    2017-07-07

    We address the nature of spin-orbit torques at the magnetic surfaces of topological insulators using the linear-response theory. We find that the so-called Dirac torques in such systems possess a different symmetry compared to their Rashba counterpart, as well as a high anisotropy as a function of the magnetization direction. In particular, the damping torque vanishes when the magnetization lies in the plane of the topological-insulator surface. We also show that the Onsager reciprocal of the spin-orbit torque, the charge pumping, induces an enhanced anisotropic damping. Via a macrospin model, we numerically demonstrate that these features have important consequences in terms of magnetization switching.

  11. Dirac spin-orbit torques and charge pumping at the surface of topological insulators

    Science.gov (United States)

    Ndiaye, Papa B.; Akosa, C. A.; Fischer, M. H.; Vaezi, A.; Kim, E.-A.; Manchon, A.

    2017-07-01

    We address the nature of spin-orbit torques at the magnetic surfaces of topological insulators using the linear-response theory. We find that the so-called Dirac torques in such systems possess a different symmetry compared to their Rashba counterpart, as well as a high anisotropy as a function of the magnetization direction. In particular, the damping torque vanishes when the magnetization lies in the plane of the topological-insulator surface. We also show that the Onsager reciprocal of the spin-orbit torque, the charge pumping, induces an enhanced anisotropic damping. Via a macrospin model, we numerically demonstrate that these features have important consequences in terms of magnetization switching.

  12. Dirac spin-orbit torques and charge pumping at the surface of topological insulators

    KAUST Repository

    Ndiaye, Papa Birame; Akosa, Collins Ashu; Fischer, M. H.; Vaezi, A.; Kim, E.-A.; Manchon, Aurelien

    2017-01-01

    We address the nature of spin-orbit torques at the magnetic surfaces of topological insulators using the linear-response theory. We find that the so-called Dirac torques in such systems possess a different symmetry compared to their Rashba counterpart, as well as a high anisotropy as a function of the magnetization direction. In particular, the damping torque vanishes when the magnetization lies in the plane of the topological-insulator surface. We also show that the Onsager reciprocal of the spin-orbit torque, the charge pumping, induces an enhanced anisotropic damping. Via a macrospin model, we numerically demonstrate that these features have important consequences in terms of magnetization switching.

  13. Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals.

    Science.gov (United States)

    Nandi, Prithwish Kumar; Valsakumar, M C; Chandra, Sharat; Sahu, H K; Sundar, C S

    2010-09-01

    We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare the relative performance of local density approximation (LDA) and generalized gradient approximation (GGA) for predicting such physical properties for these metals. We also make a relative study between two different flavors of GGA exchange correlation functional, namely PW91 and PBE. These calculations show that there is a discrepancy between DFT calculations and experimental data. In order to understand this discrepancy in the calculation of vacancy formation energy, we introduce a correction for the surface intrinsic error corresponding to an exchange correlation functional using the scheme implemented by Mattsson et al (2006 Phys. Rev. B 73 195123) and compare the effectiveness of the correction scheme for Al and the 3d transition metals.

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

    Science.gov (United States)

    Rehner, Philipp; Gross, Joachim

    2018-04-01

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

  15. Surface tension, density, and speed of sound for the ternary mixture {l_brace}diethyl carbonate + p-xylene + decane{r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Mosteiro, Laura; Casas, Lidia M. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain); Legido, Jose L. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain)], E-mail: xllegido@uvigo.es

    2009-05-15

    This paper reports the results of a new experimental study of thermophysical properties for the ternary mixture of {l_brace}diethyl carbonate + p-xylene + decane{r_brace}. Surface tension has been measured at 298.15 K and, density and speed of sound have been measured in the temperature range T = (288.15 to 308.15) K. Excess molar volumes, excess isentropic compressibilities, and surface tension deviations, have been calculated from experimental data. Surface tension deviations have been correlated with Cibulka equation and Nagata and Tamura equation was used for the other excess properties. Good accuracy has been obtained. These excess magnitudes are discussed qualitatively in terms of the nature and type of intermolecular interactions of the components involved.

  16. Selective Laser Sintering of PA2200: Effects of print parameters on density, accuracy, and surface roughness

    Energy Technology Data Exchange (ETDEWEB)

    Bajric, Sendin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-06-12

    Additive manufacturing needs a broader selection of materials for part production. In order for the Los Alamos National Laboratory (LANL) to investigate new materials for selective laser sintering (SLS), this paper reviews research on the effect of print parameters on part density, accuracy, and surface roughness of polyamide 12 (PA12, PA2200). The literature review serves to enhance the understanding of how changing the laser powder, scan speed, etc. will affect the mechanical properties of a commercial powder. By doing so, this understanding will help the investigation of new materials for SLS.

  17. Fishery-independent surface abundance and density estimates of swordfish (Xiphias gladius) from aerial surveys in the Central Mediterranean Sea

    Science.gov (United States)

    Lauriano, Giancarlo; Pierantonio, Nino; Kell, Laurence; Cañadas, Ana; Donovan, Gregory; Panigada, Simone

    2017-07-01

    Fishery-independent surface density and abundance estimates for the swordfish were obtained through aerial surveys carried out over a large portion of the Central Mediterranean, implementing distance sampling methodologies. Both design- and model-based abundance and density showed an uneven occurrence of the species throughout the study area, with clusters of higher density occurring near converging fronts, strong thermoclines and/or underwater features. The surface abundance was estimated for the Pelagos Sanctuary for Mediterranean Marine Mammals in the summer of 2009 (n=1152; 95%CI=669.0-1981.0; %CV=27.64), the Sea of Sardinia, the Pelagos Sanctuary and the Central Tyrrhenian Sea for the summer of 2010 (n=3401; 95%CI=2067.0-5596.0; %CV=25.51), and for the Southern Tyrrhenian Sea during the winter months of 2010-2011 (n=1228; 95%CI=578-2605; %CV=38.59). The Mediterranean swordfish stock deserves special attention in light of the heavy fishing pressures. Furthermore, the unreliability of fishery-related data has, to date, hampered our ability to effectively inform long-term conservation in the Mediterranean Region. Considering that the European countries have committed to protect the resources and all the marine-related economic and social dynamics upon which they depend, the information presented here constitute useful data towards the international legal requirements under the Marine Strategy Framework Directory, the Common Fisheries Policy, the Habitats and Species Directive and the Directive on Maritime Spatial Planning, among the others.

  18. On the possibility of contact-induced spin polarization in interfaces of armchair nanotubes with transition metal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Kuzubov, Alexander A. [Siberian Federal University, 79 Svobodny Prospect, 660041 Krasnoyarsk (Russian Federation); Kirensky Institute of Physics, 50 Akademgorodok, 660036 Krasnoyarsk (Russian Federation); Kovaleva, Evgenia A., E-mail: kovaleva.evgeniya1991@mail.ru [Siberian Federal University, 79 Svobodny Prospect, 660041 Krasnoyarsk (Russian Federation); Kirensky Institute of Physics, 50 Akademgorodok, 660036 Krasnoyarsk (Russian Federation); Tomilin, Felix N.; Mikhaleva, Natalya S.; Kuklin, Artem V. [Siberian Federal University, 79 Svobodny Prospect, 660041 Krasnoyarsk (Russian Federation); Kirensky Institute of Physics, 50 Akademgorodok, 660036 Krasnoyarsk (Russian Federation)

    2015-12-15

    The interaction between armchair carbon and boron nitride nanotubes (NT) with ferromagnetic transition metal (TM) surfaces, namely, Ni(111) and Co(0001), was studied by means of density functional theory. Different configurations of composite compartments mutual arrangement were considered. Partial densities of states and spin density spatial distribution of optimized structures were investigated. Influence of ferromagnetic substrate on nanotubes’ electronic properties was discussed. The values of spin polarization magnitude at the Fermi level are also presented and confirm the patterns of spin density spatial distribution. - Highlights: • Interaction of armchair nanotubes with ferromagnetic metal surfaces was investigated. • Different configurations of nanotube's location were considered. • For all nanotubes the energy difference between configurations is negligible. • Nanotubes were found to be more or less spin-polarized regarding to the configuration. • BN nanotubes demonstrate vanishing of the band gap and contact-induced conductivity.

  19. SURFACE DENSITY EFFECTS IN QUENCHING: CAUSE OR EFFECT?

    Energy Technology Data Exchange (ETDEWEB)

    Lilly, Simon J.; Carollo, C. Marcella [Institute for Astronomy, Department of Physics, ETH Zurich, 8093 Zurich (Switzerland)

    2016-12-10

    There are very strong observed correlations between the specific star formation rates (sSFRs) of galaxies and their mean surface mass densities, Σ, as well as other aspects of their internal structure. These strong correlations have often been taken to argue that the internal structure of a galaxy must play a major physical role, directly or indirectly, in the control of star formation. In this paper we show by means of a very simple toy model that these correlations can arise naturally without any such physical role once the observed evolution of the size–mass relation for star-forming galaxies is taken into account. In particular, the model reproduces the sharp threshold in Σ between galaxies that are star-forming and those that are quenched and the evolution of this threshold with redshift. Similarly, it produces iso-quenched-fraction contours in the f {sub Q}( m , R {sub e}) plane that are almost exactly parallel to lines of constant Σ for centrals and shallower for satellites. It does so without any dependence on quenching on size or Σ and without invoking any differences between centrals and satellites, beyond the different mass dependences of their quenching laws. The toy model also reproduces several other observations, including the sSFR gradients within galaxies and the appearance of inside-out build-up of passive galaxies. Finally, it is shown that curvature in the main-sequence sSFR–mass relation can produce curvature in the apparent B / T ratios with mass. Our analysis therefore suggests that many of the strong correlations that are observed between galaxy structure and sSFR may well be a consequence of things unrelated to quenching and should not be taken as evidence of the physical processes that drive quenching.

  20. Reactivity of palladium nano-particles supported in hydrogenation: role of particles surface density; Reactivite des nanoparticules de palladium supportees en hydrogenation: role de la densite surfacique de particules

    Energy Technology Data Exchange (ETDEWEB)

    Benkhaled, M.

    2004-10-01

    The objective of this work is to investigate the influence of the particle surface density on the hydrogenation of polyunsaturated compounds (buta-1,3-diene, ortho-xylene). Highly dispersed Pd/Al{sub 2}O{sub 3} ({gamma} and {delta}-Al{sub 2}O{sub 3}) catalysts were prepared from Pd(nitrite) complexes (size < 7 angstrom, controlled by TEM, HAADF, EXAFS and CO chemisorption). Increasing the particle surface density from 2240 to 12880 particles/{mu}m{sup 2} leads to a modification of the electronic properties as evidenced by CO-FTIR, XPS and XANES. By contrast, the comparison of the supports at iso-density showed no significant difference of the physico-chemical properties of the supported metal particles. In parallel, the catalytic performances in hydrogenation of butadiene and butenes are very sensitive both to the nature of the support for the same density and to the surface density for the same support. It was shown that the reactions of hydrogenation could be controlled at the same time by the electronic properties of the metal nano-particles but also by the phenomenon of hydrogen diffusion around the particles on a zone of support. In this case, the support can play the part of hydrogen tank. (author)

  1. Vanishing Lung Syndrome: Compound Effect of Tobacco and Marijuana Use on the Development of Bullous Lung Disease – A Joint Effort

    OpenAIRE

    Wiesel, Shimshon; Siddiqui, Faraz; Khan, Tahir; Hossri, Sami; El-Sayegh, Dany

    2017-01-01

    Marijuana use has been increasing across the United States due to its legalization as both a medicinal and recreational product. A small number of case reports have described a pathological entity called vanishing lung syndrome (VLS), which is a rare bullous lung disease usually caused by tobacco smoking. Recent case reports have implicated marijuana in the development of VLS. We present a case of a 47-year-old man, who presented to our hospital with shortness of breath, fevers and a producti...

  2. Surface tension and 0.1 MPa densities of imidazolium-, pyridinium-, pyrrolidinium-, and piperidinium-based tris(pentafluoroethyl)trifluorophosphate ionic liquids

    Czech Academy of Sciences Publication Activity Database

    Součková, Monika; Klomfar, Jaroslav; Pátek, Jaroslav

    2012-01-01

    Roč. 333, NOV 15 2012 (2012), s. 38-46 ISSN 0378-3812 R&D Projects: GA ČR GA101/09/0010 Institutional research plan: CEZ:AV0Z20760514 Keywords : ionic liquid * tris(pentafluoroethyl)trifluorophosphate * density * surface tension Subject RIV: BJ - Thermodynamics Impact factor: 2.379, year: 2012 http://www.sciencedirect.com/science/article/pii/S037838121200310X

  3. CARMA SURVEY TOWARD INFRARED-BRIGHT NEARBY GALAXIES (STING). III. THE DEPENDENCE OF ATOMIC AND MOLECULAR GAS SURFACE DENSITIES ON GALAXY PROPERTIES

    International Nuclear Information System (INIS)

    Wong, Tony; Xue, Rui; Bolatto, Alberto D.; Fisher, David B.; Vogel, Stuart N.; Leroy, Adam K.; Blitz, Leo; Rosolowsky, Erik; Bigiel, Frank; Ott, Jürgen; Rahman, Nurur; Walter, Fabian

    2013-01-01

    We investigate the correlation between CO and H I emission in 18 nearby galaxies from the CARMA Survey Toward IR-Bright Nearby Galaxies (STING) at sub-kpc and kpc scales. Our sample, spanning a wide range in stellar mass and metallicity, reveals evidence for a metallicity dependence of the H I column density measured in regions exhibiting CO emission. Such a dependence is predicted by the equilibrium model of McKee and Krumholz, which balances H 2 formation and dissociation. The observed H I column density is often smaller than predicted by the model, an effect we attribute to unresolved clumping, although values close to the model prediction are also seen. We do not observe H I column densities much larger than predicted, as might be expected were there a diffuse H I component that did not contribute to H 2 shielding. We also find that the H 2 column density inferred from CO correlates strongly with the stellar surface density, suggesting that the local supply of molecular gas is tightly regulated by the stellar disk

  4. The alterations of cortical volume, thickness, surface and density in the intermediate sporadic Parkinson's disease from the Han population of Mainland China

    Directory of Open Access Journals (Sweden)

    Xia Deng

    2016-08-01

    Full Text Available Many symptoms of sporadic Parkinson's disease (sPD can’t be completely explained by the lesion of simple typical extrapyramidal circuit between striatum and substantia nigra. Therefore, we investigated the alteration of cortical volume, thickness, surface and density in the intermediate sPD from the Han population of Mainland China in order to find the new pathological brain regions associated with the complex clinical manifestations of sPD. The cortical volume, thickness, surface and density were examined using the voxel-based cortical morphometry and corticometry on magnetic resonance image (MRI in 67 intermediate sPD and 35 controls, the multiple adjusted comparisons analysis of all MRI data were employed to assess the relationships between the cortical morphometric alteration in the specific brain regions and sPD. Results showed that a significantly shrunk volume, thinned thickness and enlarged or reduced surface of cortex in some specific brain regions were closely associated with sPD, but all cortical densities were not different. The majority of morphometric alteration of hemisphere cortex was symmetric, but that in the left hemisphere was more significant. The cortical morphometric alterations in the frontal, temporal, parietal, occipital and limbic lobe, cerebellum, caudate and thalamus were closely related to the clinical neural dysfunction (Clinical manifestations of sPD. Our data indicated that the deficits of extensive brain regions involved in the development of sPD, resulted in a series of correspondent complex clinical manifestations in the disease.

  5. Theory of the surface dipole layer and of surface tension in liquids of charged particles

    International Nuclear Information System (INIS)

    Senatore, G.; Tosi, M.P.

    1980-01-01

    The problem of the surface density profiles and of the surface tension of a two-component liquid of charged particles in equilibrium with its vapour is examined. The exact equilibrium conditions for the profiles are given in terms of the inverse response functions of the inhomogeneous fluid, and alternative exact expressions for the surface tension are derived. The use of a density gradient expansion reduces the problem to knowledge of properties of a homogeneous charged fluid on a uniform neutralizing background, in which the total particle density and the charge density are independent variables. Additional simplifications are discussed for special cases for which a perturbative treatment of the surface charge density profile can be developed, and in particular for nearly symmetric ionic liquids and for simple liquid metals. (author)

  6. Periodic subsystem density-functional theory

    International Nuclear Information System (INIS)

    Genova, Alessandro; Pavanello, Michele; Ceresoli, Davide

    2014-01-01

    By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn–Sham DFT. To date, however, FDE has been employed to molecular systems only. Periodic systems, such as metals, semiconductors, and other crystalline solids have been outside the applicability of FDE, mostly because of the lack of a periodic FDE implementation. To fill this gap, in this work we aim at extending FDE to treat subsystems of molecular and periodic character. This goal is achieved by a dual approach. On one side, the development of a theoretical framework for periodic subsystem DFT. On the other, the realization of the method into a parallel computer code. We find that periodic FDE is capable of reproducing total electron densities and (to a lesser extent) also interaction energies of molecular systems weakly interacting with metallic surfaces. In the pilot calculations considered, we find that FDE fails in those cases where there is appreciable density overlap between the subsystems. Conversely, we find FDE to be in semiquantitative agreement with Kohn–Sham DFT when the inter-subsystem density overlap is low. We also conclude that to make FDE a suitable method for describing molecular adsorption at surfaces, kinetic energy density functionals that go beyond the GGA level must be employed

  7. Periodic subsystem density-functional theory

    Science.gov (United States)

    Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele

    2014-11-01

    By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn-Sham DFT. To date, however, FDE has been employed to molecular systems only. Periodic systems, such as metals, semiconductors, and other crystalline solids have been outside the applicability of FDE, mostly because of the lack of a periodic FDE implementation. To fill this gap, in this work we aim at extending FDE to treat subsystems of molecular and periodic character. This goal is achieved by a dual approach. On one side, the development of a theoretical framework for periodic subsystem DFT. On the other, the realization of the method into a parallel computer code. We find that periodic FDE is capable of reproducing total electron densities and (to a lesser extent) also interaction energies of molecular systems weakly interacting with metallic surfaces. In the pilot calculations considered, we find that FDE fails in those cases where there is appreciable density overlap between the subsystems. Conversely, we find FDE to be in semiquantitative agreement with Kohn-Sham DFT when the inter-subsystem density overlap is low. We also conclude that to make FDE a suitable method for describing molecular adsorption at surfaces, kinetic energy density functionals that go beyond the GGA level must be employed.

  8. Gas-phase formaldehyde adsorption isotherm studies on activated carbon: correlations of adsorption capacity to surface functional group density.

    Science.gov (United States)

    Carter, Ellison M; Katz, Lynn E; Speitel, Gerald E; Ramirez, David

    2011-08-01

    Formaldehyde (HCHO) adsorption isotherms were developed for the first time on three activated carbons representing one activated carbon fiber (ACF) cloth, one all-purpose granular activated carbon (GAC), and one GAC commercially promoted for gas-phase HCHO removal. The three activated carbons were evaluated for HCHO removal in the low-ppm(v) range and for water vapor adsorption from relative pressures of 0.1-0.9 at 26 °C where, according to the IUPAC isotherm classification system, the adsorption isotherms observed exhibited Type V behavior. A Type V adsorption isotherm model recently proposed by Qi and LeVan (Q-L) was selected to model the observed adsorption behavior because it reduces to a finite, nonzero limit at low partial pressures and it describes the entire range of adsorption considered in this study. The Q-L model was applied to a polar organic adsorbate to fit HCHO adsorption isotherms for the three activated carbons. The physical and chemical characteristics of the activated carbon surfaces were characterized using nitrogen adsorption isotherms, X-ray photoelectron spectroscopy (XPS), and Boehm titrations. At low concentrations, HCHO adsorption capacity was most strongly related to the density of basic surface functional groups (SFGs), while water vapor adsorption was most strongly influenced by the density of acidic SFGs.

  9. Surface and sub-surface thermal oxidation of thin ruthenium films

    Energy Technology Data Exchange (ETDEWEB)

    Coloma Ribera, R.; Kruijs, R. W. E. van de; Yakshin, A. E.; Bijkerk, F. [MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Kokke, S.; Zoethout, E. [FOM Dutch Institute for Fundamental Energy Research (DIFFER), P.O. Box 1207, 3430 BE Nieuwegein (Netherlands)

    2014-09-29

    A mixed 2D (film) and 3D (nano-column) growth of ruthenium oxide has been experimentally observed for thermally oxidized polycrystalline ruthenium thin films. Furthermore, in situ x-ray reflectivity upon annealing allowed the detection of 2D film growth as two separate layers consisting of low density and high density oxides. Nano-columns grow at the surface of the low density oxide layer, with the growth rate being limited by diffusion of ruthenium through the formed oxide film. Simultaneously, with the growth of the columns, sub-surface high density oxide continues to grow limited by diffusion of oxygen or ruthenium through the oxide film.

  10. On the Control of the Fixed Charge Densities in Al2O3-Based Silicon Surface Passivation Schemes.

    Science.gov (United States)

    Simon, Daniel K; Jordan, Paul M; Mikolajick, Thomas; Dirnstorfer, Ingo

    2015-12-30

    A controlled field-effect passivation by a well-defined density of fixed charges is crucial for modern solar cell surface passivation schemes. Al2O3 nanolayers grown by atomic layer deposition contain negative fixed charges. Electrical measurements on slant-etched layers reveal that these charges are located within a 1 nm distance to the interface with the Si substrate. When inserting additional interface layers, the fixed charge density can be continuously adjusted from 3.5 × 10(12) cm(-2) (negative polarity) to 0.0 and up to 4.0 × 10(12) cm(-2) (positive polarity). A HfO2 interface layer of one or more monolayers reduces the negative fixed charges in Al2O3 to zero. The role of HfO2 is described as an inert spacer controlling the distance between Al2O3 and the Si substrate. It is suggested that this spacer alters the nonstoichiometric initial Al2O3 growth regime, which is responsible for the charge formation. On the basis of this charge-free HfO2/Al2O3 stack, negative or positive fixed charges can be formed by introducing additional thin Al2O3 or SiO2 layers between the Si substrate and this HfO2/Al2O3 capping layer. All stacks provide very good passivation of the silicon surface. The measured effective carrier lifetimes are between 1 and 30 ms. This charge control in Al2O3 nanolayers allows the construction of zero-fixed-charge passivation layers as well as layers with tailored fixed charge densities for future solar cell concepts and other field-effect based devices.

  11. Surface chemistry and density distribution influence on visible luminescence of silicon quantum dots: an experimental and theoretical approach.

    Science.gov (United States)

    Dutt, Ateet; Matsumoto, Yasuhiro; Santana-Rodríguez, G; Ramos, Estrella; Monroy, B Marel; Santoyo Salazar, J

    2017-01-04

    The impact of the surface reconstruction of the density distribution and photoluminescence of silicon quantum dots (QDs) embedded in a silicon oxide matrix (SiO x ) has been studied. Annealing treatments carried out on the as-deposited samples provoked the effusion of hydrogen species. Moreover, depending on the surrounding density and coalescence of QDs, they resulted in a change in the average size of the particles depending on the initial local environment. The shift in the luminescence spectra all over the visible region (blue, green and red) shows a strong dependence on the resultant change in the size and/or the passivation environment of QDs. Density functional theoretical (DFT) calculations support this fact and explain the possible electronic transitions (HOMO-LUMO gap) involved. Passivation in the presence of oxygen species lowers the band gap of Si 29 and Si 35 nanoclusters up to 1.7 eV, whereas, surface passivation in the environment of hydrogen species increases the band gap up to 4.4 eV. These results show a good agreement with the quantum confinement model described in this work and explain the shift in the luminescence all over the visible region. The results reported here offer vital insight into the mechanism of emission from silicon quantum dots which has been one of the most debated topics in the last two decades. QDs with multiple size distribution in different local environments (band gap) observed in this work could be used for the fabrication of light emission diodes (LEDs) or shift-conversion thin films in third generation efficient tandem solar cells for the maximum absorption of the solar spectrum in different wavelength regions.

  12. Dissimilarities of reduced density matrices and eigenstate thermalization hypothesis

    Science.gov (United States)

    He, Song; Lin, Feng-Li; Zhang, Jia-ju

    2017-12-01

    We calculate various quantities that characterize the dissimilarity of reduced density matrices for a short interval of length ℓ in a two-dimensional (2D) large central charge conformal field theory (CFT). These quantities include the Rényi entropy, entanglement entropy, relative entropy, Jensen-Shannon divergence, as well as the Schatten 2-norm and 4-norm. We adopt the method of operator product expansion of twist operators, and calculate the short interval expansion of these quantities up to order of ℓ9 for the contributions from the vacuum conformal family. The formal forms of these dissimilarity measures and the derived Fisher information metric from contributions of general operators are also given. As an application of the results, we use these dissimilarity measures to compare the excited and thermal states, and examine the eigenstate thermalization hypothesis (ETH) by showing how they behave in high temperature limit. This would help to understand how ETH in 2D CFT can be defined more precisely. We discuss the possibility that all the dissimilarity measures considered here vanish when comparing the reduced density matrices of an excited state and a generalized Gibbs ensemble thermal state. We also discuss ETH for a microcanonical ensemble thermal state in a 2D large central charge CFT, and find that it is approximately satisfied for a small subsystem and violated for a large subsystem.

  13. MODELING THE ANOMALY OF SURFACE NUMBER DENSITIES OF GALAXIES ON THE GALACTIC EXTINCTION MAP DUE TO THEIR FIR EMISSION CONTAMINATION

    Energy Technology Data Exchange (ETDEWEB)

    Kashiwagi, Toshiya; Suto, Yasushi; Taruya, Atsushi; Yahata, Kazuhiro [Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan); Kayo, Issha [Department of Physics, Toho University, Funabashi, Chiba 274-8510 (Japan); Nishimichi, Takahiro, E-mail: kashiwagi@utap.phys.s.u-tokyo.ac.jp [Institute for the Physics and Mathematics of the Universe, University of Tokyo, Kashiwa, Chiba 277-8568 (Japan)

    2015-02-01

    The most widely used Galactic extinction map is constructed assuming that the observed far-infrared (FIR) fluxes come entirely from Galactic dust. According to the earlier suggestion by Yahata et al., we consider how FIR emission of galaxies affects the SFD map. We first compute the surface number density of Sloan Digital Sky Survey (SDSS) DR7 galaxies as a function of the r-band extinction, A {sub r,} {sub SFD}. We confirm that the surface densities of those galaxies positively correlate with A {sub r,} {sub SFD} for A {sub r,} {sub SFD} < 0.1, as first discovered by Yahata et al. for SDSS DR4 galaxies. Next we construct an analytical model to compute the surface density of galaxies, taking into account the contamination of their FIR emission. We adopt a log-normal probability distribution for the ratio of 100 μm and r-band luminosities of each galaxy, y ≡ (νL){sub 100} {sub μm}/(νL) {sub r}. Then we search for the mean and rms values of y that fit the observed anomaly, using the analytical model. The required values to reproduce the anomaly are roughly consistent with those measured from the stacking analysis of SDSS galaxies. Due to the limitation of our statistical modeling, we are not yet able to remove the FIR contamination of galaxies from the extinction map. Nevertheless, the agreement with the model prediction suggests that the FIR emission of galaxies is mainly responsible for the observed anomaly. Whereas the corresponding systematic error in the Galactic extinction map is 0.1-1 mmag, it is directly correlated with galaxy clustering and thus needs to be carefully examined in precision cosmology.

  14. Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors

    KAUST Repository

    Ryno, Sean

    2016-05-16

    The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two representative organic semiconductors, tetracene and rubrene, and evaluate their polarization energies in the bulk and at the organic-vacuum interface using a polarizable force field that accounts for induced-dipole and quadrupole interactions. Though both oligoacenes pack in a herringbone motif, the tetraphenyl substituents on the tetracene backbone of rubrene alter greatly the nature of the packing. The resulting change in relative orientations of neighboring molecules is found to reduce the bulk polarization energy of holes in rubrene by some 0.3 eV when compared to tetracene. The consideration of model organic-vacuum interfaces highlights the significant variation in the electrostatic environment for a charge carrier at a surface although the net change in polarization energy is small; interestingly, the environment of a charge even just one layer removed from the surface can be viewed already as representative of the bulk. Overall, it is found that in these herringbone-type layered crystals the polarization energy has a much stronger dependence on the intralayer packing density than interlayer packing density.

  15. The role of collective self-gravity in the nonlinear evolution of viscous overstability in Saturn's rings.

    Science.gov (United States)

    Lehmann, Marius; Schmidt, Jürgen; Salo, Heikki

    2017-06-01

    We investigate the influence of collective self-gravity forces on the nonlinear evolution of the viscous overstability in Saturn's dense rings. Local N-body simulations, incorporating vertical and radial collective self-gravity are performed. Vertical self-gravity is mimicked through an increased frequency of vertical oscillations, while radial self-gravity is approximated by solving the Poisson equation for a thin disk in Fourier space. Direct particle-particle forces are omitted, while the magnitude of radial self gravity is controlled by assigning a variable surface mass density to the system's homogeneous ground state. We compare our simulations with large-scale isothermal and non-isothermal hydrodynamic model calculations, including radial self-gravity and employing transport coefficients derived in Salo et al. (2001). We concentrate on optical depths τ=1.5-2, appropriate to model Saturn's dense rings. Our isothermal and non isothermal hydrodynamic results in the limit of vanishing self-gravity compare very well with the studies of Latter&Ogilvie (2010) and Rein&latter (2013), respectively.With non-vanishing radial self-gravity we find that the wavelengths of saturated overstable wave trains are located in close vicinity of the local minimum of the nonlinear dispersion relation for a particular surface density. Good agreement is found between non-isothermal hydrodynamics and N-body simulations for disks with strong radial self-gravity, while the largest deviations occur for a weak but non-vanishing self-gravity.The resulting saturation wavelengths of the viscous overstability for moderate and strong radial self-gravity (λ~ 200-300m) agree reasonably well with the length scale of periodic micro structure in Saturn's inner A and B ring, as found by Cassini.

  16. A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Shields, Ashley E. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Santos-Carballal, David [School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom); Leeuw, Nora H. de, E-mail: DeLeeuwN@Cardiff.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom)

    2016-05-15

    Thorium dioxide is of significant research interest for its use as a nuclear fuel, particularly as part of mixed oxide fuels. We present the results of a density functional theory (DFT) study of uranium-substituted thorium dioxide, where we found that increasing levels of uranium substitution increases the covalent nature of the bonding in the bulk ThO{sub 2} crystal. Three low Miller index surfaces have been simulated and we propose the Wulff morphology for a ThO{sub 2} particle and STM images for the (100), (110), and (111) surfaces studied in this work. We have also calculated the adsorption of a uranium atom and the U adatom is found to absorb strongly on all three surfaces, with particular preference for the less stable (100) and (110) surfaces, thus providing a route to the incorporation of uranium into a growing thoria particle. - Highlights: • Uranium substitution in ThO{sub 2} is found to increase the covalent nature of the ionic bonding. • The (111), (110), and (100) surfaces of ThO{sub 2} are studied and the particle morphology is proposed. • STM images of the (111), (110), and (100) surfaces of ThO{sub 2} are simulated. • Uranium adsorption on the major surfaces of ThO{sub 2} is studied.

  17. Asymptotic density and effective negligibility

    Science.gov (United States)

    Astor, Eric P.

    In this thesis, we join the study of asymptotic computability, a project attempting to capture the idea that an algorithm might work correctly in all but a vanishing fraction of cases. In collaboration with Hirschfeldt and Jockusch, broadening the original investigation of Jockusch and Schupp, we introduce dense computation, the weakest notion of asymptotic computability (requiring only that the correct answer is produced on a set of density 1), and effective dense computation, where every computation halts with either the correct answer or (on a set of density 0) a symbol denoting uncertainty. A few results make more precise the relationship between these notions and work already done with Jockusch and Schupp's original definitions of coarse and generic computability. For all four types of asymptotic computation, including generic computation, we demonstrate that non-trivial upper cones have measure 0, building on recent work of Hirschfeldt, Jockusch, Kuyper, and Schupp in which they establish this for coarse computation. Their result transfers to yield a minimal pair for relative coarse computation; we generalize their method and extract a similar result for relative dense computation (and thus for its corresponding reducibility). However, all of these notions of near-computation treat a set as negligible iff it has asymptotic density 0. Noting that this definition is not computably invariant, this produces some failures of intuition and a break with standard expectations in computability theory. For instance, as shown by Hamkins and Miasnikov, the halting problem is (in some formulations) effectively densely computable, even in polynomial time---yet this result appears fragile, as indicated by Rybalov. In independent work, we respond to this by strengthening the approach of Jockusch and Schupp to avoid such phenomena; specifically, we introduce a new notion of intrinsic asymptotic density, invariant under computable permutation, with rich relations to both

  18. Density wave induced star formation: The optical surface brightness of galaxies

    International Nuclear Information System (INIS)

    Bash, F.N.

    1979-01-01

    A model for the galactic orbits of molecular clouds has been devised. The molecular clouds are assumed to be launched from the two-armed spiral-shock wave, to orbit in the Galaxy like ballistic particles with gravitational perturbations due to the density-wave spiral-potential, and each cloud is assumed to produce a cluster of stars. Each cloud radiates detectable 12 C 16 O (J=0→1) spectral line radiation from birth for 40 million years. Stars are seen in the cloud about 25 million years after birth, and the star cluster is assumed to continue in ballistic orbit around the Galaxy.The model has been tested by comparing its predicted velocity-longitude diagram for CO against that observed for the Galaxy and by comparing the model's predicted distribution of light in the UBV photometric bands against observed surface photometry for Sb and SC galaxies. The interpolation of the initial velocities in the model was corrected, and the model was examined to see whether preshock or postshock initial velocities better fit the observations. The model gives very good general agreement and reproduces many of the features observed in the CO velocity-longitude diagram

  19. MEASURING PROTOPLANETARY DISK GAS SURFACE DENSITY PROFILES WITH ALMA

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Jonathan P.; McPartland, Conor, E-mail: jpw@ifa.hawaii.edu [Institute for Astronomy, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)

    2016-10-10

    The gas and dust are spatially segregated in protoplanetary disks due to the vertical settling and radial drift of large grains. A fuller accounting of the mass content and distribution in disks therefore requires spectral line observations. We extend the modeling approach presented in Williams and Best to show that gas surface density profiles can be measured from high fidelity {sup 13}CO integrated intensity images. We demonstrate the methodology by fitting ALMA observations of the HD 163296 disk to determine a gas mass, M {sub gas} = 0.048 M {sub ⊙}, and accretion disk characteristic size R {sub c} = 213 au and gradient γ = 0.39. The same parameters match the C{sup 18}O 2–1 image and indicate an abundance ratio [{sup 12}CO]/[C{sup 18}O] of 700 independent of radius. To test how well this methodology can be applied to future line surveys of smaller, lower mass T Tauri disks, we create a large {sup 13}CO 2–1 image library and fit simulated data. For disks with gas masses 3–10 M {sub Jup} at 150 pc, ALMA observations with a resolution of 0.″2–0.″3 and integration times of ∼20 minutes allow reliable estimates of R {sub c} to within about 10 au and γ to within about 0.2. Economic gas imaging surveys are therefore feasible and offer the opportunity to open up a new dimension for studying disk structure and its evolution toward planet formation.

  20. Self-similar expansion of dusts in a plasma

    International Nuclear Information System (INIS)

    Luo, H.; Yu, M.Y.

    1992-01-01

    The self-similar expansion of two species of dust particles in an equilibrium plasma is investigated by means of fluid as well as Vlasov theories. It is found that under certain conditions the density of the dust with the smaller charge-to-mass ratio can vanish at a finite value of the self-similar variable, while the density of the remaining dust species attains a plateau. The kinetic theory predicts a secondary decay in which the latter density eventually also vanishes

  1. Influence of non-thermal plasma forming gases on improvement of surface properties of low density polyethylene (LDPE)

    Energy Technology Data Exchange (ETDEWEB)

    Pandiyaraj, K. Navaneetha, E-mail: dr.knpr@gmail.com [Surface Engineering Laboratory, Department of Physics, Sri Shakthi Institute of Engineering and Technology, L and T by pass, Chinniyam Palayam (post), Coimbatore 641062 (India); Deshmukh, R.R. [Department of Physics, Institute of Chemical Technology, Matunga, Mumbai 400 019 (India); Ruzybayev, Inci; Shah, S. Ismat [Department of Physics and Astronomy, Department of Materials Science and Engineering, University of Delaware, 208 Dupont Hall, Newark, NJ (United States); Su, Pi-Guey [Department of Chemistry, Chinese Culture University, Taipei 111, Taiwan (China); Halleluyah, Jr. mercy; Halim, Ahmad Sukari [School of Medical Sciences, Health Campus Universiti Sains Malaysia, 16150 Kubang Kerian, Kelantan (Malaysia)

    2014-07-01

    Owing to the superior physico-chemical properties, the low density polyethylene (LDPE) has been widely used in the various industrial applications; especially in biomedical field for artificial organs, medical devices and disposable clinical apparatus. However, the poor anticoagulation property is one of the main drawbacks of the LDPE due to its poor surface properties. Therefore, in this paper we present the effect of plasma forming gases such as argon (Ar), oxygen (O{sub 2}), air and argon-oxygen (Ar + O{sub 2}) mixture on improvement of the surfaces properties of LDPE film using direct current (dc) excited glow discharge plasma. Contact angle with evaluation of surface energy, X-ray photo electron spectroscopy (XPS), atomic force microscopy (AFM) techniques were used to examine the change in surface properties such as hydrophilicity, chemical composition and surface topography, respectively. Furthermore, the hydrophobic recovery of the plasma treated LDPE was analyzed using ageing effect under different storage condition i.e. in air and water. The adhesive strength of the LDPE films was determined using T-peel test. In vitro tests were used to examine the blood compatibility of the surface modified LDPE films. It has been found that the hydrophilicity of the various plasma treated LDPE films was improved significantly due to the formation of oxygen containing polar groups such as OH, COO, C-O, C=O as confirmed by contact angle and XPS analysis. AFM revealed the changes in surface topography of plasma processed films. The gas mixture Ar + O{sub 2} plasma influenced the remarkable improvement on the surface properties of a LDPE film compared with other gaseous plasmas. These physiochemical changes induced by the plasma on the surface facilitate to improve the adhesive strength and blood compatibility.

  2. Influence of non-thermal plasma forming gases on improvement of surface properties of low density polyethylene (LDPE)

    International Nuclear Information System (INIS)

    Pandiyaraj, K. Navaneetha; Deshmukh, R.R.; Ruzybayev, Inci; Shah, S. Ismat; Su, Pi-Guey; Halleluyah, Jr. mercy; Halim, Ahmad Sukari

    2014-01-01

    Owing to the superior physico-chemical properties, the low density polyethylene (LDPE) has been widely used in the various industrial applications; especially in biomedical field for artificial organs, medical devices and disposable clinical apparatus. However, the poor anticoagulation property is one of the main drawbacks of the LDPE due to its poor surface properties. Therefore, in this paper we present the effect of plasma forming gases such as argon (Ar), oxygen (O 2 ), air and argon-oxygen (Ar + O 2 ) mixture on improvement of the surfaces properties of LDPE film using direct current (dc) excited glow discharge plasma. Contact angle with evaluation of surface energy, X-ray photo electron spectroscopy (XPS), atomic force microscopy (AFM) techniques were used to examine the change in surface properties such as hydrophilicity, chemical composition and surface topography, respectively. Furthermore, the hydrophobic recovery of the plasma treated LDPE was analyzed using ageing effect under different storage condition i.e. in air and water. The adhesive strength of the LDPE films was determined using T-peel test. In vitro tests were used to examine the blood compatibility of the surface modified LDPE films. It has been found that the hydrophilicity of the various plasma treated LDPE films was improved significantly due to the formation of oxygen containing polar groups such as OH, COO, C-O, C=O as confirmed by contact angle and XPS analysis. AFM revealed the changes in surface topography of plasma processed films. The gas mixture Ar + O 2 plasma influenced the remarkable improvement on the surface properties of a LDPE film compared with other gaseous plasmas. These physiochemical changes induced by the plasma on the surface facilitate to improve the adhesive strength and blood compatibility.

  3. Processes of H{sub 2} adsorption on Fe(1 1 0) surface: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Weiwei; Peng, Liang; Peng, Daoling [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Gu, Feng Long, E-mail: gu@scnu.edu.cn [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Liu, Jun [Material Design and Simulation Technology Co. Ltd., Room 1716, V-Faction, 10 Vanke, 2 Ring Road of North Section, Chengdu (China)

    2014-03-01

    Highlights: • The hydrogen coverages for H{sub 2} adsorption on Fe(1 1 0) surface ranging from 0.125 to 1.000 are prepared by using different surface supercells. • With the reduction of coverage, the average iron atomic energy is increased and the adsorption energy is decreased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. • The most stable absorption site is found to be the on-top site. • DFT calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. • The final state is H{sub 2} molecule dissociated into two hydrogen atoms interacting with surface iron atoms to form stable Fe-H bonds. - Abstract: Processes of H{sub 2} adsorption on Fe(1 1 0) surface have been studied by the density functional theory, properties such as surface structure, adsorption position, and adsorption energies are discussed as well. To investigate the atomic geometries and stability under different hydrogen coverages for this adsorption, the hydrogen coverages ranging from 0.125 to 1.000 are prepared by using different surface supercells. It is found that with the reduction of coverage, the average iron atomic energy and the adsorption energy are increased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. The most stable absorption site is found to be the on-top site. Our calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. The final state is H{sub 2} molecule dissociated into two hydrogen atoms and interacting with surface iron atoms to form stable Fe-H bonds.

  4. Apparent contact angle and contact angle hysteresis on liquid infused surfaces.

    Science.gov (United States)

    Semprebon, Ciro; McHale, Glen; Kusumaatmaja, Halim

    2016-12-21

    We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a dependence on the relative size between the droplet and its surrounding wetting ridge formed by the infusing liquid. We derive a closed form expression for the contact angle in the limit of vanishing wetting ridge, and compute the correction for small but finite ridge, which corresponds to an effective line tension term. We also predict contact angle hysteresis on liquid infused surfaces generated by the pinning of the contact lines by the surface corrugations. Our analytical expressions for both the apparent contact angle and contact angle hysteresis can be interpreted as 'weighted sums' between the contact angles of the infusing liquid relative to the droplet and surrounding gas phases, where the weighting coefficients are given by ratios of the fluid surface tensions.

  5. Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

    DEFF Research Database (Denmark)

    Kumpf, C.; Müller, A.; Weigand, W.

    2003-01-01

    The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

  6. User's guide for SLWDN9, a code for calculating flux-surfaced-averaging of alpha densities, currents, and heating in non-circular tokamaks

    International Nuclear Information System (INIS)

    Hively, L.M.; Miley, G.M.

    1980-03-01

    The code calculates flux-surfaced-averaged values of alpha density, current, and electron/ion heating profiles in realistic, non-circular tokamak plasmas. The code is written in FORTRAN and execute on the CRAY-1 machine at the Magnetic Fusion Energy Computer Center

  7. Predicting Sediment Thickness on Vanished Ocean Crust Since 200 Ma

    Science.gov (United States)

    Dutkiewicz, A.; Müller, R. D.; Wang, X.; O'Callaghan, S.; Cannon, J.; Wright, N. M.

    2017-12-01

    Tracing sedimentation through time on existing and vanished seafloor is imperative for constraining long-term eustasy and for calculating volumes of subducted deep-sea sediments that contribute to global geochemical cycles. We present regression algorithms that incorporate the age of the ocean crust and the mean distance to the nearest passive margin to predict sediment thicknesses and long-term decompacted sedimentation rates since 200 Ma. The mean sediment thickness decreases from ˜220 m at 200 Ma to a minimum of ˜140 m at 130 Ma, reflecting the replacement of old Panthalassic ocean floor with young sediment-poor mid-ocean ridges, followed by an increase to ˜365 m at present-day. This increase reflects the accumulation of sediments on ageing abyssal plains proximal to passive margins, coupled with a decrease in the mean distance of any parcel of ocean crust to the nearest passive margin by over 700 km, and a doubling of the total passive margin length at present-day. Mean long-term sedimentation rates increase from ˜0.5 cm/ky at 160 Ma to over 0.8 cm/ky today, caused by enhanced terrigenous sediment influx along lengthened passive margins, superimposed by the onset of ocean-wide carbonate sedimentation. Our predictive algorithms, coupled to a plate tectonic model, provide a framework for constraining the seafloor sediment-driven eustatic sea-level component, which has grown from ˜80 to 210 m since 120 Ma. This implies a long-term sea-level rise component of 130 m, partly counteracting the contemporaneous increase in ocean basin depth due to progressive crustal ageing.

  8. Density functional theory study of the adsorption and dissociation of O{sub 2} on CuO(1 1 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shujuan, E-mail: sunshujuan@hebut.edu.cn [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China); Li, Chunyu [Science and Technology Innovation Center, Datang Technologies Industry Group Company Limited, Beijing (China); Zhang, Dongsheng [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China); Wang, Yanji, E-mail: yjwang@hebut.edu.cn [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China)

    2015-04-01

    Highlights: • The dissociation mechanisms of O{sub 2} on the CuO(1 1 1) surface have been obtained. • The energy barriers and reaction energies are calculated. • The presence of oxygen vacancy can obviously improve the catalytic activity of CuO. - Abstract: Density functional theory (DFT) have been performed to investigate the adsorption and dissociation of O{sub 2} on the perfect and oxygen-deficient CuO(1 1 1) surfaces. The calculated results indicate that the bridge site of two Cu{sub sub} atoms is the most favorable site for O adsorption on the perfect CuO(1 1 1) surface. But on the oxygen-deficient CuO(1 1 1) surface, the O atom adsorbed on O{sub vacancy} site after optimization. On the perfect and oxygen-deficient CuO(1 1 1) surfaces, the O{sub 2} are all paralleling to the surface after optimization. Possible dissociation pathways of molecularly adsorbed O{sub 2} on the two surfaces are identified. The calculated results suggest that the presence of oxygen vacancy exhibits a strong chemical reactivity towards the dissociation of O{sub 2} and can obviously improve the catalytic activity of CuO.

  9. Solvation in atomic liquids: connection between Gaussian field theory and density functional theory

    Directory of Open Access Journals (Sweden)

    V. Sergiievskyi

    2017-12-01

    Full Text Available For the problem of molecular solvation, formulated as a liquid submitted to the external potential field created by a molecular solute of arbitrary shape dissolved in that solvent, we draw a connection between the Gaussian field theory derived by David Chandler [Phys. Rev. E, 1993, 48, 2898] and classical density functional theory. We show that Chandler's results concerning the solvation of a hard core of arbitrary shape can be recovered by either minimising a linearised HNC functional using an auxiliary Lagrange multiplier field to impose a vanishing density inside the core, or by minimising this functional directly outside the core — indeed a simpler procedure. Those equivalent approaches are compared to two other variants of DFT, either in the HNC, or partially linearised HNC approximation, for the solvation of a Lennard-Jones solute of increasing size in a Lennard-Jones solvent. Compared to Monte-Carlo simulations, all those theories give acceptable results for the inhomogeneous solvent structure, but are completely out-of-range for the solvation free-energies. This can be fixed in DFT by adding a hard-sphere bridge correction to the HNC functional.

  10. Vanishing testes syndrome-related osteoporosis and high cardio-metabolic risk in an adult male with long term untreated hypergonadotropic hypogonadism.

    Science.gov (United States)

    Carsote, Mara; Capatina, Cristina; Valea, Ana; Dumitrascu, Anda

    2016-02-01

    The male hypogonadism-related bone mass loss is often under diagnosed. Peak bone mass is severely affected if the hypogonadism occurs during puberty and is left untreated. We present an interesting; almost bizarre case of a male with non-functional testes early during childhood and undiagnosed and untreated hypogonadism until his fifth decade of life. Forty six year male is referred for goitre, complaining of back pain. Phenotype suggested intersexuality: gynoid proportions, micropenis, no palpable testes into the scrotum, no facial or truncal hair. His medical history had been unremarkable until the previous year when primary hypothyroidism was diagnosed and levothyroxine replacement was initiated. Later, he was diagnosed with ischemic heart disease, with inaugural unstable angina. On admission, the testosterone was 0.2 ng/mL (normal: 1.7-7.8 ng/mL), FSH markedly increased (56 mUI/mL), with normal adrenal axis, and TSH (under thyroxine replacement). High bone turnover markers, and blood cholesterol, and impaired glucose tolerance were diagnosed. The testes were not present in the scrotum. Abdominal computed tomography suggested bilateral masses of 1.6 cm diameter within the abdominal fat that were removed but no gonadal tissue was confirmed histopathologically. Vanishing testes syndrome was confirmed. The central DXA showed lumbar bone mineral density of 0.905 g/cm2, Z-score of -2.9SD. The spine profile X-Ray revealed multiple thoracic vertebral fractures. Alendronate therapy together with vitamin D and calcium supplements and trans-dermal testosterone were started. Four decades of hypogonadism associate increased cardiac risk, as well as decreased bone mass and high fracture risk.

  11. Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility.

    Science.gov (United States)

    Núñez-Rojas, Edgar; Aguilar-Pineda, Jorge Alberto; Pérez de la Luz, Alexander; de Jesús González, Edith Nadir; Alejandre, José

    2018-02-08

    The transferable potential for a phase equilibria force field in its united-atom version, TraPPE_UA, is evaluated for 41 polar liquids that include alcohols, thiols, ethers, sulfides, aldehydes, ketones, and esters to determine its ability to reproduce experimental properties that were not included in the parametrization procedure. The intermolecular force field parameters for pure components were fit to reproduce experimental boiling temperature, vapor-liquid coexisting densities, and critical point (temperature, density, and pressure) using Monte Carlo simulations in different ensembles. The properties calculated in this work are liquid density, heat of vaporization, dielectric constant, surface tension, volumetric expansion coefficient, and isothermal compressibility. Molecular dynamics simulations were performed in the gas and liquid phases, and also at the liquid-vapor interface. We found that relative error between calculated and experimental data is 1.2% for density, 6% for heat of vaporization, and 6.2% for surface tension, in good agreement with the experimental data. The dielectric constant is systematically underestimated, and the relative error is 37%. Evaluating the performance of the force field to reproduce the volumetric expansion coefficient and isothermal compressibility requires more experimental data.

  12. Density, viscosity, surface tension, and molar volume of propylene glycol + water mixtures from 293 to 323 K and correlations by the Jouyban–Acree model

    Directory of Open Access Journals (Sweden)

    Ibrahim S. Khattab

    2017-02-01

    Full Text Available Density, viscosity, surface tension and molar volume of propylene glycol + water mixtures at 293, 298, 303, 308, 313, 318, and 323 K are reported, compared with the available literature data and the Jouyban–Acree model was used for mathematical correlation of the data. The mean relative deviation (MRD was used as an error criterion and the MRD values for data correlation of density, viscosity, surface tension and molar volume at different investigated temperatures are 0.1 ± 0.1%, 7.6 ± 6.4%, 3.4 ± 3.7%, and 0.4 ± 0.4%, respectively. The corresponding MRDs for the predicted properties after training the model using the experimental data at 298 K are 0.1 ± 0.2%, 12.8 ± 9.3%, 4.7 ± 4.1% and 0.6 ± 0.5%, respectively for density, viscosity, surface tension, and molar volume data.

  13. Group contribution and parachor analysis of experimental data on densities and surface tension for six ionic liquids with the [PF6] anion

    Czech Academy of Sciences Publication Activity Database

    Klomfar, Jaroslav; Součková, Monika; Pátek, Jaroslav

    2015-01-01

    Roč. 385, January (2015), s. 62-71 ISSN 0378-3812 R&D Projects: GA ČR GA13-00145S Institutional support: RVO:61388998 Keywords : ionic liquid * density * surface tension * odd-even effect Subject RIV: BJ - Thermodynamics Impact factor: 1.846, year: 2015

  14. Getting superstring amplitudes by degenerating Riemann surfaces

    International Nuclear Information System (INIS)

    Matone, Marco; Volpato, Roberto

    2010-01-01

    We explicitly show how the chiral superstring amplitudes can be obtained through factorisation of the higher genus chiral measure induced by suitable degenerations of Riemann surfaces. This powerful tool also allows to derive, at any genera, consistency relations involving the amplitudes and the measure. A key point concerns the choice of the local coordinate at the node on degenerate Riemann surfaces that greatly simplifies the computations. As a first application, starting from recent ansaetze for the chiral measure up to genus five, we compute the chiral two-point function for massless Neveu-Schwarz states at genus two, three and four. For genus higher than three, these computations include some new corrections to the conjectural formulae appeared so far in the literature. After GSO projection, the two-point function vanishes at genus two and three, as expected from space-time supersymmetry arguments, but not at genus four. This suggests that the ansatz for the superstring measure should be corrected for genus higher than four.

  15. Obtaining muonic density estimates via application of matrix formalism to proposed surface detector upgrade at the Pierre Auger Observatory

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, David; Engel, Ralph; Roth, Markus [Karlsruhe Institute of Technology, Karlsruhe (Germany); Collaboration: Pierre Auger-Collaboration

    2015-07-01

    Event-by-event identification of cosmic ray primary composition lends itself to enhanced event selection in the search for anisotropic arrival directions. Principally, the number of muons reaching Earth's surface in an extensive air shower is indicative of composition. The Pierre Auger Observatory seeks to capitalize on this axiom by improving reconstructed muonic density estimates via an upgrade to its surface detector array. This upgrade, consisting of placing a scintillator on top of each existing water Cherenkov detector, exploits the differing response of two detectors to muonic and electromagnetic particles. Exploitation of this difference may be expressed in a matrix formalism whose application to simulated proton and iron showers is presented here.

  16. Dielectric properties of nanosilica/low-density polyethylene composites: The surface chemistry of nanoparticles and deep traps induced by nanoparticles

    Directory of Open Access Journals (Sweden)

    S. Ju

    2014-09-01

    Full Text Available Four kinds of nanosilica particles with different surface modification were employed to fabricate low-density polyethylene (LDPE composites using melt mixing and hot molding methods. The surface chemistry of modified nanosilica was analyzed by X-ray photoelectron spectroscopy. All silica nanoparticles were found to suppress the space charge injection and accumulation, increase the volume resistivity, decrease the permittivity and dielectric loss factor at low frequencies, and decrease the dielectric breakdown strength of the LDPE polymers. The modified nanoparticles, in general, showed better dielectric properties than the unmodified ones. It was found that the carrier mobility, calculated from J–V curves using the Mott-Gurney equation, was much lower for the nanocomposites than for the neat LDPE.

  17. Controlling the surface density of DNA on gold by electrically induced desorption.

    Science.gov (United States)

    Arinaga, Kenji; Rant, Ulrich; Knezević, Jelena; Pringsheim, Erika; Tornow, Marc; Fujita, Shozo; Abstreiter, Gerhard; Yokoyama, Naoki

    2007-10-31

    We report on a method to control the packing density of sulfur-bound oligonucleotide layers on metal electrodes by electrical means. In a first step, a dense nucleic acid layer is deposited by self-assembly from solution; in a second step, defined fractions of DNA molecules are released from the surface by applying a series of negative voltage cycles. Systematic investigations of the influence of the applied electrode potentials and oligonucleotide length allow us to identify a sharp desorption onset at -0.65 V versus Ag/AgCl, which is independent of the DNA length. Moreover, our results clearly show the pronounced influence of competitive adsorbents in solution on the desorption behavior, which can prevent the re-adsorption of released DNA molecules, thereby enhancing the desorption efficiency. The method is fully bio-compatible and can be employed to improve the functionality of DNA layers. This is demonstrated in hybridization experiments revealing almost perfect yields for electrically "diluted" DNA layers. The proposed control method is extremely beneficial to the field of DNA-based sensors.

  18. Origin of the quasiparticle peak in the spectral density of Cr(001) surfaces

    Science.gov (United States)

    Peters, L.; Jacob, D.; Karolak, M.; Lichtenstein, A. I.; Katsnelson, M. I.

    2017-12-01

    In the spectral density of Cr(001) surfaces, a sharp resonance close to the Fermi level is observed in both experiment and theory. For the physical origin of this peak, two mechanisms were proposed: a single-particle dz2 surface state renormalized by electron-phonon coupling and an orbital Kondo effect due to the degenerate dx z/dy z states. Despite several experimental and theoretical investigations, the origin is still under debate. In this work, we address this problem by two different approaches of the dynamical mean-field theory: first, by the spin-polarized T -matrix fluctuation exchange approximation suitable for weakly and moderately correlated systems; second, by the noncrossing approximation derived in the limit of weak hybridization (i.e., for strongly correlated systems) capturing Kondo-type processes. By using recent continuous-time quantum Monte Carlo calculations as a benchmark, we find that the high-energy features, everything except the resonance, of the spectrum are captured within the spin-polarized T -matrix fluctuation exchange approximation. More precisely, the particle-particle processes provide the main contribution. For the noncrossing approximation, it appears that spin-polarized calculations suffer from spurious behavior at the Fermi level. Then, we turned to non-spin-polarized calculations to avoid this unphysical behavior. By employing two plausible starting hybridization functions, it is observed that the characteristics of the resonance are crucially dependent on the starting point. It appears that only one of these starting hybridizations could result in an orbital Kondo resonance in the presence of a strong magnetic field like in the Cr(001) surface. It is for a future investigation to first resolve the unphysical behavior within the spin-polarized noncrossing approximation and then check for an orbital Kondo resonance.

  19. Effect of iron on vanadium (001) strained surface magnetism

    Energy Technology Data Exchange (ETDEWEB)

    Elzain, M; Al-Barwani, M; Gismelseed, A; Al-Rawas, A; Yousif, A; Widatallah, H; Bouziane, K; Al-Omari, I, E-mail: elzain@squ.edu.o [Department of Physics, College Of Science, Box 36, Sultan Qaboos University, Al Khod 123 (Oman)

    2010-03-01

    The magnetism of the vanadium (001) surface has been a controversial subject on both theoretical and experiment fronts. Both strongly ferromagnetic and paramagnetic phases were reported. We have used the first principle full-potential linearized-augmented plane waves (FP-LAPW) as implemented in WIEN2k package to study the magnetic properties of strained surfaces of vanadium films as a function of film thickness. We found that for films thicker than about 11 monolayers, the magnetism of the strained surfaces converge to a constant value of about 0.15{mu}{sub B}. Introduction of Fe monolayers and impurities at the centre of the films affects the magnetic structure of thin films but has no influence on the surface magnetism of thicker films. For Fe monolayers positioned at the centre of thick films, the Fe atoms maintain magnetic moment of order 0.86{mu}{sub B}, a quadruple splitting of order -0.3 mm/s and a small negative isomer shift, while an Fe impurity has vanishing hyperfine fields and magnetic moment. In addition we have varied the location of the Fe monolayer and impurity within the V films and found that their position affects the surface magnetism.

  20. Accounting for surface reflectance in the derivation of vertical column densities of NO2 from airborne imaging DOAS

    Science.gov (United States)

    Meier, Andreas Carlos; Schönhardt, Anja; Richter, Andreas; Bösch, Tim; Seyler, André; Constantin, Daniel Eduard; Shaiganfar, Reza; Merlaud, Alexis; Ruhtz, Thomas; Wagner, Thomas; van Roozendael, Michel; Burrows, John. P.

    2016-04-01

    Nitrogen oxides, NOx (NOx = NO + NO2) play a key role in tropospheric chemistry. In addition to their directly harmful effects on the respiratory system of living organisms, they influence the levels of tropospheric ozone and contribute to acid rain and eutrophication of ecosystems. As they are produced in combustion processes, they can serve as an indicator for anthropogenic air pollution. In the late summers of 2014 and 2015, two extensive measurement campaigns were conducted in Romania by several European research institutes, with financial support from ESA. The AROMAT / AROMAT-2 campaigns (Airborne ROmanian Measurements of Aerosols and Trace gases) were dedicated to measurements of air quality parameters utilizing newly developed instrumentation at state-of-the-art. The experiences gained will help to calibrate and validate the measurements taken by the upcoming Sentinel-S5p mission scheduled for launch in 2016. The IUP Bremen contributed to these campaigns with its airborne imaging DOAS (Differential Optical Absorption Spectroscopy) instrument AirMAP (Airborne imaging DOAS instrument for Measurements of Atmospheric Pollution). AirMAP allows retrieving spatial distributions of trace gas columns densities in a stripe below the aircraft. The measurements have a high spatial resolution of approximately 30 x 80 m2 (along x across track) at a typical flight altitude of 3000 m. Supported by the instrumental setup and the large swath, gapless maps of trace gas distributions above a large city, like Bucharest or Berlin, can be acquired within a time window of approximately two hours. These properties make AirMAP a valuable tool for the validation of trace gas measurements from space. DOAS retrievals yield the density of absorbers integrated along the light path of the measurement. The light path is altered with a changing surface reflectance, leading to enhanced / reduced slant column densities of NO2 depending on surface properties. This effect must be considered in