A computer program for lattice-dynamical evaluation of Debye-Waller factors and thermodynamic functions for minerals, starting from empirical force fields

International Nuclear Information System (INIS)

Pilati, T.; Dermartin, F.; Gramaccioli, C.M.

1993-01-01

A wide-purpose computer program has been written (Fortran) for lattice dynamical evaluation of crystallographic and thermodynamic properties of solids, especially minerals or inorganic substances.The program essentially consists of a routine affording first and second derivatives of energy with respect to mass weighted coordinates, properly modulated by a wave vector algorithm, so that diagonalization can immediately follow and arrive at frequencies, density of states, and eventually to thermodynamic functions and Debye-Waller parameters thorough an automatic Brillouin-zone sampling procedure. The input consists of crystallographic data (unit-cell parameters, space group symmetry operations, atomic coordinates), plus atomic charge and empirical parameters, such as force constants or non-bonded atom-atom interaction energy functions in almost any form. It is also possible to obtain the structure corresponding to the energy minimum, or even to work with partial rigid bodies, in order to reduce the order of the dynamical matrices. The program provides for automatic symmetry labelling of the vibrational modes, in order to compare them with the experimental data; there is possibility of improving the empirical functions through a minimization routine. Examples of application and transferability of force fields to a series of minerals are provided. (author)

Quantum scattering of neon from a nanotextured surface

International Nuclear Information System (INIS)

Levi, A C; Huang, C; Allison, W; MacLaren, D A

2009-01-01

Phonon exchange is the usual cause of decoherence in atom-surface scattering. By including quantum effects in the treatment of Debye-Waller scattering, we show that phonon exchange becomes ineffective when the relevant phonon frequencies are high. The result explains the surprising observation of strong elastic scattering of Ne from a Cu(100) surface nanotextured with a c(2 x 2) Li adsorbate structure. We extend a previous model to describe the phonon spectra by an Einstein oscillator component with an admixture of a Debye spectrum. The Einstein oscillator represents the dominant, high frequency vibration of the adsorbate, normal to the surface, while the Debye spectrum represents the substrate contribution. Neon scattering is so slow that exciting the adsorbate mode has a low probability and is impossible if the incident energy is below the threshold. Thus, adsorbate vibrations are averaged out. A theoretical discussion and calculation shows that under such circumstances the vibrations of a light adsorbate do not contribute to the Debye-Waller effect, with the result that Ne scattering at thermal energies is quantum mechanical and largely elastic, explaining the high reflectivity and the diffraction peaks observed experimentally.

Contrast of HOLZ lines in energy-filtered convergent-beam electron diffraction patterns from silicon

International Nuclear Information System (INIS)

Lehmpfuhl, G.; Krahl, D.; Uchida, Y.

1995-01-01

Higher-order Laue-zone (HOLZ) lines were investigated in convergent-beam electron diffraction patterns from silicon near the low-indexed zone axes [100], [110] and [111]. The visibility of these lines depends on the effective structure potentials of the reflections from the first Laue zone depending on their Debye-Waller factor. The contrast of the HOLZ lines is strongly reduced by inelastically scattered electrons. They can be excluded by an imaging Ω filter for energy losses above 2 eV. The diffraction patterns were compared with many-beam calculations. Without absorption, an excellent agreement could be achieved for the [111] and [100] zone axes, while the simulation of the [110] zone-axis pattern needed a calculation with absorption. The reason for this observation is explained in the Bloch-wave picture. Calculations with absorption, however, lead to artefacts in the intensity distribution of the [100] HOLZ pattern. In order to obtain agreement with the experiment, the Debye-Waller factor had to be modified in different ways for the different zone axes. This corresponds to a strong anisotropy of the Debye-Waller factor. To confirm this observation, the temperature dependence of the itensity distributions of the HOLZ patterns was investigated between 50 and 680 K. At room temperature, the parameter D in the Debye-Waller factor exp(-Ds 2 ) was determined as 0.13, 0.26 and 0.55 A 2 for the zone axes [100], [111] and [110], respectively. The reliability of the conclusions is discussed. (orig.)

Diffractive scattering of H atoms from the (001) surface of LiF at 78 K

International Nuclear Information System (INIS)

Caracciolo, G.; Iannotta, S.; Scoles, G.; Valbusa, U.

1980-01-01

We have built an apparatus for the measurement of high resolution diffractive scattering of hydrogen atoms from crystal surfaces. The apparatus comprises a hydrogen atom beam source, a hexapolar magnetic field velocity selector, a variable temperature UHV crystal manipulator, and a rotatable bolometer detector. The diffraction pattern of a beam of hydrogen atoms scattered by a (001) LiF surface at 78 K has been obtained for different angles of incidence and different orientations of the crystal. The Debye--Waller factor has been measured leading to a surface Debye temperature theta/sub S/=550 +- 38 K. The corrugated-hard-wall-with-a-well model of Garibaldi et al. [Surf. Sci. 48, 649 (1975)] has been used for the interpretation of the intensities of the diffracted peaks. By means of a best fit procedure we obtain a main ''corrugation'' parameter xi 0 =0.095 A. By comparison of the data with the theory of Cabrera et al. [Surf. Sci. 19, 70 (1967] at the first order, the strength parameters of a periodic Morse potential have been determined

Robust parameterization of elastic and absorptive electron atomic scattering factors

International Nuclear Information System (INIS)

Peng, L.M.; Ren, G.; Dudarev, S.L.; Whelan, M.J.

1996-01-01

A robust algorithm and computer program have been developed for the parameterization of elastic and absorptive electron atomic scattering factors. The algorithm is based on a combined modified simulated-annealing and least-squares method, and the computer program works well for fitting both elastic and absorptive atomic scattering factors with five Gaussians. As an application of this program, the elastic electron atomic scattering factors have been parameterized for all neutral atoms and for s up to 6 A -1 . Error analysis shows that the present results are considerably more accurate than the previous analytical fits in terms of the mean square value of the deviation between the numerical and fitted scattering factors. Parameterization for absorptive atomic scattering factors has been made for 17 important materials with the zinc blende structure over the temperature range 1 to 1000 K, where appropriate, and for temperature ranges for which accurate Debye-Waller factors are available. For other materials, the parameterization of the absorptive electron atomic scattering factors can be made using the program by supplying the atomic number of the element, the Debye-Waller factor and the acceleration voltage. For ions or when more accurate numerical results for neutral atoms are available, the program can read in the numerical values of the elastic scattering factors and return the parameters for both the elastic and absorptive scattering factors. The computer routines developed have been tested both on computer workstations and desktop PC computers, and will be made freely available via electronic mail or on floppy disk upon request. (orig.)

Theory of the particle matrix elements for Helium atom scattering in surfaces

International Nuclear Information System (INIS)

Khater, A.; Toennies, J.P.

2000-01-01

Full text.A brief review is presented for the recent development of the theory of the particle transition matrix elements, basic to the cross section for Helium and inert particle scattering at thermal energies in solid surfaces. the Jackson and Mott matrix elements are presented and discussed for surface scattering processes, habitually classified as elastic and inelastic. Modified transition matrix elements, introduced originally to account for the cut-off effects, are presented in a direct and simple manner. the Debye-Waller factor is introduced and discussed. A recent calculation for the particle transition matrix elements is presented for the specular and inelastic transition matrix elements and the corresponding inelastic scattering cross section is compared in detail to experimental data. the specular and inelastic transition matrix elements are found to be intrinsically similar owing to the intermediate role of a proposed virtual particle squeezed state near the surface

Drawings of fossils by Robert Hooke and Richard Waller

Science.gov (United States)

Kusukawa, Sachiko

2013-01-01

The drawings of fossils by Robert Hooke and Richard Waller that were the basis of the engravings in Hooke's Posthumous works (1705) are published here for the first time. The drawings show that both Hooke and Waller were proficient draftsmen with a keen eye for the details of petrified objects. These drawings provided Hooke with a polemic edge in making the case for the organic origins of ‘figured stones’.

Direct measurement of sub-Debye-length attraction between oppositely charged surfaces.

Science.gov (United States)

Kampf, Nir; Ben-Yaakov, Dan; Andelman, David; Safran, S A; Klein, Jacob

2009-09-11

Using a surface force balance with fast video analysis, we have measured directly the attractive forces between oppositely charged solid surfaces (charge densities sigma(+), sigma(-)) across water over the entire range of interaction, in particular, at surface separations D below the Debye screening length lambda(S). At very low salt concentration we find a long-ranged attraction between the surfaces (onset ca. 100 nm), whose variation at Dsurface charge asymmetry (sigma(+) not equal to |sigma(-)|).

Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

Energy Technology Data Exchange (ETDEWEB)

Chase, T. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Trigo, M.; Reid, A. H.; Dürr, H. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Li, R.; Vecchione, T.; Shen, X.; Weathersby, S.; Coffee, R.; Hartmann, N.; Wang, X. J. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Reis, D. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); PULSE Institute, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States)

2016-01-25

We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

Plasma interaction with emmissive surface with Debye-scale grooves

Science.gov (United States)

Schweigert, Irina; Burton, Thomas S.; Thompson, Gregory B.; Langendorf, Samuel; Walker, Mitchell L. R.; Keidar, Michael

2018-04-01

The sheath development over emissive grooved surface in dc discharge plasma controlled by an electron beam is studied in the experiment and in 2D kinetic simulations. Grooved hexagonal boron nitride surfaces with different aspect ratios, designed to mimic the erosion channels, were exposed to an argon plasma. The characteristic size of the grooves (1 mm and 5 mm) is about of the Debye length. The secondary electrons emission from the grooved surfaces is provided by the bombardment with energetic electrons originated from the heated powered cathode. The transition between a developed and a collapsed sheaths near emissive surface takes place with an increase of the beam electron energy. For grooved emissive surfaces, the sheath transition happens at essentially higher voltage compared to the planar one. This phenomenon is analyzed in the terms of the electron energy distribution function.

An alternative explanation of the change in T-dependence of the effective Debye-Waller factor at T{sub c} or T{sub B}

Energy Technology Data Exchange (ETDEWEB)

Ngai, K. L. [Dipartimento di Fisica, Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); CNR-IPCF, Largo Bruno Pontecorvo 3, I-56127 Pisa (Italy); Habasaki, J. [Tokyo Institute of Technology, Yokohama 226-8502 (Japan)

2014-09-21

The cusp-like temperature dependence of the Debye-Waller factor or non-ergodicity parameter f{sub Q}(T) at some temperature T{sub c} above T{sub g} found by experiments in several fragile glassformers has been considered as critical evidence for validity of the ideal Mode Coupling Theory (MCT). A comprehensive review of experimental data of f{sub Q}(T) and beyond brings out various problems of the MCT predictions. For example, the molten salt, 0.4Ca(NO{sub 3}){sub 2}-0.6KNO{sub 3} (CKN), was the first glassformer measured by neutron scattering to verify the cusp-like behavior of f{sub Q}(T) at T{sub c} predicted by ideal MCT. While the fits of the other scaling laws of MCT to viscosity, light scattering, and dielectric relaxation data all give T{sub c} in the range from 368 to 375 K, there is no evidence of cusp-like behavior of f{sub Q}(T) at T{sub c} from more accurate neutron scattering data obtained later on by Mezei and Russina [J. Phys.: Condens. Matter 11, A341 (1999)] at temperatures below 400 K. In several molecular glass-formers, experiments have found at temperatures below T{sub c} that [1−f{sub Q}(T)] is manifested as nearly constant loss (NCL) in the frequency dependent susceptibility. The NCL persists down to below T{sub g} and is not predicted by the ideal MCT. No clear evidence of the change of T-dependence of f{sub Q}(T) at any T{sub c} was found in intermediate and strong glassformers, although ideal MCT does not distinguish fragile and strong glassformers in predicting the critical behavior of f{sub Q}(T) a priori. Experiments found f{sub Q}(T) changes T-dependence not only at T{sub c} but also at the glass transition temperature T{sub g}. The changes of T-dependence of f{sub Q}(T) at T{sub c} and T{sub g} are accompanied by corresponding changes of dynamic variables and thermodynamic quantities at T{sub B} ≈ T{sub c} and at T{sub g}. The dynamic variables include the relaxation time τ{sub α}(T), the non-exponentiality parameter n(T), and

Microscopic view of disorder in the ordered phase of superionic RbAg4I5

International Nuclear Information System (INIS)

Pasternak, M.

1983-01-01

Moessbauer spectroscopy in 129 I was employed to verify the existence and investigate the properties of local disorder in the ''ordered'' state of the superionic conductor RbAg 4 I 5 . Studies were conducted in the temperature range of 4--180 K covering the low-temperature #betta# phase (T 129 I nucleus, produced by the neighboring Ag ions, has a continuous linear temperature dependence down to 4.2 K. The hyperfine constants and the Debye-Waller factor showed no discontinuity at T/sub c/. The anomalous existence of the single line has been attributed to a fast fluctuating efg due to local hopping of the Ag ions. This dynamic disorder is present even at low temperatures where (8--10)% of Ag ions are locally hopping, and its occurrence increases drastically at T>T/sub c/. A nonharmonic Debye-Waller factor was observed from which a linear temperature-dependent Debye temperature could be derived

Influence of the Debye length on the interaction of a small molecule-modified Au nanoparticle with a surface-bound bioreceptor.

Science.gov (United States)

Bukar, Natalia; Zhao, Sandy Shuo; Charbonneau, David M; Pelletier, Joelle N; Masson, Jean-Francois

2014-05-18

We report that a shorter Debye length and, as a consequence, decreased colloidal stability are required for the molecular interaction of folic acid-modified Au nanoparticles (Au NPs) to occur on a surface-bound receptor, human dihydrofolate reductase (hDHFR). The interaction measured using surface plasmon resonance (SPR) sensing was optimal in a phosphate buffer at pH 6 and ionic strength exceeding 300 mM. Under these conditions, the aggregation constant of the Au NPs was approximately 10(4) M(-1) s(-1) and the Debye length was below 1 nm, on the same length scale as the size of the folate anion (approximately 0.8 nm). Longer Debye lengths led to poorer SPR responses, revealing a reduced affinity of the folic acid-modified Au NPs for hDHFR. While high colloidal stability of Au NPs is desired in most applications, these conditions may hinder molecular interactions due to Debye lengths exceeding the size of the ligand and thus preventing close interactions with the surface-bound molecular receptor.

TEMPERATURE DEPENDENCE OF 57Fe-MÖSSBAUER SPECTRA FOR A 〖〖Fe〗_Fc^II-Fe〗_tpy^II-〖Fe〗_Fc^II TRINUCLEAR SYSTEM

Directory of Open Access Journals (Sweden)

Dumitru Sirbu

2015-06-01

Full Text Available 57Fe Mӧssbauer spectra were recorded for 1'-terpyridine ferrocenecarboxylic acid and [bis(1'-terpyridine ferrocenecarboxylic acid Fe(II]2+ in the temperature range 7 – 293 K. The temperature dependence of the Quadrupole Splitting, Isomer Shift and Debye-Waller factor are discussed. The Debye temperature for the iron nuclei in the investigated compounds was determined.

Determination of molecular configuration by debye length modulation.

Science.gov (United States)

Vacic, Aleksandar; Criscione, Jason M; Rajan, Nitin K; Stern, Eric; Fahmy, Tarek M; Reed, Mark A

2011-09-07

Silicon nanowire field effect transistors (FETs) have emerged as ultrasensitive, label-free biodetectors that operate by sensing bound surface charge. However, the ionic strength of the environment (i.e., the Debye length of the solution) dictates the effective magnitude of the surface charge. Here, we show that control of the Debye length determines the spatial extent of sensed bound surface charge on the sensor. We apply this technique to different methods of antibody immobilization, demonstrating different effective distances of induced charge from the sensor surface.

Absorptive form factors for high-energy electron diffraction

International Nuclear Information System (INIS)

Bird, D.M.; King, Q.A.

1990-01-01

The thermal diffuse scattering contribution to the absorptive potential in high-energy electron diffraction is calculated in the form of an absorptive contribution to the atomic form factor. To do this, the Einstein model of lattice vibrations is used, with isotropic Debye-Waller factors. The absorptive form factors are calculated as a function of scattering vector s and temperature factor M on a grid which enables polynomial interpolation of the results to be accurate to better than 2% for much of the ranges 0≤Ms 2 ≤6 and 0≤M≤2 A 2 . The computed values, together with an interpolation routine, have been incorporated into a Fortran subroutine which calculates both the real and absorptive form factors for 54 atomic species. (orig.)

An experimental 'Life' for an experimental life: Richard Waller's biography of Robert Hooke (1705).

Science.gov (United States)

Moxham, Noah

2016-03-01

Richard Waller's 'Life of Dr Robert Hooke', prefixed to his edition of Hooke's Posthumous Works (1705), is an important source for the life of one of the most eminent members of the early Royal Society. It also has the distinction of being one of the earliest biographies of a man of science to be published in English. I argue that it is in fact the first biography to embrace the subject's natural-philosophical work as the centre of his life, and I investigate Waller's reasons for adopting this strategy and his struggle with the problem of how to represent an early experimental philosopher in print. I suggest that Waller eschews the 'Christian philosopher' tradition of contemporary biography - partly because of the unusually diverse and fragmentary nature of Hooke's intellectual output - and draws instead upon the structure of the Royal Society's archive as a means of organizing and understanding Hooke's life. The most quoted phrase from Waller's biography is that Hooke became 'to a crime close and reserved' in later life; this essay argues that Waller's biographical sketch was fashioned in order to undo the effects of that reserve. In modelling his approach very closely on the structure of the society's records he was principally concerned with making Hooke's work and biography accessible, intelligible and useful to the fellowship in a context familiar to them, a context which had provided the institutional framework for most of Hooke's adult life. I argue that Waller's 'Life' was also intended to make the largest claims for Hooke's intellectual standing that the author dared in the context of the enmity between Hooke and Isaac Newton once the latter became president of the Royal Society. However, I also adduce fresh manuscript evidence that Waller actually compiled, but did not publish, a defence of Hooke's claim to have discovered the inverse square law of gravity, allowing us to glimpse a much more assertive biography of Hooke than the published version.

Non-linear unidimensional Debye screening in plasmas

International Nuclear Information System (INIS)

Clemente, R.A.; Martin, P.

1992-01-01

An exact analytical solution for T e = T i and an approximate solution for T e ≠ T i have been obtained for the unidimensional non-linear Debye potential. The approximate expression is a solution of the Poisson equation obtained by expanding up to third order the Boltzmann's factors. The analysis shows that the effective Debye screening length can be quite different from the usual Debye length, when the potential to thermal energy ratio of the particles is not much smaller than unity. (author)

Application of the backscattering of an atomic beam of thermal energy to the study of the vibrational properties of metal surfaces

International Nuclear Information System (INIS)

Lapujoulade, J.; Lejay, Y.

1975-01-01

Vibrational properties of metal surfaces (surface phonons, surface Debye temperatures) are less known than bulk ones since common investigation methods (neutron, X-rays) are not sensitive to surface properties. A study of the backscattering of an atomic beam may give surface specific informations. The backscattering of noble gas (He, Ne, Ar) from a clean copper single crystal ((100) face) was experimentally studied. The experimental set-up allows to measure the space repartition well as the velocity distribution of the scattered atoms. If the collisions is purely elastic an analysis of the thermal dependence of the specular peak by means of the Debye Waller formula will give the mean square displacements of surface atoms. It is shown however that this simple case is not fulfilled with helium in ordinary beam or solid temperatures. If the collision is inelastic, but dominated by single phonon transfers (as it seems to be the case for helium) information should to get about the phonon dispersion relation of surface atoms. When many-phonon collision occur (Ne and Ar) the analysis is more difficult. A comparison of the experimental result with an approximate calculation of G. Armand is given [fr

He/Ar-atom scattering from molecular monolayers: C{sub 60}/Pt(111) and graphene/Pt(111)

Energy Technology Data Exchange (ETDEWEB)

Yamada, Y; Sugawara, C; Satake, Y; Yokoyama, Y; Okada, R; Nakayama, T; Sasaki, M [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki (Japan); Kondo, T; Oh, J; Nakamura, J [Institute of Material Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki (Japan); Hayes, W W [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States)

2010-08-04

Supersonic He and Ar atomic beam scattering from C{sub 60} and graphene monolayers adsorbed on a Pt(111) surface are demonstrated in order to obtain detailed insight into a gas-molecule collision that has not been studied in detail so far. The effective masses and phonon spectral densities of the monolayers seen by different projectiles are discussed based on classical models such as the hard cube model and the recently developed smooth surface model. Large effective masses are deduced for both the monolayers, suggesting collective effects of surface atoms in the single collision event. The effective Debye temperature of graphene was found to be similar to that reported in highly oriented pyrolytic graphite (HOPG), indicating that the graphene is decoupled well from the Pt substrate. A much smaller Debye-Waller factor was found for the C{sub 60} layer, probably reflecting the strong C{sub 60}-Pt(111) interaction.

Debye series analysis of internal and near-surface fields for a homogeneous sphere illuminated by an axicon-generated vector Bessel beam

International Nuclear Information System (INIS)

Qin, Shitong; Li, Renxian; Yang, Ruiping; Ding, Chunying

2017-01-01

The interaction of an axicon-generated vector Bessel beam (AGVBB) with a homogeneous sphere is investigated in the framework of generalized Lorenz-Mie theory (GLMT). An analytical expression of beam shape coefficients (BSCs) is derived using angular spectrum decomposition method (ASDM), and the scattering coefficients are expanded using Debye series (DSE) in order to isolate the contribution of single scattering process. The internal and near-surface electric fields are numerically analyzed, and the effect of beam location, polarization, order of beam, half-cone angle, and scattering process (namely Debye mode p) are mainly discussed. Numerical results show that a curve formed by extreme peaks can be observed, and the electric fields can be locally enhanced after the interaction of AGVBBs with the particle. Internal and near-surface fields, especially its local enhancement, are very sensitive to the beam parameters, including polarization, order, half-cone angle, etc. The internal fields can also be enhanced by various scattering process (or Debye mode p). Such results have important applications in various fields, including particle sizing, optical tweezers, etc. - Highlights: • Debye series is employed to the analysis of internal and near-surface fields for a sphere illuminated by a vector Bessel beam. • Analytical expressions of BSCs for vector Bessel beams with selected polarizations are derived using ASDM. • The local enhancement of internal and near-surface fields is investigated. • The polarization, order, half-cone angle of the beam affect the local enhancement. • The local enhancement of internal fields is sensitive to the scattering process.

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.

Evaluation of the roughness of a crystal surface by X-ray scattering. Pt. 1

International Nuclear Information System (INIS)

Harada, Jimpei

1992-01-01

The relationship between the intensity distributions of the crystal truncation rod (CTR) scattering and the surface roughness of a crystal is discussed by developing a kinematic theory for the CTR scattering so as to reflect the two-dimensional aspect of the surface. The intensity of the CTR scattering elongated from a Bragg point is shown to be reduced by a factor vertical strokeΓ(q)vertical stroke 2 for a surface possessing some roughness, where Γ(q) is defined by a simple Fourier summation of γ p , the relative area with the same step height p on a surface, i.e. Γ(q) = Σ ∞ p=o γ p exp (2πipq), with Σ p γ p = 1, q being the distance in reciprocal space from the Bragg point along the CTR scattering. A pair-correlation function between the steps can, therefore, be obtained by a simple Fourier integral of the roughness damping factor vertical strokeΓ(q)vertical stroke 2 . For the case where γ p has a Gaussian distribution around the average step height, vertical strokeΓ(q)vertical stroke 2 is approximated by the well known Debye-Waller-like factor, exp (K- 4π 2 (Δp 2 )q 2 ), where (Δp 2 ) is the mean square deviation of step height in units of the lattice spacing. The intensity formulae proposed so far by several authors are also discussed on the basis of the above factor. (orig.)

One-dimensional conduction through supporting electrolytes: two-scale cathodic Debye layer.

Science.gov (United States)

Almog, Yaniv; Yariv, Ehud

2011-10-01

Supporting-electrolyte solutions comprise chemically inert cations and anions, produced by salt dissolution, together with a reactive ionic species that may be consumed and generated on bounding ion-selective surfaces (e.g., electrodes or membranes). Upon application of an external voltage, a Faraday current is thereby established. It is natural to analyze this ternary-system process through a one-dimensional transport problem, employing the thin Debye-layer limit. Using a simple model of ideal ion-selective membranes, we have recently addressed this problem for moderate voltages [Yariv and Almog, Phys. Rev. Lett. 105, 176101 (2010)], predicting currents that scale as a fractional power of Debye thickness. We address herein the complementary problem of moderate currents. We employ matched asymptotic expansions, separately analyzing the two inner thin Debye layers adjacent to the ion-selective surfaces and the outer electroneutral region outside them. A straightforward calculation following comparable singular-perturbation analyses of binary systems is frustrated by the prediction of negative ionic concentrations near the cathode. Accompanying numerical simulations, performed for small values of Debye thickness, indicate a number unconventional features occurring at that region, such as inert-cation concentration amplification and electric-field intensification. The current-voltage correlation data of the electrochemical cell, obtained from compilation of these simulations, does not approach a limit as the Debye thickness vanishes. Resolution of these puzzles reveals a transformation of the asymptotic structure of the cathodic Debye layer. This reflects the emergence of an internal boundary layer, adjacent to the cathode, wherein field and concentration scaling differs from those of the Gouy-Chapman theory. The two-scale feature of the cathodic Debye layer is manifested through a logarithmic voltage scaling with Debye thickness. Accounting for this scaling, the

An investigation of the chromium oxidation state of a monoanionic chromium tris(catecholate) complex by X-ray absorption and EPR spectroscopies

DEFF Research Database (Denmark)

Pattison, D I; Levina, A; Davies, Michael Jonathan

2001-01-01

The well-known monoanionic Cr tris(3,5-di-tert-butylcatecholato) complex, [Cr(DTBC)3]-, has been studied by X-ray absorption spectroscopy. The multiple-scattering fit to the XAFS gave good correlation (R = 19.8%) and good values for all of the bond lengths, angles, and Debye-Waller factors. The p...

An experimental ‘Life’ for an experimental life : Richard Waller's biography of Robert Hooke (1705)

OpenAIRE

Moxham, Noah

2016-01-01

Richard Waller's ‘Life of Dr Robert Hooke’, prefixed to his edition of Hooke's Posthumous Works (1705), is an important source for the life of one of the most eminent members of the early Royal Society. It also has the distinction of being one of the earliest biographies of a man of science to be published in English. I argue that it is in fact the first biography to embrace the subject's natural-philosophical work as the centre of his life, and I investigate Waller's reasons for adopting thi...

Physics behind the Debye temperature

OpenAIRE

Garai, Jozsef

2007-01-01

Textbooks introduce the Debye temperature to simplify the integration of the heat capacity. This approach gives the impression that the Debye temperature is a parameter which makes the integration more convenient. The Debye frequency cut occurs when the wavelength of the phonon frequency reaches the size of the smallest unit of the lattice which is the length of the unit cell. At frequencies higher than the cut off frequency the 'lattice' unable to 'see' the vibration because the wavelength o...

Electron Debye scale Kelvin-Helmholtz instability: Electrostatic particle-in-cell simulations

International Nuclear Information System (INIS)

Lee, Sang-Yun; Lee, Ensang; Kim, Khan-Hyuk; Lee, Dong-Hun; Seon, Jongho; Jin, Ho

2015-01-01

In this paper, we investigated the electron Debye scale Kelvin-Helmholtz (KH) instability using two-dimensional electrostatic particle-in-cell simulations. We introduced a velocity shear layer with a thickness comparable to the electron Debye length and examined the generation of the KH instability. The KH instability occurs in a similar manner as observed in the KH instabilities in fluid or ion scales producing surface waves and rolled-up vortices. The strength and growth rate of the electron Debye scale KH instability is affected by the structure of the velocity shear layer. The strength depends on the magnitude of the velocity and the growth rate on the velocity gradient of the shear layer. However, the development of the electron Debye scale KH instability is mainly determined by the electric field generated by charge separation. Significant mixing of electrons occurs across the shear layer, and a fraction of electrons can penetrate deeply into the opposite side fairly far from the vortices across the shear layer

Debye ring diffraction elucidation of 2D photonic crystal self-assembly and ordering at the air-water interface.

Science.gov (United States)

Smith, N L; Coukouma, A; Dubnik, S; Asher, S A

2017-12-06

We fabricate 2D photonic crystals (2DPC) by spreading a dispersion of charged colloidal particles (diameters = 409, 570, and 915 nm) onto the surface of electrolyte solutions using a needle tip flow method. When the interparticle electrostatic interaction potential is large, particles self-assemble into highly ordered hexagonal close packed (hcp) monolayers. Ordered 2DPC efficiently forward diffract monochromatic light to produce a Debye ring on a screen parallel to the 2DPC. The diameter of the Debye ring is inversely proportional to the 2DPC particle spacing, while the Debye ring brightness and thickness depends on the 2DPC ordering. The Debye ring thickness increases as the 2DPC order decreases. The Debye ring ordering measurements of 2DPC attached to glass slides track measurements of the 2D pair correlation function order parameter calculated from SEM micrographs. The Debye ring method was used to investigate the 2DPC particle spacing, and ordering at the air-solution interface of NaCl solutions, and for 2DPC arrays attached to glass slides. Surprisingly, the 2DPC ordering does not monotonically decrease as the salt concentration increases. This is because of chloride ion adsorption onto the anionic particle surfaces. This adsorption increases the particle surface charge and compensates for the decreased Debye length of the electric double layer when the NaCl concentration is below a critical value.

Structural anisotropy in amorphous SnO2 film probed by X-ray absorption spectroscopy

Science.gov (United States)

Zhu, Q.; Ma, Q.; Buchholz, D. B.; Chang, R. P. H.; Bedzyk, M. J.; Mason, T. O.

2013-07-01

Polarization-dependent X-ray absorption measurements reveal the existence of structural anisotropy in amorphous (a-) SnO2 film. The anisotropy is readily seen for the second neighbor interaction whose magnitude differs along three measured directions. The differences can be well accounted for by 10%-20% variation in the Debye-Waller factor. Instead of a single Gaussian distribution found in crystalline SnO2, the Sn-O bond distribution is bimodal in a-SnO2 whose separation shows a weak angular dependence. The oxygen vacancies, existing in the a-SnO2 film in the order of 1021 cm-3, distribute preferentially along the film surface direction.

Debye sheath mechanism at laser plasma interaction and generalization to nuclear forces and quark-gluon plasma

Science.gov (United States)

Osman, Frederick; Ghahramani, Nader; Hora, Heinrich

2005-10-01

The studies of laser ablation have lead to a new theory of nuclei, endothermic nuclei generation, and quark-gluon plasmas. The surface of ablated plasma expanding into vacuum after high power laser irradiation of targets contains an electric double layer having the thickness of the Debye length. This led to the discovery of surface tension in plasmas, and led to the internal dynamic electric fields in all inhomogeneous plasmas. The surface tension causes stabilization by short length surface wave smoothing the expanding plasma plume and to stabilization against the Rayleigh Taylor instability. Generalizing this to the degenerate electrons in a metal with the Fermi energy instead of the temperature resulted in the first quantum theory of surface tension of metals in agreement with measurements. Taking the Fermi energy in the Debye length for nucleons results in a theory of nuclei with stable confinement of protons and neutrons just at the well-known nuclear density, and the Debye lengths equal to the Hofstadter decay of the nuclear surface. Increasing the nuclear density by a factor of 10 leads to a change of the Fermi energy into its relativistic branch where no surface energy is possible and the particle mass is not defined, permitting the quark gluon plasma. Expansion of this higher density at the big bang or in super-nova results in nucleation and element generation. The Boltzmann equilibrium permits the synthesis of nuclei even in the endothermic range, however with the limit to about uranium. A relation for the magic numbers leads to a quark structure of nuclear shells that can be understood as a duality property of nuclei with respect to nucleons and quarks

Dynamic Chemical and Structural Changes of Heterogeneous Catalysts Observed in Real Time: From Catalysis-Induced Fluxionality to Catalytic Cycles

Science.gov (United States)

2014-11-26

obtained from the fit of the “Clean Pd NCs” (Figure 5 and Table 1) under the approximation the surface atoms have a bond length and EXAFS Debye -Waller...evidence for a model in which Ar drives restructuring of under-coordinated Pd atoms, leading to an increased Pd-Pd bond length of surface Pd atoms... length expansion was calculated by taking the difference between the average NN bond length of each atom before and after being exposed to Ar. The

Who invented the dichotomous key? Richard Waller's watercolors of the herbs of Britain.

Science.gov (United States)

Griffing, Lawrence R

2011-12-01

On 27 March 1689, Richard Waller, Fellow and Secretary of the Royal Society presented his "Tables of the English Herbs reduced to such an order, as to find the name of them by their external figures and shapes" to his assembled colleagues at a meeting of the Royal Society. These tables were developed for the novice by being color images, composed in pencil and watercolor, of selected plants and their distinguishing characteristics. The botanical watercolors for the tables are now a Turning-the-Pages document online on the website of the Royal Society. However, for the past 320 years, the scientific context for the creation of these outstanding botanical watercolors has remained obscure. These tables were developed by Waller as an image-based dichotomous key, pre-dating by almost 100 years the text-based dichotomous keys in the first edition of Flora Française (1778) by Jean Baptiste Lamarck, who is generally given priority for the development of the dichotomous key. How these large folio images were arranged to illustrate a dichotomous key is unknown, but an arrangement based on Waller's description is illustrated here as leaf-ordering for the separate hierarchical clusters (tables). Although only 24 species of watercolored dicot herbs out of a total of 65 in the set of watercolors (the others being monocots) are used in these tables, they are a "proof of concept", serving as models upon which a method is based, that of using a key composed of dichotomous choices for aiding identification.

Boundary asymptotics for a non-neutral electrochemistry model with small Debye length

Science.gov (United States)

Lee, Chiun-Chang; Ryham, Rolf J.

2018-04-01

This article addresses the boundary asymptotics of the electrostatic potential in non-neutral electrochemistry models with small Debye length in bounded domains. Under standard physical assumptions motivated by non-electroneutral phenomena in oxidation-reduction reactions, we show that the electrostatic potential asymptotically blows up at boundary points with respect to the bulk reference potential as the scaled Debye length tends to zero. The analysis gives a lower bound for the blow-up rate with respect to the model parameters. Moreover, the maximum potential difference over any compact subset of the physical domain vanishes exponentially in the zero-Debye-length limit. The results mathematically confirm the physical description that electrolyte solutions are electrically neutral in the bulk and are strongly electrically non-neutral near charged surfaces.

John Dewey and the Question of Race: The Fight for Odell Waller

Science.gov (United States)

Stack, Sam F., Jr.

2009-01-01

In an attempt to better understand the complexity of American racism and democracy, this paper explores racism through the plight of an African American sharecropper, Odell Waller, and the reaction and involvement of John Dewey, America's most liberal democratic philosopher of the 20th century. This exploration delves into the nature of American…

Theory of inelastic effects in resonant atom-surface scattering

International Nuclear Information System (INIS)

Evans, D.K.

1983-01-01

The progress of theoretical and experimental developments in atom-surface scattering is briefly reviewed. The formal theory of atom-surface resonant scattering is reviewed and expanded, with both S and T matrix approaches being explained. The two-potential formalism is shown to be useful for dealing with the problem in question. A detailed theory based on the S-matrix and the two-potential formalism is presented. This theory takes account of interactions between the incident atoms and the surface phonons, with resonant effects being displayed explicitly. The Debye-Waller attenuation is also studied. The case in which the atom-surface potential is divided into an attractive part V/sub a/ and a repulsive part V/sub r/ is considered at length. Several techniques are presented for handling the scattering due to V/sub r/, for the case in which V/sub r/ is taken to be the hard corrugated surface potential. The theory is used to calculate the scattered intensities for the system 4 He/LiF(001). A detailed comparison with experiment is made, with polar scans, azimuthal scans, and time-of-flight measurements being considered. The theory is seen to explain the location and signature of resonant features, and to provide reasonable overall agreement with the experimental results

Effective Debye length in closed nanoscopic systems: a competition between two length scales.

Science.gov (United States)

Tessier, Frédéric; Slater, Gary W

2006-02-01

The Poisson-Boltzmann equation (PBE) is widely employed in fields where the thermal motion of free ions is relevant, in particular in situations involving electrolytes in the vicinity of charged surfaces. The applications of this non-linear differential equation usually concern open systems (in osmotic equilibrium with an electrolyte reservoir, a semi-grand canonical ensemble), while solutions for closed systems (where the number of ions is fixed, a canonical ensemble) are either not appropriately distinguished from the former or are dismissed as a numerical calculation exercise. We consider herein the PBE for a confined, symmetric, univalent electrolyte and quantify how, in addition to the Debye length, its solution also depends on a second length scale, which embodies the contribution of ions by the surface (which may be significant in high surface-to-volume ratio micro- or nanofluidic capillaries). We thus establish that there are four distinct regimes for such systems, corresponding to the limits of the two parameters. We also show how the PBE in this case can be formulated in a familiar way by simply replacing the traditional Debye length by an effective Debye length, the value of which is obtained numerically from conservation conditions. But we also show that a simple expression for the value of the effective Debye length, obtained within a crude approximation, remains accurate even as the system size is reduced to nanoscopic dimensions, and well beyond the validity range typically associated with the solution of the PBE.

Moments of the Bethe surface and total inelastic x-ray scattering cross sections for H2

International Nuclear Information System (INIS)

Sharma, B.S.; Thakkar, A.J.

1987-01-01

Moments, S(j,K), of the generalized oscillator strength distribution are global properties of the Bethe surface. Apart from S(-1,K) which is related to the Waller-Hartree incoherent scattering factor, little is known about these moments for nonzero K. This paper describes high-accuracy calculations of S(1,K) and S(2,K) for molecular hydrogen. Comparison with experiment is made, and the utility of simple asymptotic approximations is confirmed. The moments are used to calculate differential cross sections for the inelastic scattering of x rays using the constant-momentum-transfer and constant-angle theories of Bonham. These cross sections differ from the Waller-Hartree cross sections at large angles thus demonstrating the importance of making corrections to the Waller-Hartree theory if the incoherent scattering factor S(K) is to be extracted from experimental inelastic cross sections. Total cross sections for scattering of 6- and 7-keV photons from H 2 are compared with synchrotron radiation scattering experiments. The calculations suggest that the Bonham constant-angle cross sections agree best with experiment. However, further experimental and theoretical work is needed to obtain firm conclusions about the limitations of Waller-Hartree theory

Multiscale weighted colored graphs for protein flexibility and rigidity analysis

Science.gov (United States)

Bramer, David; Wei, Guo-Wei

2018-02-01

Protein structural fluctuation, measured by Debye-Waller factors or B-factors, is known to correlate to protein flexibility and function. A variety of methods has been developed for protein Debye-Waller factor prediction and related applications to domain separation, docking pose ranking, entropy calculation, hinge detection, stability analysis, etc. Nevertheless, none of the current methodologies are able to deliver an accuracy of 0.7 in terms of the Pearson correlation coefficients averaged over a large set of proteins. In this work, we introduce a paradigm-shifting geometric graph model, multiscale weighted colored graph (MWCG), to provide a new generation of computational algorithms to significantly change the current status of protein structural fluctuation analysis. Our MWCG model divides a protein graph into multiple subgraphs based on interaction types between graph nodes and represents the protein rigidity by generalized centralities of subgraphs. MWCGs not only predict the B-factors of protein residues but also accurately analyze the flexibility of all atoms in a protein. The MWCG model is validated over a number of protein test sets and compared with many standard methods. An extensive numerical study indicates that the proposed MWCG offers an accuracy of over 0.8 and thus provides perhaps the first reliable method for estimating protein flexibility and B-factors. It also simultaneously predicts all-atom flexibility in a molecule.

Mosaic crystal algorithm for Monte Carlo simulations

CERN Document Server

Seeger, P A

2002-01-01

An algorithm is presented for calculating reflectivity, absorption, and scattering of mosaic crystals in Monte Carlo simulations of neutron instruments. The algorithm uses multi-step transport through the crystal with an exact solution of the Darwin equations at each step. It relies on the kinematical model for Bragg reflection (with parameters adjusted to reproduce experimental data). For computation of thermal effects (the Debye-Waller factor and coherent inelastic scattering), an expansion of the Debye integral as a rapidly converging series of exponential terms is also presented. Any crystal geometry and plane orientation may be treated. The algorithm has been incorporated into the neutron instrument simulation package NISP. (orig.)

Weak coupling theory of the ripplon limited mobility of a 2-D electron lattice

International Nuclear Information System (INIS)

Dahm, A.J.; Mehrotra, R.

1981-01-01

The one ripplon-n phonon scattering contribution to the mobility of a 2D electron lattice supported by a liquid helium substrate is calculated in first order perturbation theory to all orders of n in the weak coupling limit. The Debye Waller factor is shown to limit the momentum transfer at large ripplon wave-vectors and high temperatures causing a minimum in the mobility as a function of temperature. (orig.)

Electron-helium scattering in Debye plasmas

International Nuclear Information System (INIS)

Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor; Janev, R. K.

2011-01-01

Electron-helium scattering in weakly coupled hot-dense (Debye) plasma has been investigated using the convergent close-coupling method. The Yukawa-type Debye-Hueckel potential has been used to describe plasma Coulomb screening effects. Benchmark results are presented for momentum transfer cross sections, excitation, ionization, and total cross sections for scattering from the ground and metastable states of helium. Calculations cover the entire energy range up to 1000 eV for the no screening case and various Debye lengths (5-100 a 0 ). We find that as the screening interaction increases, the excitation and total cross sections decrease, while the total ionization cross sections increase.

Debye shielding in a nonextensive plasma

International Nuclear Information System (INIS)

Ait Gougam, Leila; Tribeche, Mouloud

2011-01-01

The phenomenon of Debye Shielding is revisited within the theoretical framework of the Tsallis statistical mechanics. The plasma consists of nonextensive electrons and ions. Both the effective Debye length λ D q and the fall-off of the electrostatic potential Φ are considered and a parameter study conducted. Owing to electron nonextensivity, the critical Mach number derived from the modified Bohm sheath criterion may become less than unity allowing therefore ions with speed less than ion-acoustic speed to enter the sheath from the main body of the plasma. Considering the wide relevance of collective processes, our analysis may be viewed as a first step toward a more comprehensive Debye shielding and electrostatic plasma sheath in nonequilibrium plasmas.

Simulations of free-solution electrophoresis of polyelectrolytes with a finite Debye length using the Debye-Hückel approximation.

Science.gov (United States)

Hickey, Owen A; Shendruk, Tyler N; Harden, James L; Slater, Gary W

2012-08-31

We introduce a mesoscale simulation method based on multiparticle collision dynamics (MPCD) for the electrohydrodynamics of polyelectrolytes with finite Debye lengths. By applying the Debye-Hückel approximation to assign an effective charge to MPCD particles near charged monomers, our simulations are able to reproduce the rapid rise in the electrophoretic mobility with respect to the degree of polymerization for the shortest polymer lengths followed by a small decrease for longer polymers due to charge condensation. Moreover, these simulations demonstrate the importance of a finite Debye length in accurately determining the mobility of uniformly charged polyelectrolytes and net neutral polyampholytes.

Non Debye approximation on specific heat of solids

Science.gov (United States)

Bhattacharjee, Ruma; Das, Anamika; Sarkar, A.

2018-05-01

A simple non Debye frequency spectrum is proposed. The normalized frequency spectrum is compared to that of Debye spectrum. The proposed spectrum, provides a good account of low frequency phonon density of states, which gives a linear temperature variation at low temperature in contrast to Debye T3 law. It has been analyzed that the proposed model provides a good account of excess specific heat for nanostructure solid.

Neutron scattering by anharmonic crystals and the effect of sublattice displacements

International Nuclear Information System (INIS)

Viswanathan, K.S.; Phillip, Jacob

1979-01-01

A theory has been described for the scattering of neutrons by anharmonic crystals, for which terms of the type Vsup(3) (k 1 j 1 ;-k 1 j 1 ;aj) which contribute to the sublattice displacements are not neglected. It is shown that the sublattice displacements will modify the phase factor arising from the scattering by any atom in the unit cell, and the Debye-Waller factor also gets altered both by the sublattice displacements as well as by higher order terms arising from anharmonicity. (author)

A summary of the low angle x-ray atomic scattering factors which have been measured by the critical voltage effect in High Energy Electron Diffraction (HEED)

International Nuclear Information System (INIS)

Fox, A.G.; Fisher, R.M.

1987-08-01

A tabulated summary of all the accurate (/approximately/0.1%) low-angle x-ray atomic scattering (form) factors which have been determined by the systematic critical voltage technique in HEED is presented. For low atomic number elements (Z/approx lt/40) the low angle form factors can be significantly different to best free atom values, and so the best band structure calculated and/or x-ray measured form factors consistent with the critical voltage measurements are also indicated. At intermediate atomic numbers Z≅40→50 only the very low-angle form factors appear to be different to the best free atom values, and even then only by a small amount. For heavy elements (Z/approx lt/70) the best free atom form factors appear to agree very closely with the critical voltage measured values and so, in this case, critical voltage measurements give very accurate measurements of Debye-Waller factors. 48 refs

Debye temperatures of uranium chalcogenides from their lattice ...

Indian Academy of Sciences (India)

Unknown

From the phonon frequencies, their Debye temperatures are evaluated. Further, ... Keywords. Uranium chalcogenides; p-wave electronic superconductor; phonon frequency; Debye tempera- ture; spin ... to the ionic crystals of similar structure.

Stern potential and Debye length measurements in dilute ionic solutions with electrostatic force microscopy.

Science.gov (United States)

Kumar, Bharat; Crittenden, Scott R

2013-11-01

We demonstrate the ability to measure Stern potential and Debye length in dilute ionic solution with atomic force microscopy. We develop an analytic expression for the second harmonic force component of the capacitive force in an ionic solution from the linearized Poisson-Boltzmann equation. This allows us to calibrate the AFM tip potential and, further, obtain the Stern potential of sample surfaces. In addition, the measured capacitive force is independent of van der Waals and double layer forces, thus providing a more accurate measure of Debye length.

Debye's length in expanding quark-gluon plasma

International Nuclear Information System (INIS)

Bialas, A.

1988-06-01

The screening properties of an abelian quark-gluon plasma and boost invariantly expanding in a given direction, are discussed. The expansion results in anisotropic screening. At early stages of the process, the Debye length along the direction of the expansion is reduced by a factor of about 2, relative to static calculations. This may have important consequences for the J/ψ production rate. 12 refs., 2 figs., 1 tab. (author)

Possible effect of static surface disorder on diffractive scattering of H2 from Ru(0001): Comparison between theory and experiment.

Science.gov (United States)

Kroes, G J; Wijzenbroek, Mark; Manson, J R

2017-12-28

Specific features of diffractive scattering of H 2 from metal surfaces can serve as fingerprints of the reactivity of the metal towards H 2 , and in principle theory-experiment comparisons for molecular diffraction can help with the validation of semi-empirical functionals fitted to experiments of sticking of H 2 on metals. However, a recent comparison of calculated and Debye-Waller (DW) extrapolated experimental diffraction probabilities, in which the theory was done on the basis of a potential energy surface (PES) accurately describing sticking to Ru(0001), showed substantial discrepancies, with theoretical and experimental probabilities differing by factors of 2 and 3. We demonstrate that assuming a particular amount of random static disorder to be present in the positions of the surface atoms, which can be characterized through a single parameter, removes most of the discrepancies between experiment and theory. Further improvement might be achievable by improving the accuracy of the DW extrapolation, the model of the H 2 rotational state distribution in the experimental beams, and by fine-tuning the PES. However, the question of whether the DW model is applicable to attenuation of diffractive scattering in the presence of a sizable van der Waals well (depth ≈ 50 meV) should also receive attention, in addition to the question of whether the amount of static surface disorder effectively assumed in the modeling by us could have been present in the experiments.

Convergence of the multiple scattering expansion in XAFS and XANES

International Nuclear Information System (INIS)

Rehr, J.J.

1992-01-01

The convergence of the multiple-scattering expansion of XAFS and XANES by explicit path-bypath calculations. The approach is based on the fast scattering matrix formalism of Rehr and Albers, together with an automated path finder and filters that exclude negligible paths. High-order scattering terms are found to be essential, especially at low energies. Several factors including the magnitude of curved wave scattering amplitudes, inelastic losses and multiple-scattering Debye-Waller factors control convergence of the expansion. The convergence is illustrated explicitly for the case of diatomic molecules

Stern potential and Debye length measurements in dilute ionic solutions with electrostatic force microscopy

International Nuclear Information System (INIS)

Kumar, Bharat; Crittenden, Scott R

2013-01-01

We demonstrate the ability to measure Stern potential and Debye length in dilute ionic solution with atomic force microscopy. We develop an analytic expression for the second harmonic force component of the capacitive force in an ionic solution from the linearized Poisson–Boltzmann equation. This allows us to calibrate the AFM tip potential and, further, obtain the Stern potential of sample surfaces. In addition, the measured capacitive force is independent of van der Waals and double layer forces, thus providing a more accurate measure of Debye length. (paper)

Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering

DEFF Research Database (Denmark)

Nielsen, Mourits

1973-01-01

Phonon dispersion relations have been measured by coherent neutron scattering in solid para-hydrogen and ortho-deuterium. The phonon energies are found to be nearly equal in the two solids, the highest energy in each case lying close to 10 meV. The pressure and temperature dependence of the phonon...... energies have been measured in ortho-deuterium and the lattice change determined by neutron diffraction. When a pressure of 275 bar is applied, the phonon energies are increased by about 10%, and heating the crystal to near the melting point decreases them by about 7%. The densities of states, the specific...... heats, and the Debye temperatures have been deduced and found to be in agreement with the published experimental results. The Debye temperatures are 118 K for hydrogen and 114 K for deuterium. For hydrogen the Debye-Waller factor has been measured by incoherent neutron scattering and it corresponds...

Study of the nonlinear three-dimensional Debye screening in plasmas

International Nuclear Information System (INIS)

Lin Chang; Zhao Jinbao; Zhang Xiulian

2000-01-01

The nonlinear three-dimensional Debye screening in plasmas is investigated. New analytical solutions for the three-dimensional Poisson equation have been obtained for the nonlinear Debye potential for the first time. We derive exact analytical expression for the special case of the nonlinear three-dimensional Debye screening in plasmas. (orig.)

Numerical study of the influence of solid polarization on electrophoresis at finite Debye thickness.

Science.gov (United States)

Bhattacharyya, Somnath; De, Simanta

2015-09-01

The influence of solid polarization on the electrophoresis of a uniformly charged dielectric particle for finite values of the particle-to-fluid dielectric permittivity ratio is analyzed quantitatively without imposing the thin Debye length or weak-field assumption. Present analysis is based on the computation of the coupled Poisson-Nernst-Planck and Stokes equations in the fluid domain along with the Laplace equation within the solid. The electrophoretic velocity is determined through the balance of forces acting on the particle. The solid polarization of the charged particle produces a reduction on its electrophoretic velocity compared to a nonpolarizable particle of the same surface charge density. In accordance with the existing thin-layer analysis, our computed results for thin Debye layer shows that the solid polarization is important only when the applied electric field is strong. When the Debye length is in the order of the particle size, the electrophoretic velocity decreases with the rise of the particle permittivity and attains a saturation limit at large values of the permittivity. Our computed solution for electrophoretic velocity is in agreement with the existing asymptotic analyses based on a thin Debye layer for limiting cases.

Electron plasma oscillations at arbitrary Debye lengths

International Nuclear Information System (INIS)

Lehnert, B.

1990-12-01

A solution is presented for electron plasma oscillation in a thermalized homogeneous plasma, at arbitrary ratios between the Debye length λ D and the perturbation wave length λ. The limit λ D D >> λ corresponds to the free-streaming limit of strong kinetic phase-mixing due to large particle excursions. A strong large Debye distance (LDD) effect already appears when λ D > approx λ. The initial amplitude of the fluid-like contribution to the macroscopic density perturbation then becomes small as compared to the contribution from the free-streaming part. As a consequence, only a small fraction of the density perturbation remains after a limited number of kinetic damping times of the free-streaming part. The analysis further shows that a representation in terms of normal model of the form exp(-iωt) leads to amplitude factors of these modes which are related to each other and which depend on the combined free-streaming and fluid behaviour of the plasma. Consequently, these modes are coupled and cannot be treated as being independent of each other. (au)

Debye shielding revisited

International Nuclear Information System (INIS)

Mak, S.S.

1992-01-01

In deriving the expression for the Debye length, the assumption eφ << kT is often invoked casually. Using a scaling technique this assumption is put in perspective. Furthermore, it is shown that the commonly accepted linearization condition is in fact much more stringent (by two orders of magnitude) than necessary. (author)

Threshold and Lennard-Jones resonances and elastic lifetimes in the scattering of atoms from crystalline surfaces

International Nuclear Information System (INIS)

Garcia, N.

1978-01-01

The GR method for solving the scattering equations of atoms from a hard corrugated surface is applied on accelerated particles above a hard corrugated surface and a hard corrugated surface with an attractive well. The solutions are given for the Rayleigh hypothesis that under the range of corrugation presented in this paper leads to the exact ones. Threshold resonances are studied observing that the appearance and disappearance of beams must be for a general theory with vertical tangent. The structure of the Lennard-Jones resonances given for the model mentioned above. For the first time it is stressed that Lennard-Jones resonances are not observed in metal surfaces in general, and, accordingly, they are unobserved in compact metallic surfaces. This is correlated with the fact that diffraction has not been observed. Both facts are due to the very weak corrugation of the gas-metal interaction potential. According to our results, the Lennard-Jones resonances in metals present greater difficulties to be observed experimentally. It is also noted that the absence of diffraction in compact metal surfaces is because they are almost plane and not because of the Debye-Waller effect. Finally, the lifetimes of the atoms at the crystal surfaces are calculated. These are larger, the smaller the incident energy and the larger the corrugation. But the lifetimes are particularly large at resonance conditions (10 -11 s). (Auth.)

A contribution to the investigation of the properties of the Au-Fe system

International Nuclear Information System (INIS)

Vano, M.; Sitek, J.; Cirak, J.

1976-01-01

Moessbauer spectroscopy, an electronic microanalyzer and X-ray diffractometry were used to study the properties of an Au-Fe solid solution during its preparation by installing Fe atoms into the Au matrix by diffusion heating at a temperature from 550 to 850 degC. On the basis of such measurements, the suitable heating temperature was determined at 850 degC; the Debye-Waller factor for Au-Fe is f=0.604+-0.040 and two configurations of Fe atoms in the Au crystal lattice were found. (author)

Ionic Size Effects: Generalized Boltzmann Distributions, Counterion Stratification, and Modified Debye Length.

Science.gov (United States)

Liu, Bo; Liu, Pei; Xu, Zhenli; Zhou, Shenggao

2013-10-01

Near a charged surface, counterions of different valences and sizes cluster; and their concentration profiles stratify. At a distance from such a surface larger than the Debye length, the electric field is screened by counterions. Recent studies by a variational mean-field approach that includes ionic size effects and by Monte Carlo simulations both suggest that the counterion stratification is determined by the ionic valence-to-volume ratios. Central in the mean-field approach is a free-energy functional of ionic concentrations in which the ionic size effects are included through the entropic effect of solvent molecules. The corresponding equilibrium conditions define the generalized Boltzmann distributions relating the ionic concentrations to the electrostatic potential. This paper presents a detailed analysis and numerical calculations of such a free-energy functional to understand the dependence of the ionic charge density on the electrostatic potential through the generalized Boltzmann distributions, the role of ionic valence-to-volume ratios in the counterion stratification, and the modification of Debye length due to the effect of ionic sizes.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

Science.gov (United States)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by

Spectra of electron pair under harmonic and Debye potential

Energy Technology Data Exchange (ETDEWEB)

Munjal, D. [Department of Physics and Astrophysics, University of Delhi (India); Department of Physics, Swami Shraddhanand College, University of Delhi (India); Prasad, V. [Department of Physics, Swami Shraddhanand College, University of Delhi (India)

2017-02-15

Two electron systems confined by harmonic potential is known as harmonium. Such a system has been studied for many reasons in the literature. In this work we study harmonium under Debye potential. We use higher order finite difference method for the solution of Schrodinger equation. Complete energy spectrum of harmonium and harmonium under Debye potential is studied. Debye screening length shows considerable effect on the energy levels and the radial matrix elements. The results are analysed in the light of existing results and the comparison with available results shows remarkable agreement. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Achromatization of Debye-Scherrer Lines

National Research Council Canada - National Science Library

Ekstein, Hans

1951-01-01

A method is described for reducing the width of a Debye-Scherrer line produced by diffraction from a polycrystalline medium, if this width is due to the spectral impurity of the primary characteristic radiation...

Electron-positronium scattering in Debye plasma environment

International Nuclear Information System (INIS)

Basu, Arindam; Ghosh, A.S.

2008-01-01

Electron-positronium scattering has been investigated in the Debye plasma environment employing the close-coupling approximation. Three models, viz. 3-state CCA, 6-state CCA and 9-state CCA, have been employed. The 2s 21 S e autodetaching resonant state of the positronium negative ion has been successfully predicted for various plasma environments. The position of the resonance for different Debye lengths are in close agreement with those of Kar and Ho [S. Kar, Y.K. Ho, Phys. Rev. A 71 (2005) 052503

Diffusion of Hydrogen in the beta-Phase of Pd-H Studied by Small Energy Transfer Neutron Scattering

Energy Technology Data Exchange (ETDEWEB)

Nelin, G; Skoeld, K

1974-07-01

The diffusion of hydrogen in beta-PdH has been studied by quasielastic neutron scattering. It is shown that the diffusion occurs through jumps between adjacent octahedral interstitial sites. The observed integrated quasielastic intensities cannot be described by a simple Debye-Waller factor. The phase transition from the beta-phase to the alpha-phase has also been studied. No dramatic changes in the scattering patterns were observed. It is concluded that the diffusion mechanism is remarkably similar between the low concentration alpha-phase and the high concentration beta-phase

Ultra-Flexible, Invisible Thin-Film Transistors Enabled by Amorphous Metal Oxide/Polymer Channel Layer Blends

Science.gov (United States)

2015-02-25

coordination num- bers (CNs), bond lengths , and Debye –Waller factors from Equation ( 1) : [ 45 ] ( ) ( ) sin 2 i i 0 2 i 2 i i 2 ( ) 2 j i 2 2 k N f k S...through a shadow mask (channel length L = 50 µm, channel width W = 1 mm). The newly developed In 2 O 3 : x %PVP semiconducting fi lms were fi rst...coordination numbers, In–O bond lengths , and σ 2 values for the indicated fi lms. e,f) X-ray photoelectron spectroscopy (XPS) of In 2 O 3 :polymer fi

Low temperature anomalies in the lattice parameters of rare earth compounds and UPd3

International Nuclear Information System (INIS)

Pluemacher, D.

1980-01-01

Using a low temperature diffractometer, intermediate valence effects and crystal defects can be identified from the temperature dependence of the lattice parameters and the Debye-Waller factor. For polycrystalline powder samples the measuring error are too large. For intermediate valence systems the relative change in the 4f-level population probability can be calculated together with the anisotropic effects on the lattice parameters and on the unit cell colume. Pronounced effects on the lattice parameters can be observed in the case of RE Cu 2 Si 2 compounds with crystal fields. (DG) [de

Study of two-dimensional Debye clusters using Brownian motion

International Nuclear Information System (INIS)

Sheridan, T.E.; Theisen, W.L.

2006-01-01

A two-dimensional Debye cluster is a system of n identical particles confined in a parabolic well and interacting through a screened Coulomb (i.e., a Debye-Hueckel or Yukawa) potential with a Debye length λ. Experiments were performed for 27 clusters with n=3-63 particles (9 μm diam) in a capacitively coupled 9 W rf discharge at a neutral argon pressure of 13.6 mTorr. In the strong-coupling regime each particle exhibits small amplitude Brownian motion about its equilibrium position. These motions were projected onto the center-of-mass and breathing modes and Fourier analyzed to give resonance curves from which the mode frequencies, amplitudes, and damping rates were determined. The ratio of the breathing frequency to the center-of-mass frequency was compared with theory to self-consistently determine the Debye shielding parameter κ, Debye length λ, particle charge q, and mode temperatures. It is found that 1 < or approx. κ < or approx. 2, and κ decreases weakly with n. The particle charge averaged over all measurements is -14 200±200 e, and q decreases slightly with n. The two center-of-mass modes and the breathing mode are found to have the same temperature, indicating that the clusters are in thermal equilibrium with the neutral gas. The average cluster temperature is 399±5 K

The thermo-electric nature of the Debye temperature

Directory of Open Access Journals (Sweden)

Mithun Bhowmick

2018-05-01

Full Text Available The Debye temperature is typically associated with the heat capacity of a solid and the cut-off of the possible lattice vibrations, but not necessarily to the electric conductivity of the material. By investigating III-V and II-VI compound semiconductors, we reveal that the Debye temperature represents a thermo-electric material parameter, connecting the thermal and electronic properties of a solid via a distinct power law.

Debye classes in A15 compounds

International Nuclear Information System (INIS)

Staudenmann, J.; DeFacio, B.; Testardi, L.R.; Werner, S.A.; Fluekiger, R.; Muller, J.

1981-01-01

The comparison between electron charge-density distribution of V 3 Si, Cr 3 Si, and V 3 Ge at room temperature leads us to study the Debye temperatures at 0 0 K THETA 0 from specific-heat measurements for over 100 A15 compounds. A phenomenological THETA 0 (M), M the molecular mass, is obtained from the static scaling relation THETA 0 (M) = aM/sup b/ and this organizes all of the data into five Debye classes: V(V 3 Si), V-G, G(V 3 Ge), G-C, and C(Cr 3 Si). In contrast, the Debye temperature THETA 0 (V), with V as the unit-cell volume does not relate alloys as THETA 0 (M) does, with the exception of the C class. This latter case leads to the surprising result MproportionalV/sup approximately1/3/ and to a Grueneisen constant of 1.6 +- 0.1 for all compounds of this class. In the V class where V 3 Si and Nb 3 Sn are found, THETA 0 (V) labels these two alloys differently, as does their martensitic c/a ratios. With T-bar/sub c/ denoting the average superconducting transition temperature within a Debye class, interesting correlations are shown. One is the maximum of T-bar/sub c/ which exists in the V class where the strongest anharmonicity occurs. Another is the case of compounds formed only by transition elements up to and including Au. This interesting case shows that approx.3.2< T-bar/sub c/< approx.5.0 K in all of the five classes and that there is no correlation between T/sub c/ and the thermal properties. The implications of these observations for creating better models for the A15 compounds are briefly discussed

Relativistic effects in hydrogenlike atoms embedded in Debye plasmas

International Nuclear Information System (INIS)

Bielinska-Waz, D.; Karwowski, J.; Saha, B.; Mukherjee, P.K.

2004-01-01

Spectra of hydrogenlike atoms embedded in a Debye plasma are investigated. The state energies and the transition rates are studied using a fully relativistic formalism based on the Dirac equation. The effect of the plasma is described by introducing an exponential screening to the nuclear Coulomb potential (the Debye screening). Systematic trends with respect to both the nuclear charge and the screening parameter are observed for all calculated quantities. The pattern of splittings of ns 1/2 , np 1/2 and np 3/2 is modified in a specific way due to the combined relativity and plasma effect. The transition rates decrease with an increase of the Debye parameter as well as with an increase of Z

Resonant charge exchange for H-H+ in Debye plasmas

Science.gov (United States)

Laricchiuta, Annarita; Colonna, Gianpiero; Capitelli, Mario; Kosarim, Alexander; Smirnov, Boris M.

2017-11-01

The dynamics of resonant charge exchange in proton-hydrogen collisions embedded in plasma is investigated in the framework of the asymptotic approach, modified to account for the effect of Debye-Hückel screening in particle interactions. The cross sections exhibit a marked dependence on the Debye length in regimes of severe plasma confinement. Processes involving excited states H( n)-H+ are also discussed.

A review of quantum collision dynamics in Debye plasmas

OpenAIRE

Janev, R. K.; Zhang, Song Bin; Wang, Jian Guo

2016-01-01

Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations), the interaction between charged plasma particles reduces to the Debye-H\\"uckel (Yukawa-type) potential, characterized by the Debye screening length D. Due to the importance of Coulomb interaction screening in dense laboratory and astrophysical plasmas, hundreds of theoretical investigations ...

Defects and disorder in the fast-ion electrode lithium-aluminum

Energy Technology Data Exchange (ETDEWEB)

Susman, S; Brun, T O

1981-01-01

Neutron and X-ray diffraction measurements indicate no phase change in ..beta..-phase LiAl from 300 to 940 K. The thermal expansion of the lattice constant and the temperature dependence of the Debye-Waller factor Li are linear and not unusually large. The data are analyzed in the Bragg-Williams approximation with T/sub c/ = 1100 K. At elevated temperatures, LiAl approaches an order-disorder transformation. At battery operating temperatures (700 K) there are appreciable concentrations of both types of antisite defects Li/sub Al/ and Al/sub Li/, and there is appreciable Al diffusion.

Co-Au core-shell nanocrystals formed by sequential ion implantation into SiO2

International Nuclear Information System (INIS)

Kluth, P.; Hoy, B.; Johannessen, B.; Dunn, S. G.; Foran, G. J.; Ridgway, M. C.

2006-01-01

Co-Au core-shell nanocrystals (NCs) were formed by sequential ion implantation of Au and Co into thin SiO 2 . The NCs were investigated by means of transmission electron microscopy and extended x-ray absorption fine structure spectroscopy. The latter reveals a bond length expansion in the Co core compared to monatomic Co NCs. Concomitantly, a significant contraction of the bond length and a significant reduction of the effective Au-Au coordination number were observed in the Au shells. Increased Debye-Waller factors indicate significant strain in the NCs. These experimental results verify recent theoretical predictions

Ultrafast time-resolved electron diffraction on adsorbate systems on silicon surfaces. Vibrational excitation in monllayers and dynamics of phase transitions; Ultraschnelle zeitaufgeloeste Elektronenbeugung an Adsorbatsystemen auf Siliziumoberflaechen. Vibrationsanregung in Monolagen und Dynamik von Phasenuebergaengen

Energy Technology Data Exchange (ETDEWEB)

Moellenbeck, Simone

2011-04-11

surface phase transitions was analysed for the first time with TR-RHEED. As a first modell system, the Si(0 0 1) c(4 x 2)-(2 x 1) order disorder phase transition was analyzed. The dynamics of this phase transition can be observed with TR-RHEED, as the Laue rings on which the c(4 x 2)-spots are located vanishes almost completely in the temporal overlap. The observed intensity decrease of the (2 x 1)-reflexes is however quiet small. Due to the direct bandgap of Silicon, a direct absorption of the photons in the Silicon substrate can be excluded. Instead, the excitation of the phase transition is explained by absorption in the surface state of the tilted dimer. Furthermore, the Peierls like phase transition of In/Si(1 1 1) (4 x 1)-(8 x ''2'') was analyzed in detail. This phase transition can be observed excellently in TR-RHEED: the diffraction spots of the (8 x ''2'')-reconstruction vanish whereas the intensity of the (4 x 1)-spots increases simultaneously. The intensity increase cannot be explained with a simple Debye-Waller effect. A real structural transiton at the surface takes place. Fluence and base temperature dependent measurements are presented to confirm, that the electronic excitation instead of thermal excitation destroys the low temperature phase. Furthermore, a complete structural formation of the (8 x ''2'')-reconstruction (time constant of approx. 500 ps) and growth from seeds around adsorbates (down to 50 ps) can be distinguished. In addition, the thermal cooling before the structural change can be observed when the surface is heated above the phase transition temperature (time constant up to 2000 ps). (orig.)

Conditions for similitude and the effect of finite Debye length in electroosmotic flows.

Science.gov (United States)

Oh, Jung Min; Kang, Kwan Hyoung

2007-06-15

Under certain conditions, the velocity field is similar to the electric field for electroosmotic flow (EOF) inside a channel. There was a disagreement between investigators on the necessity of the infinitesimal-Reynolds-number condition for the similarity when the Helmholtz-Smoluchowski relation is applied throughout the boundaries. What is puzzling is a recent numerical result that showed, contrary to the conventional belief, an evident Reynolds number dependence of the EOF. We show here that the notion that the infinitesimal-Reynolds-number condition is required originates from the misunderstanding that the EOF is the Stokes flow. We point out that the EOF becomes the potential flow when the Helmholtz-Smoluchowski relation is applied at the boundaries. We carry out a numerical simulation to investigate the effect of finiteness of the Debye length and the vorticity layer inherently existing at the channel wall. We show that the Reynolds number dependence of the previous numerical simulation resulted from the finiteness of the Debye length and subsequent convective transport of vorticity toward the bulk flow. We discuss in detail how the convection of vorticity occurs and what factors are involved in the transport process, after carrying out the simulation for different Reynolds numbers, Debye lengths, corner radii, and geometries.

Importance of the Debye screening length on nanowire field effect transistor sensors.

Science.gov (United States)

Stern, Eric; Wagner, Robin; Sigworth, Fred J; Breaker, Ronald; Fahmy, Tarek M; Reed, Mark A

2007-11-01

Nanowire field effect transistors (NW-FETs) can serve as ultrasensitive detectors for label-free reagents. The NW-FET sensing mechanism assumes a controlled modification in the local channel electric field created by the binding of charged molecules to the nanowire surface. Careful control of the solution Debye length is critical for unambiguous selective detection of macromolecules. Here we show the appropriate conditions under which the selective binding of macromolecules is accurately sensed with NW-FET sensors.

Debye screening modifications in ponderomotive effects

International Nuclear Information System (INIS)

Sodha, M.S.; Subbarao, D.

1979-01-01

The effective Debye screening length is shown to be increased in the presence of a high-power electromagnetic wave. The consequent modifications in ponderomotive redistributive effects and strong violations of charge neutrality have been shown to be in agreement with recent laser-plasma experiments

H2+ embedded in a Debye plasma: Electronic and vibrational properties

International Nuclear Information System (INIS)

Angel, M.L.; Montgomery, H.E.

2011-01-01

The effect of plasma screening on the electronic and vibrational properties of the H 2 + molecular ion was analyzed within the Born-Oppenheimer approximation. When a molecule is embedded in a plasma, the plasma screens the electrostatic interactions. This screening is accounted in the Schroedinger equation by replacing the Coulomb potentials with Yukawa potentials that incorporate the Debye length as a screening parameter. Variational expansions in confocal elliptical coordinates were used to calculate energies of the 1sσ g and 2pσ u states over a range of Debye lengths and bond distances. When the Debye length is comparable to the equilibrium bond distance, the dissociation energy is reduced while the equilibrium internuclear separation is increased. Expectation values, static dipole polarizabilities and spectroscopic constants were calculated for the 1sσ g state. - Highlights: → Effect of plasma screening on the properties of the H 2 + molecular ion. → Used a variational wavefunction in confocal elliptical coordinates. → Potential energy curves for the ground and first excited state are presented. → Decreasing Debye length increases polarizability of the electron distribution.

Measurement of Debye length in laser-produced plasma.

Science.gov (United States)

Ehler, W.

1973-01-01

The Debye length of an expanded plasma created by placing an evacuated chamber with an entrance slit in the path of a freely expanding laser produced plasma was measured, using the slab geometry. An independent measurement of electron density together with the observed value for the Debye length also provided a means for evaluating the plasma electron temperature. This temperature has applications in ascertaining plasma conductivity and magnetic field necessary for confinement of the laser produced plasma. Also, the temperature obtained would be useful in analyzing electron-ion recombination rates in the expanded plasma and the dynamics of the cooling process of the plasma expansion.

The Ironic Hypocrisy of Killing: How Sanctioned Counterinsurgency Policies of the Philippine War Ends in the Court-Martial of Major Littleton Waller

Science.gov (United States)

2013-04-01

Hughes whose troops were ordered to kill guerrillas and civilians alike, burn villages, destroy cops and slaughter livestock. 83 Major Littleton... slaughter his entire command. After capturing many of the ring leaders, Maj Waller would have been more than justified in executing them for their

Calculating Debye potentials from data on I or H

International Nuclear Information System (INIS)

Torrence, R.J.

1982-01-01

Using the formalism of Cohen and Kegeles equations are obtained for arbitrary spin radiation field Debye potentials in Reissner-Nordstrom geometries, and a formal series solution is presented. For the case of integer spin the series is modified to what appears to be am more natural form. In the particular case of vanishing spin it is shown that in some important cases the modified series converges to a solution of the Debye potential equation, which is the scalar wave equation, and is simply related to characteristic initial data given on either H or I. (author)

Design of an electrochemical cell for in situ XAS studies

Energy Technology Data Exchange (ETDEWEB)

Watanabe, N. [Instituto de Quimica, Universidade Estadual de Campinas (UNICAMP), Box 6154, CEP 13083-970, Campinas, SP (Brazil); Morais, J. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul (UFRGS), Avenida Bento Goncalves, 9500, Bairro Agronomia, CP 15051, CEP 91501-970, Porto Alegre, RS (Brazil); Alves, M.C.M. [Instituto de Quimica, Universidade Federal do Rio Grande do Sul (UFRGS), Avenida Bento Goncalves, 9500, Bairro Agronomia, CP 15003, CEP 91501-970, Porto Alegre, RS (Brazil)], E-mail: maria@iq.ufrgs.br

2007-05-15

In situ X-ray absorption spectroscopy (XAS) studies have been carried out on the electrochemical insertion of Co metal particles in polypyrrole. This has become possible due to the development of an electrochemical cell to allow XAS studies in fluorescence geometry under steady-state conditions. The experimental set-up allows the in situ monitoring of the structural and electronic changes of the selected atom in a matrix. The project of the electrochemical cell is presented with the results obtained at different stages of the electrochemical process. XANES and EXAFS results showed that the initial stage of the cobalt insertion in polypyrrole took place in an ionic form, like [-[(C{sub 4}H{sub 2}N){sub 3}CH{sub 3}(CH{sub 2}){sub 11}OSO{sub 3}{sup -}]{sub 6}Co{sup 2+}] with posterior reduction to a metallic form. The quantitative analysis of the first shell shows that, at -0.60 V, the cobalt atoms are surrounded by 6 ({+-}0.5) atoms located at 2.12 ({+-}0.05) A with a large Debye-Waller factor ({sigma}{sup 2}) value of 0.0368 ({+-}0.0074). At -0.80 V, two distances of R = 1.99 ({+-}0.01) and R = 2.50 ({+-}0.01) A show the coexistence of cobalt in the oxidized and reduced (Co{sup 0}) forms. The Co-Co distance corresponds to that of bulk cobalt. At -1.20 V, the obtained values of N = 12 ({+-}0.5) and R = 2.56 ({+-}0.01) A and a Debye-Waller factor of 0.0176 ({+-}0.0004) suggest the formation of metallic cobalt in a quite disordered form.

Determination of Debye temperatures and Lamb-Mössbauer factors for LnFeO3 orthoferrite perovskites (Ln  =  La, Nd, Sm, Eu, Gd)

Science.gov (United States)

Scrimshire, A.; Lobera, A.; Bell, A. M. T.; Jones, A. H.; Sterianou, I.; Forder, S. D.; Bingham, P. A.

2018-03-01

Lanthanide orthoferrites have wide-ranging industrial uses including solar, catalytic and electronic applications. Here a series of lanthanide orthoferrite perovskites, LnFeO3 (Ln  =  La Nd; Sm; Eu; Gd), prepared through a standard stoichiometric wet ball milling route using oxide precursors, has been studied. Characterisation through x-ray diffraction and x-ray fluorescence confirmed the synthesis of phase-pure or near-pure LnFeO3 compounds. 57Fe Mössbauer spectroscopy was performed over a temperature range of 10 K-293 K to observe hyperfine structure and to enable calculation of the recoil-free fraction and Debye temperature (θ D) of each orthoferrite. Debye temperatures (Ln  =  La 474 K Nd 459 K Sm 457 K Eu 452 K Gd 473 K) and recoil-free fractions (Ln  =  La 0.827; Nd 0.817; Sm 0.816; Eu 0.812; Gd 0.826) were approximated through minimising the difference in the temperature dependent experimental centre shift and theoretical isomer shift, by allowing the Debye temperature and isomer shift values to vary. This method of minimising the difference between theoretical and actual values yields Debye temperatures consistent with results from other studies determined through thermal analysis methods. This displays the ability of variable-temperature Mössbauer spectroscopy to approximate Debye temperatures and recoil-free fractions, whilst observing temperature induced transitions over the temperature range observed. X-ray diffraction and Rietveld refinement show an inverse relationship between FeO6 octahedral volume and approximated Debye temperatures. Raman spectroscopy show an increase in the band positions attributed to soft modes of Ag symmetry, Ag(3) and Ag(5) from La to GdFeO3 corresponding to octahedral rotations and tilts in the [0 1 0] and [1 0 1] planes respectively.

Spherical conducting probes in finite Debye length plasmas and E x B fields

International Nuclear Information System (INIS)

Patacchini, Leonardo; Hutchinson, Ian H

2011-01-01

The particle-in-cell code SCEPTIC3D (Patacchini and Hutchinson 2010 Plasma Phys. Control. Fusion 52 035005) is used to calculate the interaction of a transversely flowing magnetized plasma with a negatively charged spherical conductor, in the entire range of magnetization and Debye length. The results allow the first fully self-consistent analysis of probe operation where neither the ion Larmor radius nor the Debye length are approximated by zero or infinity. An important transition in plasma structure occurs when the Debye length exceeds the average ion Larmor radius, as the sphere starts to shield the convective electric field driving the flow. A remarkable result is that in those conditions, the ion current can significantly exceed the unmagnetized orbital motion limit. When both the Debye length and the Larmor radius are small compared with the probe dimensions, however, their ratio does not affect the collection pattern significantly, and Mach-probe calibration methods derived in the context of quasineutral strongly magnetized plasmas (Patacchini and Hutchinson 2009 Phys. Rev. E 80 036403) hold for Debye lengths and ion Larmor radii smaller than about 10% of the probe radius.

Structure analysis of NiAl martensite

International Nuclear Information System (INIS)

Noda, Y.; Shapiro, S.M.; Shirane, G.; Yamada, Y.; Fuchizaki, K.; Tanner, L.E.

1989-01-01

Neutron elastic scattering experiments were performed in order to investigate the structure of the low temperature martensitic phase of Ni 62.5 Al 37.5 alloy. The average structure analyzed from the integrated intensity was approximately described by the (5,-2) structure proposed by Martynov et al. Small deviation from the exact (5,-2) model in the positional parameters and the anomalously large Debye-Waller factor were obtained. The observed satellite profiles show asymmetrical broadening, and the peak positions shift from the regular reciprocal lattice points. These anomalous features of scattering profiles were tentatively interpreted by introducing spatial modulation of the strain and order parameters. 12 refs., 2 figs., 1 tab

Communication: Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers.

Science.gov (United States)

Puosi, F; Pasturel, A; Jakse, N; Leporini, D

2018-04-07

The breakdown of the Stokes-Einstein (SE) law in fragile glassformers is examined by Molecular-Dynamics simulations of atomic liquids and polymers and consideration of the experimental data concerning the archetypical ortho-terphenyl glassformer. All the four systems comply with the universal scaling between the viscosity (or the structural relaxation) and the Debye-Waller factor ⟨u 2 ⟩, the mean square amplitude of the particle rattling in the cage formed by the surrounding neighbors. It is found that the SE breakdown is scaled in a master curve by a reduced ⟨u 2 ⟩. Two approximated expressions of the latter, with no and one adjustable parameter, respectively, are derived.

An investigation of antiprotons collisions with positronium atom in Debye plasma environments

International Nuclear Information System (INIS)

Pandey, M. K.; Lin, Y.-C.; Ho, Y. K.

2015-01-01

The effects of Debye plasmas on antihydrogen formation and ionization processes are investigated in antiprotons (p ¯ ) and positronium (Ps) collisions. The classical trajectory Monte Carlo method with Debye Hückel potentials has been used for cross section calculations. In this process, antihydrogen formation and ionization cross sections have been calculated in unscreened as well as in Debye plasmas conditions in energies ranging from 1 to 500 keV. Partial cross sections for antihydrogen formation are also calculated which show the largest cross sections correspond to production of antihydrogen in the n = 2 (2s, 2p) states. Comparative study has been carried out to determine the differences of cross sections in screening and unscreening cases. The results show that the cross sections for both antihydrogen formation and positronium ionization depend on Debye screening lengths as well as on collision energies. The effects of plasmas conditions on antihydrogen formation and positronium ionization are explained in terms of classical trajectory framework. Our results for the unscreened case are in agreement with previously reported results

An investigation of antiprotons collisions with positronium atom in Debye plasma environments

Energy Technology Data Exchange (ETDEWEB)

Pandey, M. K., E-mail: pandey@pub.iams.sinica.edu.tw; Lin, Y.-C.; Ho, Y. K., E-mail: ykho@pub.iams.sinica.edu.tw [Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei 106, Taiwan (China)

2015-05-15

The effects of Debye plasmas on antihydrogen formation and ionization processes are investigated in antiprotons (p{sup ¯}) and positronium (Ps) collisions. The classical trajectory Monte Carlo method with Debye Hückel potentials has been used for cross section calculations. In this process, antihydrogen formation and ionization cross sections have been calculated in unscreened as well as in Debye plasmas conditions in energies ranging from 1 to 500 keV. Partial cross sections for antihydrogen formation are also calculated which show the largest cross sections correspond to production of antihydrogen in the n = 2 (2s, 2p) states. Comparative study has been carried out to determine the differences of cross sections in screening and unscreening cases. The results show that the cross sections for both antihydrogen formation and positronium ionization depend on Debye screening lengths as well as on collision energies. The effects of plasmas conditions on antihydrogen formation and positronium ionization are explained in terms of classical trajectory framework. Our results for the unscreened case are in agreement with previously reported results.

Charged particle layers in the Debye limit.

Science.gov (United States)

Golden, Kenneth I; Kalman, Gabor J; Kyrkos, Stamatios

2002-09-01

We develop an equivalent of the Debye-Hückel weakly coupled equilibrium theory for layered classical charged particle systems composed of one single charged species. We consider the two most important configurations, the charged particle bilayer and the infinite superlattice. The approach is based on the link provided by the classical fluctuation-dissipation theorem between the random-phase approximation response functions and the Debye equilibrium pair correlation function. Layer-layer pair correlation functions, screened and polarization potentials, static structure functions, and static response functions are calculated. The importance of the perfect screening and compressibility sum rules in determining the overall behavior of the system, especially in the r--> infinity limit, is emphasized. The similarities and differences between the quasi-two-dimensional bilayer and the quasi-three-dimensional superlattice are highlighted. An unexpected behavior that emerges from the analysis is that the screened potential, the correlations, and the screening charges carried by the individual layers exhibit a marked nonmonotonic dependence on the layer separation.

Charged particle layers in the Debye limit

International Nuclear Information System (INIS)

Golden, Kenneth I.; Kalman, Gabor J.; Kyrkos, Stamatios

2002-01-01

We develop an equivalent of the Debye-Hueckel weakly coupled equilibrium theory for layered classical charged particle systems composed of one single charged species. We consider the two most important configurations, the charged particle bilayer and the infinite superlattice. The approach is based on the link provided by the classical fluctuation-dissipation theorem between the random-phase approximation response functions and the Debye equilibrium pair correlation function. Layer-layer pair correlation functions, screened and polarization potentials, static structure functions, and static response functions are calculated. The importance of the perfect screening and compressibility sum rules in determining the overall behavior of the system, especially in the r→∞ limit, is emphasized. The similarities and differences between the quasi-two-dimensional bilayer and the quasi-three-dimensional superlattice are highlighted. An unexpected behavior that emerges from the analysis is that the screened potential, the correlations, and the screening charges carried by the individual layers exhibit a marked nonmonotonic dependence on the layer separation

Light intensity dependent Debye screening length in undoped photorefractive titanosillenite crystals

OpenAIRE

de Oliveira, I; Frejlich, J

2012-01-01

We report on the experimental evidence of the light intensity dependence of the Debye screening length l(s) in undoped photorefractive titanosillenite crystals (Bi12TiO20) by measuring the holographic gain and diffraction efficiency in a two-wave mixing experiment under 532 nm wavelength laser light. Debye length shows saturation at high values of the light intensity. Results are in agreement with the theoretical development. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/...

Debye temperature, thermal expansion, and heat capacity of TcC up to 100 GPa

Energy Technology Data Exchange (ETDEWEB)

Song, T., E-mail: songting@mail.lzjtu.cn [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); School of Material Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China); Ma, Q. [School of Material Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China); Tian, J.H. [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Liu, X.B. [School of Physics and Information Science, Tianshui Normal University, Tianshui 741000 (China); Ouyang, Y.H.; Zhang, C.L.; Su, W.F. [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China)

2015-01-15

Highlights: • A number of thermodynamic properties of rocksalt TcC are investigated for the first time. • The quasi-harmonic Debye model is applied to take into account the thermal effect. • The pressure and temperature up to about 100 GPa and 3000 K, respectively. - Abstract: Debye temperature, thermal expansion coefficient, and heat capacity of ideal stoichiometric TcC in the rocksalt structure have been studied systematically by using ab initio plane-wave pseudopotential density functional theory method within the generalized gradient approximation. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the dependences of Debye temperature, thermal expansion coefficient, constant-volume heat capacity, and constant-pressure heat capacity on pressure and temperature are successfully predicted. All the thermodynamic properties of TcC with rocksalt phase have been predicted in the entire temperature range from 300 to 3000 K and pressure up to 100 GPa.

Electron impact excitation of helium in Debye plasma

Energy Technology Data Exchange (ETDEWEB)

Diallo, S.; Gomis, L.; Faye, I. G.; Tall, M. S.; Diédhiou, I. [Département de Physique, Faculté des Sciences and Techniques, Université Cheikh Anta Diop, Dakar-Fann (Senegal); Diatta, C. S. [Institut International des Sciences et de Technologie, 28 Avenue des Ambassadeurs Dakar-Fann (Senegal); Zammit, M. [ARC Centre for Antimatter-Matter Studies, Curtin University, GPO Box U1987, Perth, Western Australia 6845 (Australia)

2015-03-15

The probability, differential, and integral scattering cross sections of the 1{sup 1}S→2{sup 1}S and 1{sup 1}S→2{sup 1}P transitions of helium have been calculated in the first Born approximation. The projectile-target interactions depending on the temperature and the density of plasma are described by the Debye-Hückel model. Wave functions of the target before and after collision were modeled by non orthogonal Hartree-Fock orbitals. The wave functions parameters are calculated with the Ritz variational method. We improve our unscreened first Born approximation integral cross sections by using the BE-scaled (B stands for binding energy and E excitation energy) method. The second Born approximation has also been used to calculate the excitation cross sections in Debye plasma. Our calculations are compared to other theoretical and experimental results where applicable.

Non-equilibrium lattice dynamics of one-dimensional In chains on Si(111 upon ultrafast optical excitation

Directory of Open Access Journals (Sweden)

T. Frigge

2018-03-01

Full Text Available The photoinduced structural dynamics of the atomic wire system on the Si(111-In surface has been studied by ultrafast electron diffraction in reflection geometry. Upon intense fs-laser excitation, this system can be driven in around 1 ps from the insulating (8×2 reconstructed low temperature phase to a metastable metallic (4×1 reconstructed high temperature phase. Subsequent to the structural transition, the surface heats up on a 6 times slower timescale as determined from a transient Debye-Waller analysis of the diffraction spots. From a comparison with the structural response of the high temperature (4×1 phase, we conclude that electron-phonon coupling is responsible for the slow energy transfer from the excited electron system to the lattice. The significant difference in timescales is evidence that the photoinduced structural transition is non-thermally driven.

Higher-order glass-transition singularities in systems with short-ranged attractive potentials

International Nuclear Information System (INIS)

Goetze, W; Sperl, M

2003-01-01

Within the mode-coupling theory for the evolution of structural relaxation, the A 4 -glass-transition singularities are identified for systems of particles interacting with a hard-sphere repulsion complemented by different short-ranged potentials: Baxter's singular potential regularized by a large-wavevector cut-off, a model for the Asakura-Oosawa depletion attraction, a triangular potential, a Yukawa attraction, and a square-well potential. The regular potentials yield critical packing fractions, critical Debye-Waller factors, and critical amplitudes very close to each other. The elastic moduli and the particle localization lengths for corresponding states of the Yukawa system and the square-well system may differ by up to 20 and 10%, respectively

Vibron Solitons and Soliton-Induced Infrared Spectra of Crystalline Acetanilide

Science.gov (United States)

Takeno, S.

1986-01-01

Red-shifted infrared spectra at low temperatures of amide I (C=O stretching) vibrations of crystalline acetanilide measured by Careri et al. are shown to be due to vibron solitons, which are nonlinearity-induced localized modes of vibrons arising from their nonlinear interactions with optic-type phonons. A nonlinear eigenvalue equation giving the eigenfrequency of stationary solitons is solved approximately by introducing lattice Green's functions, and the obtained result is in good agreement with the experimental result. Inclusion of interactions with acoustic phonons yields the Debye-Waller factor in the zero-phonon line spectrum of vibron solitons, in a manner analogous to the case of impurity-induced localized harmonic phonon modes in alkali halides.

Correlation between temperature dependence of elastic moduli and Debye temperature of paramagnetic metal

International Nuclear Information System (INIS)

Bodryakov, V.Yu.; Povzner, A.A.

2000-01-01

The correlation between the temperature dependence of elastic moduli and the Debye temperature of paramagnetic metal is analyzed in neglect of the temperature dependence of the Poison coefficient σ within the frames of the Debye-Grueneisen presentations. It is shown, that namely the temperature dependence of the elastic moduli determines primarily the temperature dependence of the Debye temperature Θ(T). On the other hand, the temperature dependence Θ(T) very weakly effects the temperature dependence of the elastic moduli. The later made it possible to formulate the self-consistent approach to calculation of the elastic moduli temperature dependence. The numerical estimates of this dependence parameters are conducted by the example of the all around compression modulus of the paramagnetic lutetium [ru

Review of quantum collision dynamics in Debye plasmas

Directory of Open Access Journals (Sweden)

R.K. Janev

2016-09-01

Full Text Available Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations, the interaction between charged plasma particles reduces to the Debye–Hückel (Yukawa-type potential, characterized by the Debye screening length. Due to the importance of Coulomb interaction screening in dense laboratory and astrophysical plasmas, hundreds of theoretical investigations have been carried out in the past few decades on the plasma screening effects on the electronic structure of atoms and their collision processes employing the Debye–Hückel screening model. The present article aims at providing a comprehensive review of the recent studies in atomic physics in Debye plasmas. Specifically, the work on atomic electronic structure, photon excitation and ionization, electron/positron impact excitation and ionization, and excitation, ionization and charge transfer of ion-atom/ion collisions will be reviewed.

Amplitude of Light Scattering by a Truncated Pyramid and Cone in the Rayleigh-Gans-Debye Approximation

Directory of Open Access Journals (Sweden)

Konstantin A. Shapovalov

2013-01-01

Full Text Available The article considers general approach to structured particle and particle system form factor calculation in the Rayleigh-Gans-Debye (RGD approximation. Using this approach, amplitude of light scattering by a truncated pyramid and cone formulas in RGD approximation are obtained. Light scattering indicator by a truncated pyramid and cone in the RGD approximation are calculated.

Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

Energy Technology Data Exchange (ETDEWEB)

MacDonald, M. J., E-mail: macdonm@umich.edu [Applied Physics Program, University of Michigan, Ann Arbor, Michigan 48109 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Vorberger, J. [Helmholtz Zentrum Dresden-Rossendorf, 01328 Dresden (Germany); Gamboa, E. J.; Glenzer, S. H.; Fletcher, L. B. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Drake, R. P. [Climate and Space Sciences and Engineering, Applied Physics, and Physics, University of Michigan, Ann Arbor, Michigan 48109 (United States)

2016-06-07

Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit [Higginbotham, J. Appl. Phys. 115, 174906 (2014)]. Here, we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso-stress) limit. This analysis uses elastic constants to calculate lattice strains for all initial crystallite orientations, enabling elastic anisotropy and sample texture effects to be modeled directly. The effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when interpreting diffraction in dynamic compression experiments.

Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

Science.gov (United States)

Yang, Liqiu

) surfaces, it is concluded that a substrate missing-row type reconstruction is induced by the adsorbates, but the local symmetry is C_{2v} with oxygen atoms at the long-bridge sites for the former and C_{s} with (110) being the only symmetry axis for the latter. In the above theoretical analysis, close contacts are made to many available experimental results such as surface phonon dispersion curves, interlayer relaxations, and Debye -Waller factors and adsorbate-substrate bond lengths.

Relationship between the DC Bias and Debye Length in a Complex Plasma

OpenAIRE

Kong, Jie; Reyes, Jorge C.; Creel, James; Hyde, Truell

2007-01-01

The levitation height of a dust particle layer within a RF discharge plasma sheath is known to be related to the DC bias, the background pressure, and the Debye length. In this paper, a new experimental technique for measurement of the Debye length is introduced. This technique is based on the relationship between an externally applied DC bias and the particle levitation height and shows that under appropriate conditions, the addition of an externally applied DC bias provides a mechanism for ...

Direct in situ thermometry: Variations in reciprocal-lattice vectors and challenges with the Debye–Waller effect

International Nuclear Information System (INIS)

Cremons, Daniel R.; Flannigan, David J.

2016-01-01

Conventional in situ transmission electron microscopy (TEM) enables the atomic-scale study of dynamic materials processes on millisecond time scales. Specimen holders capable of being heated to over 1000 °C have provided insight into myriad processes, including nanoscale thermal transport, structural phase transitions, and catalytic reactions. In order for such studies to be accurate and precise, direct determination of the specimen temperature – rather than the heating-element temperature – is critical. Further, such methods should be versatile in that any temperature across a wide range may be measured, irrespective of single-indicator properties specific to the specimen (e.g., first-order phase transition, melting point, etc.). Here, we describe a rigorous approach to direct, in situ thermometry of TEM specimens that exploits lattice thermal expansion and the resultant decrease in diffraction-vector magnitude in reciprocal space. Via sub-pixel measurement of reciprocal-lattice-vector magnitudes, picometer increases in lattice parameters are measured over a continuous temperature range and compared to those expected from the coefficient of thermal expansion. Statistical treatment of several experimental trials conducted on nanostructured aluminum thin films shows excellent agreement with both theory and (indirect) measurement of the in situ heating holder. Additionally, we illustrate how uncontrolled, thermally-induced variation in single-crystal orientation leads to modulation of the excitation error and, therefore, the Bragg-spot intensities resulting in a convolution of heating and tilting effects, thus complicating temperature determination via the Debye–Waller effect. - Highlights: • A method for direct in situ determination of specimen temperature is described. • Specimen temperature is determined via reciprocal-lattice-vector contraction. • Statistical treatment agrees with the in situ heating-holder thermocouple reading. • Thermally

Eddies in a bottleneck: an arbitrary Debye length theory for capillary electroosmosis.

Science.gov (United States)

Park, Stella Y; Russo, Christopher J; Branton, Daniel; Stone, Howard A

2006-05-15

Using an applied electrical field to drive fluid flows becomes desirable as channels become smaller. Although most discussions of electroosmosis treat the case of thin Debye layers, here electroosmotic flow (EOF) through a constricted cylinder is presented for arbitrary Debye lengths (kappa(-1)) using a long wavelength perturbation of the cylinder radius. The analysis uses the approximation of small potentials. The varying diameter of the cylinder produces radially and axially varying effective electric fields, as well as an induced pressure gradient. We predict the existence of eddies for certain constricted geometries and propose the possibility of electrokinetic trapping in these regions. We also present a leading-order criterion which predicts central eddies in very narrow constrictions at the scale of the Debye length. Eddies can be found both in the center of the channel and along the perimeter, and the presence of the eddies is a consequence of the induced pressure gradient that accompanies electrically driven flow into a narrow constriction.

Debye temperatures of uranium chalcogenides from their lattice ...

Indian Academy of Sciences (India)

Phonon dispersion relations in uranium chalcogenides have been investigated using a modified three-body force shell model. From the phonon frequencies, their Debye temperatures are evaluated. Further, on the basis of the spin fluctuation in the heavy fermion uranium compounds, UPt3 and UBe13, the possible ...

Limitations of the paraxial Debye approximation.

Science.gov (United States)

Sheppard, Colin J R

2013-04-01

In the paraxial form of the Debye integral for focusing, higher order defocus terms are ignored, which can result in errors in dealing with aberrations, even for low numerical aperture. These errors can be avoided by using a different integration variable. The aberrations of a glass slab, such as a coverslip, are expanded in terms of the new variable, and expressed in terms of Zernike polynomials to assist with aberration balancing. Tube length error is also discussed.

Thermodynamics of Binary Mixed Crystals in the Sub-quasi-chemical/Debye Approximation

Science.gov (United States)

van der Kemp, W. J. M.; Verdonk, M. L.

1995-03-01

A new statistical model for the description of the thermodynamic properties of binary mixed crystals is discussed. The model is based on an asymmetrical analogue of the quasi-chemical approximation and the Debye model of a solid. With two interchange -energy parameters and two interchange-Debye-temperature parameters, all important thermodynamic functions, at constant volume, of the binary mixed crystal can be calculated as a function of temperature and composition. The binary system {( 1 - x)Nai + xKI}(s) is used for illustration of the model.

In Situ X-Ray Diffraction Study on Surface Melting of Bi Nanoparticles Embedded in a SiO2 Matrix

International Nuclear Information System (INIS)

Chen Xiao-Ming; Huo Kai-Tuo; Liu Peng

2014-01-01

Bi nanoparticles embedded in a SiO 2 matrix were prepared via the high energy ball milling method. The melting behavior of Bi nanoparticles was studied by means of differential scanning calorimetry (DSC) and high-temperature in situ X-ray diffraction (XRD). DSC cannot distinguish the surface melting from ‘bulk’ melting of the Bi nanoparticles. The XRD intensity of the Bi nanoparticles decreases progressively during the in situ heating process. The variation in the normalized integrated XRD intensity versus temperature is related to the average grain size of Bi nanoparticles. Considering the effects of temperature on Debye—Waller factor and Lorentz-polarization factor, we discuss the XRD results in accordance with surface melting. Our results show that the in situ XRD technique is effective to explore the surface melting of nanoparticles

Numerical analysis of finite Debye-length effects in induced-charge electro-osmosis.

Science.gov (United States)

Gregersen, Misha Marie; Andersen, Mathias Baekbo; Soni, Gaurav; Meinhart, Carl; Bruus, Henrik

2009-06-01

For a microchamber filled with a binary electrolyte and containing a flat unbiased center electrode at one wall, we employ three numerical models to study the strength of the resulting induced-charge electro-osmotic (ICEO) flow rolls: (i) a full nonlinear continuum model resolving the double layer, (ii) a linear slip-velocity model not resolving the double layer and without tangential charge transport inside this layer, and (iii) a nonlinear slip-velocity model extending the linear model by including the tangential charge transport inside the double layer. We show that, compared to the full model, the slip-velocity models significantly overestimate the ICEO flow. This provides a partial explanation of the quantitative discrepancy between observed and calculated ICEO velocities reported in the literature. The discrepancy increases significantly for increasing Debye length relative to the electrode size, i.e., for nanofluidic systems. However, even for electrode dimensions in the micrometer range, the discrepancies in velocity due to the finite Debye length can be more than 10% for an electrode of zero height and more than 100% for electrode heights comparable to the Debye length.

Experimental signatures of a nonequilibrium phase transition governing the yielding of a soft glass.

Science.gov (United States)

Hima Nagamanasa, K; Gokhale, Shreyas; Sood, A K; Ganapathy, Rajesh

2014-06-01

We present direct experimental signatures of a nonequilibrium phase transition associated with the yield point of a prototypical soft solid-a binary colloidal glass. By simultaneously quantifying single-particle dynamics and bulk mechanical response, we identified the threshold for the onset of irreversibility with the yield strain. We extracted the relaxation time from the transient behavior of the loss modulus and found that it diverges in the vicinity of the yield strain. This critical slowing down is accompanied by a growing correlation length associated with the size of regions of high Debye-Waller factor, which are precursors to yield events in glasses. Our results affirm that the paradigm of nonequilibrium critical phenomena is instrumental in achieving a holistic understanding of yielding in soft solids.

Low temperature features of the local structure of Sm1-xYxS

International Nuclear Information System (INIS)

Menushenkov, A. P.; Chernikov, R. V.; Sidorov, V. V.; Klementiev, K. V.; Alekseev, P. A.; Rybina, A. V.

2007-01-01

The particular features of the local electronic and local crystal structures of the mixed-valence compound Sm 1-x Y x S are studied by the XAFS spectroscopy methods in the temperature range 20-300 K for the yttrium concentration x = 0.17, 0.25, 0.33, and 0.45. The temperature behavior of the valence of Sm, as well as of the lengths and the Debye-Waller factors of the bonds Sm-S, Sm-Sm(Y), Y-S, and Y-Sm(Y), has been determined. The violation of the Vegard law has been observed. A model for the estimation of the energy width of the 4f level and of its position with respect to the Fermi level is proposed

Pressure-induced positive electrical resistivity coefficient in Ni-Nb-Zr-H glassy alloy

Science.gov (United States)

Fukuhara, M.; Gangli, C.; Matsubayashi, K.; Uwatoko, Y.

2012-06-01

Measurements under hydrostatic pressure of the electrical resistivity of (Ni0.36Nb0.24Zr0.40)100-xHx (x = 9.8, 11.5, and 14) glassy alloys have been made in the range of 0-8 GPa and 0.5-300 K. The resistivity of the (Ni0.36Nb0.24Zr0.40)86H14 alloy changed its sign from negative to positive under application of 2-8 GPa in the temperature range of 300-22 K, coming from electron-phonon interaction in the cluster structure under pressure, accompanied by deformation of the clusters. In temperature region below 22 K, the resistivity showed negative thermal coefficient resistance by Debye-Waller factor contribution, and superconductivity was observed at 1.5 K.

Einstein-Ehrenfest's radiation theory and Compton-Debye's kinetics

International Nuclear Information System (INIS)

Barranco, A.V.; Franca, H.M.

1990-01-01

Einstein and Ehrenfest's radiation theory is modified in order to introduce the efeects of random zero-point fields, characteristics of classical stochastic electrodynamics. As a result, the Compton and Debye's kinematic relations are obtained within the realm of a completely undulatory theory, that is, without having to consider the corpuscular character of the photon. (A.C.A.S.) [pt

Scattering Light by а Cylindrical Capsule with Arbitrary End Caps in the Rayleigh-Gans-Debye Approximation

Directory of Open Access Journals (Sweden)

K. A. Shapovalov

2015-01-01

Full Text Available The paper concerns the light scattering problem of biological objects of complicated structure.It considers optically “soft” (having a refractive index close to that of a surrounding medium homogeneous cylindrical capsules, composed of three parts: central one that is cylindrical and two symmetrical rounding end caps. Such capsules can model more broad class of biological objects than the ordinary shapes of a spheroid or sphere. But, unfortunately, if a particle has other than a regular geometrical shape, then it is very difficult or impossible to solve the scattering problem analytically in its most general form that oblige us to use numerical and approximate analytical methods. The one of such approximate analytical method is the Rayleigh-Gans-Debye approximation (or the first Born approximation.So, the Rayleigh-Gans-Debye approximation is valid for different objects having size from nanometer to millimeter and depending on wave length and refractive index of an object under small phase shift of central ray.The formulas for light scattering amplitude of cylindrical capsule with arbitrary end caps in the Rayleigh-Gans-Debye approximation in scalar form are obtained. Then the light scattering phase function [or element of scattering matrix f11] for natural incident light (unpolarized or arbitrary polarized light is calculated.Numerical results for light scattering phase functions of cylindrical capsule with conical, spheroidal, paraboloidal ends in the Rayleigh-Gans-Debye approximation are compared. Also numerical results for light scattering phase function of cylindrical capsule with conical ends in the Rayleigh-Gans-Debye approximation and in the method of Purcell-Pennypacker (or Discrete Dipole method are compared. The good agreement within an application range of the RayleighGans-Debye approximation is obtained.Further continuation of the work, perhaps, is a consideration of multilayer cylindrical capsule in the Rayleigh-Gans-Debye

Unprecedented Integral-Free Debye Temperature Formulas: Sample Applications to Heat Capacities of ZnSe and ZnTe

Directory of Open Access Journals (Sweden)

R. Pässler

2017-01-01

Full Text Available Detailed analytical and numerical analyses are performed for combinations of several complementary sets of measured heat capacities, for ZnSe and ZnTe, from the liquid-helium region up to 600 K. The isochoric (harmonic parts of heat capacities, CVh(T, are described within the frame of a properly devised four-oscillator hybrid model. Additional anharmonicity-related terms are included for comprehensive numerical fittings of the isobaric heat capacities, Cp(T. The contributions of Debye and non-Debye type due to the low-energy acoustical phonon sections are represented here for the first time by unprecedented, integral-free formulas. Indications for weak electronic contributions to the cryogenic heat capacities are found for both materials. A novel analytical framework has been constructed for high-accuracy evaluations of Debye function integrals via a couple of integral-free formulas, consisting of Debye’s conventional low-temperature series expansion in combination with an unprecedented high-temperature series representation for reciprocal values of the Debye function. The zero-temperature limits of Debye temperatures have been detected from published low-temperature Cp(T data sets to be significantly lower than previously estimated, namely, 270 (±3 K for ZnSe and 220 (±2 K for ZnTe. The high-temperature limits of the “true” (harmonic lattice Debye temperatures are found to be 317 K for ZnSe and 262 K for ZnTe.

Exact mean-field theory of ionic solutions: non-Debye screening

International Nuclear Information System (INIS)

Varela, L.M.; Garcia, Manuel; Mosquera, Victor

2003-01-01

The main aim of this report is to analyze the equilibrium properties of primitive model (PM) ionic solutions in the formally exact mean-field formalism. Previously, we review the main theoretical and numerical results reported throughout the last century for homogeneous (electrolytes) and inhomogeneous (electric double layer, edl) ionic systems, starting with the classical mean-field theory of electrolytes due to Debye and Hueckel (DH). In this formalism, the effective potential is derived from the Poisson-Boltzmann (PB) equation and its asymptotic behavior analyzed in the classical Debye theory of screening. The thermodynamic properties of electrolyte solutions are briefly reviewed in the DH formalism. The main analytical and numerical extensions of DH formalism are revised, ranging from the earliest extensions that overcome the linearization of the PB equation to the more sophisticated integral equation techniques introduced after the late 1960s. Some Monte Carlo and molecular dynamic simulations are also reviewed. The potential distributions in an inhomogeneous ionic system are studied in the classical PB framework, presenting the classical Gouy-Chapman (GC) theory of the electric double layer (edl) in a brief manner. The mean-field theory is adequately contextualized using field theoretic (FT) results and it is proven that the classical PB theory is recovered at the Gaussian or one-loop level of the exact FT, and a systematic way to obtain the corrections to the DH theory is derived. Particularly, it is proven following Kholodenko and Beyerlein that corrections to DH theory effectively lead to a renormalization of charges and Debye screening length. The main analytical and numerical results for this non-Debye screening length are reviewed, ranging from asymptotic expansions, self-consistent theory, nonlinear DH results and hypernetted chain (HNC) calculations. Finally, we study the exact mean-field theory of ionic solutions, the so-called dressed-ion theory

Debye shielding in a dusty plasma with nonextensively distributed electrons and ions

International Nuclear Information System (INIS)

Liu, Y.; Xu, K.; Liu, S. Q.

2012-01-01

The phenomenon of Debye shielding in dusty plasmas is investigated within the framework of nonextensively distributed electrons and ions. The effects of dust grain charge fluctuation are considered. It shows that the increase of the nonextensive parameters of electrons and ions will lead to the decrease of the shielding distance and it is due to that the effective temperature of nonextensively distributed particles drops with the increase of nonextensive parameters. There is a rather interesting result that the Debye shielding effects may vanish in a certain condition when the fluctuation of the dust grain charges is taken into account.

Direct path from microscopic mechanics to Debye shielding, Landau damping and wave-particle interaction

International Nuclear Information System (INIS)

Escande, D F; Elskens, Yves; Doveil, F

2015-01-01

The derivation of Debye shielding and Landau damping from the N-body description of plasmas is performed directly by using Newton’s second law for the N-body system. This is done in a few steps with elementary calculations using standard tools of calculus and no probabilistic setting. Unexpectedly, Debye shielding is encountered together with Landau damping. This approach is shown to be justified in the one-dimensional case when the number of particles in a Debye sphere becomes large. The theory is extended to accommodate a correct description of trapping and chaos due to Langmuir waves. On top of their well-known production of collisional transport, the repulsive deflections of electrons are shown to produce shielding, in such a way that each particle is shielded by all other ones, while keeping in uninterrupted motion. (paper)

Photoexcitation and ionization of hydrogen atom confined in Debye environment

International Nuclear Information System (INIS)

Lumb, S.; Lumb, S.; Nautiyal, V.

2015-01-01

The dynamics of a hydrogen atom confined in an impenetrable spherical box and under the effect of Debye screening, in the presence of intense short laser pulses of few femtosecond is studied in detail. The energy spectra and wave functions have been calculated using Bernstein polynomial (B-polynomial) method. Variation of transition probabilities for various transitions due to changes in Debye screening length, confinement radius as well as the parameters characterizing applied laser pulse is studied and explained. The results are found to be in good agreement with the results obtained by others. The photoexcitation and ionization of the atom strongly depend on confinement radius and screening parameter. For small confinement radii and for some values of screening parameter the atom is found to be ionized easily. The dynamics of the atom can be easily controlled by varying pulse parameters

A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model

Science.gov (United States)

Xiao, Tiejun; Song, Xueyu

2017-12-01

A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated in a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. Our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.

Disorder in Ag{sub 7}GeSe{sub 5}I, a superionic conductor: temperature-dependent anharmonic structural study

Energy Technology Data Exchange (ETDEWEB)

Albert, S.; Pradel, A.; Ribes, M. [CNRS Montpellier Univ., 34 (France). Inst. Charles Gerhardt Montpellier; Pillet, S.; Lecomte, C. [CNRS Nancy Univ., 54 - Vandoeuvre-les-Nancy (France). Lab. de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques

2008-02-15

A temperature-dependent structural investigation of the substituted argyrodite Ag{sub 7}GeSe{sub 5}I has been carried out on a single crystal from 15 to 475 K, in steps of 50 K, and correlated to its conductivity properties. The argyrodite crystallizes in a cubic cell with the F anti 43m space group. The crystal structure exhibits high static and dynamic disorder which has been efficiently accounted for using a combination of (i) Gram- Charlier development of the Debye-Waller factors for iodine and silver, and (ii) a split-atom model for Ag{sup +} ions. An increased delocalization of the mobile d{sup 10} Ag{sup +} cations with temperature has been clearly shown by the inspection of the joint probability-density functions; the corresponding diffusion pathways have been determined. (orig.)

Size-dependent penetrant diffusion in polymer glasses.

Science.gov (United States)

Meng, Dong; Zhang, Kai; Kumar, Sanat K

2018-05-18

Molecular Dynamics simulations are used to understand the underpinning basis of the transport of gas-like solutes in deeply quenched polymeric glasses. As found in previous work, small solutes, with sizes smaller than 0.15 times the chain monomer size, move as might be expected in a medium with large pores. In contrast, the motion of larger solutes is activated and is strongly facilitated by matrix motion. In particular, solute motion is coupled to the local elastic fluctuations of the matrix as characterized by the Debye-Waller factor. While similar ideas have been previously proposed for the viscosity of supercooled liquids above their glass transition, to our knowledge, this is the first illustration of this concept in the context of solute mass transport in deeply quenched polymer glasses.

Moessbauer Studies of Implanted Impurities in Solids

CERN Multimedia

2002-01-01

Moessbauer studies were performed on implanted radioactive impurities in semiconductors and metals. Radioactive isotopes (from the ISOLDE facility) decaying to a Moessbauer isotope were utilized to investigate electronic and vibrational properties of impurities and impurity-defect structures. This information is inferred from the measured impurity hyperfine interactions and Debye-Waller factor. In semiconductors isoelectronic, shallow and deep level impurities have been implanted. Complex impurity defects have been produced by the implantation process (correlated damage) or by recoil effects from the nuclear decay in both semiconductors and metals. Annealing mechanisms of the defects have been studied. \\\\ \\\\ In silicon amorphised implanted layers have been recrystallized epitaxially by rapid-thermal-annealing techniques yielding highly supersaturated, electrically-active donor concentrations. Their dissolution and migration mechanisms have been investigated in detail. The electronic configuration of Sb donors...

Moessbauer spectroscopy of isotope separator implanted sup(119m)Sn in FCC metals

International Nuclear Information System (INIS)

Larsen, A.N.; Weyer, G.

1979-01-01

Radioactive sup(119m)Sn has been implanted in FCC metals by means of an isotope separator. Moessbauer spectra have been measured for the 24 keV transition of 119 Sn. Large substitutional fractions are found in all cases. A correlation for substitutional lattice sites between the measured isomer shifts of the impurity atoms and the force constants of the host lattices is discussed. Debye-Waller factors determined for substitutional Sn in the host lattices are found to be smaller than values calculated by a simple mass-defect model. For some host metals indications of an influence of radiation damage on the spectra are observed. Defect sites are assigned to Sn in aluminium and lead. Qualitative conclusions on the structures of these defects are drawn from the determined Moessbauer parameters. (author)

High pressure and high temperature EXAFS and diffraction study of AgI

International Nuclear Information System (INIS)

Yoshiasa, Akira; Arima, Hiroshi; Fukui, Hiroshi; Okube, Maki; Katayama, Yoshinori; Ohtaka, Osamu

2009-01-01

We have determined the precise P-T phase diagram of AgI by in-situ high-pressure high-temperature synchrotron experiments. X-ray diffraction and XAFS measurements were performed up to 6.0 GPa and 1100 K using a multi-anvil high-pressure device and synchrotron radiation from SPring-8. In the disordered rock-salt phase, Ag ions occupy both octahedral and tetrahedral sites and twenty percent of Ag ions occupy the tetrahedral site as a maximum value at 2 GPa. From the viewpoint of the local structure analyses, some sudden changes are recognized near broad phase transition point. Analysis of EXAFS Debye-Waller factor is useful because the force constant can be decided directly even at high pressure and high temperature. Pressure influences greatly the effective potential and anharmonicity decreases with increasing pressure. (author)

Heat capacity of ThO2

International Nuclear Information System (INIS)

Peng Shian

1996-01-01

The heat capacity C p of ThO 2 can be calculated as the phonon part of C p for other actinide dioxides used as fuel in nuclear reactors. Precise determination of the phonon part of C p of actinide dioxides is helpful to find out the contributions of other factors to C p . In this paper we have, through studying the heat capacity of ThO 2 , developed a general method applicable to the study of C p of other solids. In the developed method the three type -- different experimental measurements made on a solid-heat capacity, thermal expansion and Debye Waller factor -- can be brought together for comparison. The application of this method to the study of C p of ThO 2 has enabled us to propose a better description of C p of ThO 2 than the generally accepted expression

Subcell Debye behavior analysis of order–disorder effects in triple-junction InGaP-based photovoltaic solar cells

International Nuclear Information System (INIS)

Hsiao, Jui-Ju; Chen, Hung-Ing; Huang, Yi-Jen; Wang, Jen-Cheng; Lu, Bing-Yuh; Wu, Ya-Fen; Nee, Tzer-En

2015-01-01

Analysis was made of the Subcell Debye behavior of the order–disorder effects in triple-junction InGaP-based photovoltaic solar cells fabricated by a metal organic vapor phase epitaxy (MOVPE) system with careful adjustment of the growth conditions. The order–disorder configurations of the InGaP subcells were investigated after post-annealing treatment at various temperatures in a nitrogen atmosphere. Temperature-dependent photoluminescence (PL) measurements over a broad temperature range provided insight into the roles of the thermophysical phenomena connected with the ordering and disordering in the InGaP alloys. The thermally-related spectroscopic observations associated with the ordering effects on the photon–phonon interactions were confirmed by the McCumber–Sturge theory. The variations of both the full width at half-maximum (FWHM) and shift in the peak of PL with temperature were analyzed. According to the width-related PL observations the effective photon–phonon coupling coefficient and the Debye temperature were 0.53 meV and 424 K, respectively; according to shift-related PL observations of the as-grown sample they were 0.3247 eV and 430 K, respectively, for the width-related PL observation they were 0.29 meV and 421 K; and from the shift-related PL observations for the as-grown ordered samples they were 0.3142 eV and 425 K, respectively, implying that the spontaneously disordered InGaP heterostructures met the demand for improvement of photovoltaic devices. Both the effective photon–phonon coupling coefficient and the Debye temperatures were characterized as functions of the annealing temperature. The Debye temperatures obtained for the disordered and ordered top subcells were consistent with the universal Gruneisen–Bloch relation. - Highlights: • Analysis was made of the Subcell Debye behavior in photovoltaic solar cells. • The order–disorder configurations of the InGaP subcells were investigated. • The Debye temperatures were

Subcell Debye behavior analysis of order–disorder effects in triple-junction InGaP-based photovoltaic solar cells

Energy Technology Data Exchange (ETDEWEB)

Hsiao, Jui-Ju; Chen, Hung-Ing; Huang, Yi-Jen; Wang, Jen-Cheng [Graduate Institute of Electro-Optical Engineering and Department of Electronic Engineering, Chang Gung University, 259 Wen-Hwa 1st Road, Kwei-Shan, Tao-Yuan, Taiwan ROC (China); Lu, Bing-Yuh [Department of Electronic Engineering, Tungnan University, No.152, Sec. 3, Beishen Road, Shenkeng District, New Taipei City, Taiwan ROC (China); Wu, Ya-Fen [Department of Electronic Engineering, Ming Chi University of Technology, 84 Gungjuan Road, Taishan District, New Taipei City, Taiwan ROC (China); Nee, Tzer-En, E-mail: neete@mail.cgu.edu.tw [Graduate Institute of Electro-Optical Engineering and Department of Electronic Engineering, Chang Gung University, 259 Wen-Hwa 1st Road, Kwei-Shan, Tao-Yuan, Taiwan ROC (China)

2015-12-15

Analysis was made of the Subcell Debye behavior of the order–disorder effects in triple-junction InGaP-based photovoltaic solar cells fabricated by a metal organic vapor phase epitaxy (MOVPE) system with careful adjustment of the growth conditions. The order–disorder configurations of the InGaP subcells were investigated after post-annealing treatment at various temperatures in a nitrogen atmosphere. Temperature-dependent photoluminescence (PL) measurements over a broad temperature range provided insight into the roles of the thermophysical phenomena connected with the ordering and disordering in the InGaP alloys. The thermally-related spectroscopic observations associated with the ordering effects on the photon–phonon interactions were confirmed by the McCumber–Sturge theory. The variations of both the full width at half-maximum (FWHM) and shift in the peak of PL with temperature were analyzed. According to the width-related PL observations the effective photon–phonon coupling coefficient and the Debye temperature were 0.53 meV and 424 K, respectively; according to shift-related PL observations of the as-grown sample they were 0.3247 eV and 430 K, respectively, for the width-related PL observation they were 0.29 meV and 421 K; and from the shift-related PL observations for the as-grown ordered samples they were 0.3142 eV and 425 K, respectively, implying that the spontaneously disordered InGaP heterostructures met the demand for improvement of photovoltaic devices. Both the effective photon–phonon coupling coefficient and the Debye temperatures were characterized as functions of the annealing temperature. The Debye temperatures obtained for the disordered and ordered top subcells were consistent with the universal Gruneisen–Bloch relation. - Highlights: • Analysis was made of the Subcell Debye behavior in photovoltaic solar cells. • The order–disorder configurations of the InGaP subcells were investigated. • The Debye temperatures were

A genetic algorithm for optimizing multi-pole Debye models of tissue dielectric properties

International Nuclear Information System (INIS)

Clegg, J; Robinson, M P

2012-01-01

Models of tissue dielectric properties (permittivity and conductivity) enable the interactions of tissues and electromagnetic fields to be simulated, which has many useful applications in microwave imaging, radio propagation, and non-ionizing radiation dosimetry. Parametric formulae are available, based on a multi-pole model of tissue dispersions, but although they give the dielectric properties over a wide frequency range, they do not convert easily to the time domain. An alternative is the multi-pole Debye model which works well in both time and frequency domains. Genetic algorithms are an evolutionary approach to optimization, and we found that this technique was effective at finding the best values of the multi-Debye parameters. Our genetic algorithm optimized these parameters to fit to either a Cole–Cole model or to measured data, and worked well over wide or narrow frequency ranges. Over 10 Hz–10 GHz the best fits for muscle, fat or bone were each found for ten dispersions or poles in the multi-Debye model. The genetic algorithm is a fast and effective method of developing tissue models that compares favourably with alternatives such as the rational polynomial fit. (paper)

Two independent measurements of Debye lengths in doped nonpolar liquids.

Science.gov (United States)

Prieve, D C; Hoggard, J D; Fu, R; Sides, P J; Bethea, R

2008-02-19

Electric current measurements were performed between 2.5 cm x 7.5 cm parallel-plate electrodes separated by 1.2 mm of heptane doped with 0-15% w/w poly(isobutylene succinimide) (PIBS) having a molecular weight of about 1700. The rapid (microsecond) initial charging of the capacitor can be used to infer the dielectric constant of the solution. The much slower decay of current arising from the polarization of electrodes depends on the differential capacitance of the diffuse clouds of charge carriers accumulating next to each electrode and on the ohmic resistance of the fluid. Using the Gouy-Chapman model for the differential capacitance, Debye lengths of 80-600 nm were deduced that decrease with increasing concentration of PIBS. Values of the Debye lengths were confirmed by performing independent measurements of double-layer repulsion between a 6 microm polystyrene (PS) latex sphere and a PS-coated glass plate using total internal reflection microscopy in the same solutions. The charge carriers appear to be inverted PIBS micelles having apparent Stokes diameters of 20-40 nm. Dynamic light scattering reveals a broad distribution of sizes having an intensity-averaged diameter of 15 nm. This smaller size might arise (1) from overestimating the electrophoretic mobility of micelles by treating them as point charges or (2) because charged micelles are larger on average than uncharged micelles. When Faradaic reactions and zeta potentials on the electrodes can be neglected, such current versus time experiments yield values for the Debye length and ionic strength with less effort than force measurements. To obtain the concentration of charge carriers from measurements of conductivity, the mobility of the charge carriers must be known.

Coordination-resolved local bond relaxation, electron binding-energy shift, and Debye temperature of Ir solid skins

Energy Technology Data Exchange (ETDEWEB)

Bo, Maolin [Key Laboratory of Low-Dimensional Materials and Application Technologies, Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105 (China); Wang, Yan [Key Laboratory of Low-Dimensional Materials and Application Technologies, Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105 (China); School of Information and Electronic Engineering, Hunan University of Science and Technology, Xiangtan, Hunan 411201 (China); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies, Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105 (China); Yang, Xuexian [Department of Physics, Jishou University, Jishou, Hunan 416000 (China); Yang, Yezi [Key Laboratory of Low-Dimensional Materials and Application Technologies, Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105 (China); Li, Can [Center for Coordination Bond Engineering, School of Materials Science and Engineering, China Jiliang University, Hangzhou 330018 (China); Sun, Chang Q., E-mail: ecqsun@ntu.edu.sg [Key Laboratory of Low-Dimensional Materials and Application Technologies, Ministry of Education, Xiangtan University, Xiangtan, Hunan 411105 (China); NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore)

2014-11-30

Highlights: • Cohesive energy of the representative bond determines the core-level shift. • XPS derives the energy level of an isolated atom and its bulk shift. • XPS derives the local bond length, bond energy, binding energy density. • Thermal XPS resolves the Debye temperature and atomic cohesive energy. - Abstract: Numerical reproduction of the measured 4f{sub 7/2} energy shift of Ir(1 0 0), (1 1 1), and (2 1 0) solid skins turns out the following: (i) the 4f{sub 7/2} level of an isolated Ir atom shifts from 56.367 eV to 60.332 eV by 3.965 eV upon bulk formation; (ii) the local energy density increases by up to 130% and the atomic cohesive energy decreases by 70% in the skin region compared with the bulk values. Numerical match to observation of the temperature dependent energy shift derives the Debye temperature that varies from 285.2 K (Surface) to 315.2 K (Bulk). We clarified that the shorter and stronger bonds between under-coordinated atoms cause local densification and quantum entrapment of electron binding energy, which perturbs the Hamiltonian and the core shifts in the skin region.

Rigorous study of the mean field approximation of Debye and Hueckel for Coulomb systems

International Nuclear Information System (INIS)

Kennedy, T.G.

1984-01-01

The statistical mechanics of a classical charge symmetric Coulomb system is studied in three dimensions in the limit that the plasma parameter (the inverse temperature divided by the Debye length) goes to zero. To make the system stable, a short range interaction, e.g., hard cores is included. This short range interaction is allowed to go to zero as the plasma parameter goes to zero. Debye and Hueckel used a mean field approximation to give a nonrigorous study of Coulomb systems in his limit. For a system with no external charge distribution, it is shown that the pressure, density, and correlation functions are asymptotic to their Debye-Hueckel approximations. These approximations consist of the ideal gas term plus a term of one lower order in the plasma parameter. The main tools are the Sine-Gordon transformation, the Mayer expansion, and some new correlation inequalities. The sine-Gordon transformation and the Mayer expansion are used to express the observables as functional integrals with respect to a Gaussian measure. The correlation inequalities help control these functional integrals

A gradient approximation for calculating Debye temperatures from pairwise interatomic potentials

International Nuclear Information System (INIS)

Jackson, D.P.

1975-09-01

A simple gradient approximation is given for calculating the effective Debye temperature of a cubic crystal from central pairwise interatomic potentials. For examples of the Morse potential applied to cubic metals the results are in generally good agreement with experiment. (author)

Measurements of the Casimir-Lifshitz force in fluids: The effect of electrostatic forces and Debye screening

Science.gov (United States)

Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian; Bezrukov, Sergey M.

2008-09-01

We present detailed measurements of the Casimir-Lifshitz force between two gold surfaces (a sphere and a plate) immersed in ethanol and study the effect of residual electrostatic forces, which are dominated by static fields within the apparatus and can be reduced with proper shielding. Electrostatic forces are further reduced by Debye screening through the addition of salt ions to the liquid. Additionally, the salt leads to a reduction of the Casimir-Lifshitz force by screening the zero-frequency contribution to the force; however, the effect is small between gold surfaces at the measured separations and within experimental error. An improved calibration procedure is described and compared with previous methods. Finally, the experimental results are compared with Lifshitz’s theory and found to be consistent for the materials used in the experiment.

Non-perturbative Debye mass in finite-T QCD

CERN Document Server

Kajantie, Keijo; Peisa, J; Rajantie, A; Rummukainen, K; Shaposhnikov, Mikhail E

1997-01-01

Employing a non-perturbative gauge invariant definition of the Debye screening mass m_D in the effective field theory approach to finite T QCD, we use 3d lattice simulations to determine the leading O(g^2) and to estimate the next-to-leading O(g^3) corrections to m_D in the high temperature region. The O(g^2) correction is large and modifies qualitatively the standard power-counting hierarchy picture of correlation lengths in high temperature QCD.

Electrostatic attraction between overall neutral surfaces.

Science.gov (United States)

Adar, Ram M; Andelman, David; Diamant, Haim

2016-08-01

Two overall neutral surfaces with positively and negatively charged domains ("patches") have been shown in recent experiments to exhibit long-range attraction when immersed in an ionic solution. Motivated by the experiments, we calculate analytically the osmotic pressure between such surfaces within the Poisson-Boltzmann framework, using a variational principle for the surface-averaged free energy. The electrostatic potential, calculated beyond the linear Debye-Hückel theory, yields an overall attraction at large intersurface separations, over a wide range of the system's controlled length scales. In particular, the attraction is stronger and occurs at smaller separations for surface patches of larger size and charge density. In this large patch limit, we find that the attraction-repulsion crossover separation is inversely proportional to the square of the patch-charge density and to the Debye screening length.

On Debye radius measurement in an unstable gas discharged plasma

International Nuclear Information System (INIS)

Shvilkin, B.N.

1998-01-01

It is shown that at low concentrations of charged particles conditions can be realized in a magnetized unstable-to-drift plasma for which concentration perturbations are comparable to the concentration itself. The electron temperature is then determined by potential fluctuations, and the drift oscillation wavelength is of the order of the Debye length

Doubly excited P-wave resonance states of H− in Debye plasmas

International Nuclear Information System (INIS)

Jiao, L. G.; Ho, Y. K.

2013-01-01

We investigate the doubly excited P-wave resonance states of H − system in Debye plasmas modeled by static screened Coulomb potentials. The screening effects of the plasma environment on resonance parameters (energy and width) are investigated by employing the complex-scaling method with Hylleraas-type wave functions for both the shape and Feshbach resonances associated with the H(N = 2 to 6) thresholds. Under the screening conditions, the H(N) threshold states are no longer l degenerate, and all the H − resonance energy levels are shifted away from their unscreened values toward the continuum. The influence of Debye plasmas on resonance widths has also been investigated. The shape resonance widths are broadened with increasing plasma screening strength, whereas the Feshbach resonance widths would generally decrease. Our results associated with the H(N = 2) and H(N = 3) thresholds are compared with others in the literature

Nonabelian Debye screening and the {open_quotes}tsunami{close_quotes} problem

Energy Technology Data Exchange (ETDEWEB)

Pisarski, R.D. [Brookhaven National Lab., Upton, NY (United States)

1997-09-22

The phenomenon of Debye screening is familiar from electrolytes and many other systems. Recently, it has been recognized that in nonabelian gauge theories at high temperature, even perturbatively Debye screening is much more complicated than in nonrelativistic systems. This was originally derived as {open_quotes}hard thermal loops{close_quotes}. Hard thermal loops have been derived perturbatively, by a semiclassical truncation of the Schwinger-Dyson equations, and by classical kinetic theory. In this talk I give a pedagogical derivation, following that of Kelly, Liu, Lucchesi, and Manuel. The derivation is valid not just for a thermal distribution, but (modulo certain obvious restrictions) for an arbitrary initial distribution of particles. Consider, for example, the {open_quotes}tsunami{close_quotes} problem: suppose that one starts, at time t = 0, with a spatially homogenous, infinite wall of particles, all moving with the same velocity at the speed of light.

Absence of Debye screening in the quantum Coulomb system

International Nuclear Information System (INIS)

Brydges, D.C.; Keller, G.

1994-01-01

We present an approximation to the quantum Coulomb plasma at equilibrium which captures the power-law violations of Debye screening which have been reported in recent papers. The objectives are (1) to produce a simpler model which we will study in forthcoming papers, and (2) to develop a strategy by which the absence of screening can be proven for the low-density quantum Coulomb plasma itself

Debye frequency and interplay of superconductivity and antiferromagnetism in high Tc superconductors

International Nuclear Information System (INIS)

Panigrahy, N.N.; Mahapatra, D.; Panda, B.N.; Rout, G.C.

2006-01-01

The interplay between superconductivity (SC) and antiferromagnetism (AFM) is studied in strongly correlated systems: R 2-x M x CuO 4 (R = Nd, La, Pr. Gd; M = Sr, Ce) due to electron-phonon interaction, It is assumed that SC arises due to BCS pairing mechanism in presence of AFM in Cu lattices of Cu-O planes, Debye frequency ω D dependence of high temperature SC gap as well as staggered magnetic field at different temperatures are calculated analytically and solved self-consistently with respect to half-filled band situation for different model parameters (temperature parameter θ and hybridization parameter ν, λ 1 and λ 2 being the SC and AF coupling parameters, respectively). The SC gap and AFM gap are studied in their coexistence phase for different Debye frequencies. (author)

An Investigation on the He−(1s2s2 2S Resonance in Debye Plasmas

Directory of Open Access Journals (Sweden)

Arijit Ghoshal

2017-01-01

Full Text Available The effect of Debye plasma on the 1 s 2 s 2 2 S resonance states in the scattering of electron from helium atom has been investigated within the framework of the stabilization method. The interactions among the charged particles in Debye plasma have been modelled by Debye–Huckel potential. The 1 s 2 s excited state of the helium atom has been treated as consisting of a H e + ionic core plus an electron moving around. The interaction between the core and the electron has then been modelled by a model potential. It has been found that the background plasma environment significantly affects the resonance states. To the best of our knowledge, such an investigation of 1 s 2 s 2 2 S resonance states of the electron–helium system embedded in Debye plasma environment is the first reported in the literature.

Numerical investigation of three-dimensional single-species plasma equilibria on magnetic surfaces

International Nuclear Information System (INIS)

Lefrancois, Remi G.; Pedersen, Thomas Sunn; Boozer, Allen H.; Kremer, Jason P.

2005-01-01

Presented for the first time are numerical solutions to the three-dimensional nonlinear equilibrium equation for single-species plasmas confined on magnetic surfaces and surrounded by an equipotential boundary. The major-radial shift of such plasmas is found to be outward, qualitatively similar to the Shafranov shift of quasineutral plasmas confined on magnetic surfaces. However, this is the opposite of what occurs in the pure toroidal field equilibria of non-neutral plasmas (i.e., in the absence of magnetic surfaces). The effect of varying the number of Debye lengths in the plasma for the three-dimensional (3D) model is in agreement with previous 2D calculations: the potential varies significantly on magnetic surfaces for plasmas with few Debye lengths (a d ), and tends to be constant on surfaces when many Debye lengths are present (a > or approx. 10λ d ). For the case of a conducting boundary that does not conform to the outer magnetic surface, the plasma is shifted towards the conductor and the potential varies significantly on magnetic surfaces near the plasma edge. Debye shielding effects are clearly demonstrated when a nonuniform bias is applied to the boundary. Computed equilibrium profiles are presented for the Columbia Non-Neutral Torus [T. S. Pedersen, A. H. Boozer, J. P. Kermer, R. Lefrancois, F. Dahlgren, N. Pomphrey, W. Reiersen, and W. Dorland, Fusion Sci. Technol. 46, 200 (2004)], a stellarator designed to confine non-neutral plasmas

Calculations of thermophysical properties of cubic carbides and nitrides using the Debye-Grueneisen model

International Nuclear Information System (INIS)

Lu Xiaogang; Selleby, Malin; Sundman, Bo

2007-01-01

The thermal expansivities and heat capacities of MX (M = Ti, Zr, Hf, V, Nb, Ta; X = C, N) carbides and nitrides with NaCl structure were calculated using the Debye-Grueneisen model combined with ab initio calculations. Two different approximations for the Grueneisen parameter γ were used in the Debye-Grueneisen model, i.e. the expressions proposed by Slater and by Dugdale and MacDonald. The thermal electronic contribution was evaluated from ab initio calculations of the electronic density of states. The calculated results were compared with CALPHAD assessments and experimental data. It was found that the calculations using the Dugdale-MacDonald γ can account for most of the experimental data. By fitting experimental heat capacity and thermal expansivity data below the Debye temperatures, an estimation of Poisson's ratio was obtained and Young's and shear moduli were evaluated. In order to reach a reasonable agreement with experimental data, it was necessary to use the logarithmic averaged mass of the constituent atoms. The agreements between the calculated and the experimental values for the bulk and Young's moduli are generally better than the agreement for shear modulus

The electrostatic interaction of two point charges in equilibrium plasmas within the Debye approximation

International Nuclear Information System (INIS)

Filippov, A V

2015-01-01

This paper is devoted to a careful study of two charge interaction in an equilibrium plasma within the Debye approximation. The effect of external boundary conditions for the electric field strength and potential on the electrostatic force is studied. The problem is solved by the method of potential decomposition into Legendre polynomials up to the fifth multipole term included. It is shown that the effect of attraction of identically charged macroparticles is explained by the influence of the external boundary. When the size of a calculation cell is increased the attraction effect disappears and the electrostatic force is well described by the screened Debye-Hückel potential. (paper)

The Debye-Hückel theory and its importance in modeling electrolyte solutions

DEFF Research Database (Denmark)

Kontogeorgis, Georgios M.; Maribo-Mogensen, Bjørn; Thomsen, Kaj

2018-01-01

A colleague at the Technical University of Denmark has often stated: “Life is too short for electrolytes”. Another well-known scientist in the field of molecular simulation has recently said during an international Thermodynamics conference: “All my life I have tried to keep myself away from water...... and electrolytes”. Sadly, what these statements correctly imply is that there are far too many unclear questions and concepts in electrolyte thermodynamics, and associated difficulties in modeling electrolyte solutions. In this work, we attempt to shed some light on some important concepts and misconceptions...... are omitted. We first discuss the peculiarities of electrolyte thermodynamics and associated modeling and continue with the derivation of the Debye-Hückel theory. The assumptions and limits of application of Debye-Hückel are discussed in particular. Next, the Born term and its significance and implications...

The structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles

International Nuclear Information System (INIS)

Qi, Lei; Jin, Yuchun; Zhao, Yuhong; Yang, Xiaomin; Zhao, Hui; Han, Peide

2015-01-01

Highlights: • Structural, elastic, electronic properties and Debye temperature under pressure. • Higher hardness of Ni 3 Mo compound may be obtained when pressure increases. • Proper pressure can improve the ductility but excess pressure was just the opposite. • Ni 3 Mo compound has no structural phase transformation under pressure up to 30 GPa. • Debye temperatures increase with increasing pressure. - Abstract: With the help of first principles method based on density functional theory, the structural, elastic, electronic properties and Debye temperature of Ni 3 Mo binary compound under pressure are investigated. Our calculated structural parameters are in good agreement with experimental and previous theoretical results. The obtained elastic constants show that Ni 3 Mo compound is mechanically stable. Elastic properties such as bulk modulus B, shear modulus G, Young’s modulus E and Poisson’s ratio υ are calculated by the Voigt–Reuss–Hill method. The results of B/G under various pressures show that proper pressure can improve the ductility of Ni 3 Mo but excess pressure will make the ductility decrease. In addition, the density of states as a function of pressure is analyzed. The Debye temperature Θ D calculated from elastic constants increases along with the pressure

First-principles study of crystalline and amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} and the effects of stoichiometric defects

Energy Technology Data Exchange (ETDEWEB)

Caravati, S; Bernasconi, M [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via R Cozzi 53, I-20125, Milano (Italy); Kuehne, T D; Parrinello, M [Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Krack, M [Paul Scherrer Institut, CH-5232 Villigen (Switzerland)], E-mail: marco.bernasconi@mater.unimib.it

2009-06-24

Based on ab initio molecular dynamics simulations, we investigated the structural, electronic and vibrational properties of cubic and amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} (GST) phase change material, focusing in particular on the effects of defects in stoichiometry on the electronic properties. It turned out Ge/Sb deficiencies (excess) in the cubic phase induce a shift of the Fermi level inside the valence (conduction) bands. In contrast, the amorphous network is flexible enough to accommodate defects in stoichiometry, keeping the Fermi level pinned at the center of the bandgap (at zero temperature). Changes in the structural and electronic properties induced by the use of hybrid functionals (HSE03, PBE0) instead of gradient corrected functionals (PBE) are addressed as well. Analysis of vibrational spectra and Debye-Waller factors of cubic and amorphous GST is also presented.

Electron-lattice energy relaxation in laser-excited thin-film Au-insulator heterostructures studied by ultrafast MeV electron diffraction.

Science.gov (United States)

Sokolowski-Tinten, K; Shen, X; Zheng, Q; Chase, T; Coffee, R; Jerman, M; Li, R K; Ligges, M; Makasyuk, I; Mo, M; Reid, A H; Rethfeld, B; Vecchione, T; Weathersby, S P; Dürr, H A; Wang, X J

2017-09-01

We apply time-resolved MeV electron diffraction to study the electron-lattice energy relaxation in thin film Au-insulator heterostructures. Through precise measurements of the transient Debye-Waller-factor, the mean-square atomic displacement is directly determined, which allows to quantitatively follow the temporal evolution of the lattice temperature after short pulse laser excitation. Data obtained over an extended range of laser fluences reveal an increased relaxation rate when the film thickness is reduced or the Au-film is capped with an additional insulator top-layer. This behavior is attributed to a cross-interfacial coupling of excited electrons in the Au film to phonons in the adjacent insulator layer(s). Analysis of the data using the two-temperature-model taking explicitly into account the additional energy loss at the interface(s) allows to deduce the relative strength of the two relaxation channels.

Neutron powder investigations of Zr0.85Ca0.15O1.85 sinter material at temperatures up to 1100 K and with a simultaneously applied electric field

International Nuclear Information System (INIS)

Kahlert, H.; Boysen, H.; Frey, F.

1998-01-01

In situ neutron powder investigations of cubic stabilized zirconia [Zr 0.85 Ca 0.15 O 1.85 (CSZ15)] sinter material were performed at room temperature without an applied direct-current electric field and at 1100 K with and without an applied field, i.e. lasting ionic current. Experimental conditions (temperature, oxidizing atmosphere etc.) were chosen as close as possible to 'working conditions' of zirconia oxygen sensoric devices. To learn about field-induced structural changes and most probable ionic pathways, atomic displacement parameters were derived in the frame of a non-Gaussian Debye-Waller factor formalism for the oxygens. Probability-density-function maps and pseudo-potential (V eff ) maps indicate curved diffusion pathways of the oxygens close to the left angle 100 right angle directions. The action of the applied field is to lower the effective potential barriers. (orig.)

Neutral Silicon-Vacancy Center in Diamond: Spin Polarization and Lifetimes

Science.gov (United States)

Green, B. L.; Mottishaw, S.; Breeze, B. G.; Edmonds, A. M.; D'Haenens-Johansson, U. F. S.; Doherty, M. W.; Williams, S. D.; Twitchen, D. J.; Newton, M. E.

2017-09-01

We demonstrate optical spin polarization of the neutrally charged silicon-vacancy defect in diamond (SiV0 ), an S =1 defect which emits with a zero-phonon line at 946 nm. The spin polarization is found to be most efficient under resonant excitation, but nonzero at below-resonant energies. We measure an ensemble spin coherence time T2>100 μ s at low-temperature, and a spin relaxation limit of T1>25 s . Optical spin-state initialization around 946 nm allows independent initialization of SiV0 and NV- within the same optically addressed volume, and SiV0 emits within the telecoms down-conversion band to 1550 nm: when combined with its high Debye-Waller factor, our initial results suggest that SiV0 is a promising candidate for a long-range quantum communication technology.

Debye–Einstein approximation approach to calculate the lattice specific heat and related parameters for a Si nanowire

Directory of Open Access Journals (Sweden)

A. KH. Alassafee

2017-11-01

Full Text Available The modified Debye–Einstein approximation model is used to calculate nanoscale size-dependent values of Gruneisen parameters and lattice specific heat capacity for Si nanowires. All parameters forming the model, including Debye temperatures, bulk moduli, the lattice thermal expansion and the lattice volume, are calculated according to their nanoscale size dependence. Values for lattice volume Gruneisen parameters increase with the decrease of the nanowires’ diameter, while all other parameters decrease. The nanosize dependence of lattice thermal parameters agree with other reported theoretical results. Keywords: Lattice specific heat capacity, Gruneisen parameter, Debye–Einstein model, Si nanowires

Low temperature heat capacities and thermodynamic functions described by Debye-Einstein integrals.

Science.gov (United States)

Gamsjäger, Ernst; Wiessner, Manfred

2018-01-01

Thermodynamic data of various crystalline solids are assessed from low temperature heat capacity measurements, i.e., from almost absolute zero to 300 K by means of semi-empirical models. Previous studies frequently present fit functions with a large amount of coefficients resulting in almost perfect agreement with experimental data. It is, however, pointed out in this work that special care is required to avoid overfitting. Apart from anomalies like phase transformations, it is likely that data from calorimetric measurements can be fitted by a relatively simple Debye-Einstein integral with sufficient precision. Thereby, reliable values for the heat capacities, standard enthalpies, and standard entropies at T  = 298.15 K are obtained. Standard thermodynamic functions of various compounds strongly differing in the number of atoms in the formula unit can be derived from this fitting procedure and are compared to the results of previous fitting procedures. The residuals are of course larger when the Debye-Einstein integral is applied instead of using a high number of fit coefficients or connected splines, but the semi-empiric fit coefficients keep their meaning with respect to physics. It is suggested to use the Debye-Einstein integral fit as a standard method to describe heat capacities in the range between 0 and 300 K so that the derived thermodynamic functions are obtained on the same theory-related semi-empiric basis. Additional fitting is recommended when a precise description for data at ultra-low temperatures (0-20 K) is requested.

New determination of the vapour pressures of the isotopes of neon

International Nuclear Information System (INIS)

Roth, R.

1960-03-01

We have undertaken an experimental reinvestigation of the vapor pressures of the neon isotopes over the temperature range 16.30-30.1 deg. K. Measurements were made by differential manometry in a Giauque-Johnston type cryostat modified for temperature stability. The New sample contained 99.9 % Ne 20 and the Ne 22 sample contained 72,2 % Ne 22 . Extrapolation to pure Ne 20 and Ne 22 can be made with sufficient accuracy by the use of Raoult's law. Our results are in substantial agreement with those of Keesom and Haantjes. At 20 deg. K, where the scatter in our data is an order of magnitude smaller than in the data of Keesom and Haantjes, we find In P Ne 20 /P Ne 22 is 6 % larger than the smoothed line given by them. For solid neon, our data can be represented to a high accuracy by a Debye harmonic lattice with θ D (Ne 20 ) = 74.6 deg. K. The result may be compared with the value obtained by Henshaw from the Debye-Waller temperature factor, θ D = 73 deg. K, and with the recent calculation of the zero point energy of Ne by Bernardes, from which he obtains θ D 8E θ /9R = 73 deg.. K. (author) [fr

Debye-scale solitary structures measured in a beam-plasma laboratory experiment

Directory of Open Access Journals (Sweden)

B. Lefebvre

2011-01-01

Full Text Available Solitary electrostatic pulses have been observed in numerous places of the magnetosphere such as the vicinity of reconnection current sheets, shocks or auroral current systems, and are often thought to be generated by energetic electron beams. We present results of a series of experiments conducted at the UCLA large plasma device (LAPD where a suprathermal electron beam was injected parallel to a static magnetic field. Micro-probes with tips smaller than a Debye length enabled the detection of solitary pulses with positive electric potential and half-widths 4–25 Debye lengths (λ_De, over a set of experiments with various beam energies, plasma densities and magnetic field strengths. The shape, scales and amplitudes of the structures are similar to those observed in space, and consistent with electron holes. The dependance of these properties on the experimental parameters is shown. The velocities of the solitary structures (1–3 background electron thermal velocities are found to be much lower than the beam velocities, suggesting an excitation mechanism driven by parallel currents associated to the electron beam.

The non-perturbative QCD Debye mass from a Wilson line operator

CERN Document Server

Laine, Mikko

1999-01-01

According to a proposal by Arnold and Yaffe, the non-perturbative g^2T-contribution to the Debye mass in the deconfined QCD plasma phase can be determined from a single Wilson line operator in the three-dimensional pure SU(3) gauge theory. We extend a previous SU(2) measurement of this quantity to the physical SU(3) case. We find a numerical coefficient which is more accurate and smaller than that obtained previously with another method, but still very large compared with the naive expectation: the correction is larger than the leading term up to T ~ 10^7 T_c, corresponding to g^2 ~ 0.4. At moderate temperatures T ~ 2 T_c, a consistent picture emerges where the Debye mass is m_D ~ 6T, the lightest gauge invariant screening mass in the system is ~ 3T, and the purely magnetic operators couple dominantly to a scale ~ 6T. Electric (~ gT) and magnetic (~ g^2T) scales are therefore strongly overlapping close to the phase transition, and the colour-electric fields play an essential role in the dynamics.

Bernoulli Numbers: from Ada Lovelace to the Debye Functions

OpenAIRE

Sparavigna , Amelia Carolina

2016-01-01

Jacob Bernoulli owes his fame for the numerous contributions to calculus and for his discoveries in the field of probability. Here we will discuss one of his contributions to the theory of numbers, the Bernoulli numbers. They were proposed as a case study by Ada Lovelace in her analysis of Menabrea's report on Babbage Analytical Engine. It is probable that it was this Lovelace's work, that inspired Hans Thirring in using the Bernoulli numbers in the calculus of the Debye functions.

Quantum Debye-Hueckel theory and the possible plasma phase transition

International Nuclear Information System (INIS)

Baker, G. Jr.

1998-01-01

In this paper the author first sketches the calculation of the pressure of a neutral, ion-electron gas as an expansion in powers of the electron charge, e, by means of the Matsubara, finite-temperature, many-body, perturbation theory. He then goes on to derive the Debye-Hue term and other equations to support his contentions. His results support but do not prove the existence of a phase transition

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

International Nuclear Information System (INIS)

Aken, P.A. van; Sharp, T.G.; Seifert, F.

1998-01-01

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R∼0.172 nm and N∼5) to R∼0.167 nm and N∼4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of σ N 2 ∼83.8pm 2 as it changes from σ st 2 =51.8pm 2 for sixfold to σ qu 2 =18.4pm 2 for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of

Radiation damage in A-15 materials: EXAFS studies

International Nuclear Information System (INIS)

Knapp, G.S.; Kampwirth, R.T.; Georgopoulos, P.; Brown, B.S.

1980-01-01

EXAFS measurements are useful in determining the local atomic environment of a particular element in a solid. Since there has been some controversy about the nature of the defects produced in A-15 materials by radiation damage, such studies were carried out on some A-15 compounds, V 3 Ga which was damaged by neutrons, as well as Nb 3 Ge damaged by 2.5 MeV a particles. In the V 3 Ga sample, site exchange disorder seems to be the most important result of the neutron damage with less than 20% of the vanadium atoms on wrong sites. However, in the Nb 3 Ge samples in addition to site exchange disorder, an unusual splitting of the first near-neighbor distance between the Ge and Nb is found. This splitting, approximately 0.2 A, may explain the large Debye Waller factors observed by Burbank et al

On the Debye temperature in the Slack approximation for an estimation of the thermal conductivity of nonmetallic compounds

International Nuclear Information System (INIS)

Bruls, R.; Hintzen, H.T.; Metselaar, R.

2005-01-01

The value of the Debye temperature of the acoustic modes, as required in the application of Slack's approximation [G. A. Slack, Solid State Physics, edited by F. Seitz, D. Turnbull, and H. Ehrenreich, (Academic, New York, 1979), Vol. 34, pp. 1-71] for the thermal conductivity, is not always available. It is shown that for these cases, the value at the minimum of the curve of the Debye temperature versus the temperature obtained from specific-heat data, gives a good approximation

Stark shifts and widths of a hydrogen atom in Debye plasmas

International Nuclear Information System (INIS)

Yu, A.C.H.; Ho, Y.K.

2005-01-01

A computational scheme has been developed and used to investigate the influence of the plasma environments on modified atomic autoionization for isolated atoms/ions by using the complex coordinate rotation method which is proved to be a very simple and powerful tool to analyze the position and the width of a resonance. The Debye screening potential is employed to describe the effects of the plasma environments. Stark shifts and widths on the ground state of hydrogen are reported for field strength up to F=0.12 a.u. Slater-type basis wave functions are used to describe the system and angular-momentum states up to L=11 are included when the external electric field is turned on. Converged results are obtained by using different maximum angular-momentum states. The modified autoionization for various Debye lengths ranging from infinite to a small value of 0.86 are reported. It has been observed that for a given temperature and under the influence of a given external electric field, the resonance energy and the autoionization width increase for increasing electron density in the plasma. A discussion on the physical implication of our results is made

Investigations of mechanical properties and Debye temperature of U2Ti

International Nuclear Information System (INIS)

Chattaraj, D.; Dash, Smruti; Kulkarni, S.G.

2012-01-01

U 2 Ti is a potential solid state material for safe storage, supply and recovery of hydrogen isotopes. It is not pyrophoric and its hydride is resistance to powdering upon hydrogenation. These two properties made this alloy advantageous over the conventionally used uranium as tritium getter material. Hence, thorough study of material properties like thermodynamic and elastic properties of U 2 Ti is important. Recently, present authors have reported thermodynamic functions for U 2 Ti. However, elastic moduli of this alloy have not been reported. The second derivatives of the internal energy with respect to strain, gives adiabatic elastic constants. Thus adiabatic elastic constants are related to interatomic potentials of material. They are also related to the thermal properties of a solid through the Debye theory. For metal hydride material, the elastic constants are useful for an evaluation of the elastic contribution to the hydrogen-hydrogen interaction energy and the elastic energy associated with the precipitation of hydride phases. The present paper reports the ultrasonic measurement of the elastic moduli and Debye temperature of U 2 Ti at room temperature using 38 DL plus ultrasonic velocitymeter

Plasticization effect of C60 on the fast dynamics of polystyrene and related polymers: an incoherent neutron scattering study

International Nuclear Information System (INIS)

Sanz, Alejandro; Ruppel, Markus; Cabral, Joao T; Douglas, Jack F

2008-01-01

We utilize inelastic incoherent neutron scattering (INS) to quantify how fullerenes affect the 'fast' molecular dynamics of a family of polystyrene related macromolecules. In particular, we prepared bulk nanocomposites of (hydrogenous and ring-deuterated) polystyrene and poly(4-methyl styrene) using a rapid precipitation method where the C 60 relative mass fraction ranged from 0% to 4%. Elastic window scan measurements, using a high resolution (0.9 μeV) backscattering spectrometer, are reported over a wide temperature range (2-450 K). Apparent Debye-Waller (DW) factors 2 >, characterizing the mean-square amplitude of proton displacements, are determined as a function of temperature, T. We find that the addition of C 60 to these polymers leads to a progressive increase in 2 > relative to the pure polymer value over the entire temperature range investigated, where the effect is larger for larger nanoparticle concentration. This general trend seems to indicate that the C 60 nanoparticles plasticize the fast (∼10 -15 s) local (∼1 A) dynamics of these polymer glasses. Generally, we expect nanoparticle additives to affect polymer dynamics in a similar fashion to thin films in the sense that the high interfacial area may cause both a speeding up and slowing down of the glass state dynamics depending on the polymer-surface interaction

Debye frequency and interplay of superconductivity and antiferromagnetism in high T{sub c} superconductors

Energy Technology Data Exchange (ETDEWEB)

Panigrahy, N N [Siddartha Nagar 2, Berhampur (India); Mahapatra, D [T.T. College, Ganjam (India); Panda, B N [DAV College, Koraput (India); Rout, G C [Govt. Science College, Ganjam (India)

2006-04-15

The interplay between superconductivity (SC) and antiferromagnetism (AFM) is studied in strongly correlated systems: R{sub 2-x}M{sub x}CuO{sub 4} (R = Nd, La, Pr. Gd; M = Sr, Ce) due to electron-phonon interaction, It is assumed that SC arises due to BCS pairing mechanism in presence of AFM in Cu lattices of Cu-O planes, Debye frequency {omega}{sub D} dependence of high temperature SC gap as well as staggered magnetic field at different temperatures are calculated analytically and solved self-consistently with respect to half-filled band situation for different model parameters (temperature parameter {theta} and hybridization parameter {nu}, {lambda}{sub 1} and {lambda}{sub 2} being the SC and AF coupling parameters, respectively). The SC gap and AFM gap are studied in their coexistence phase for different Debye frequencies. (author)

Dynamics of photoionization of hydrogenlike ions in Debye plasmas

International Nuclear Information System (INIS)

Qi, Y. Y.; Wang, J. G.; Janev, R. K.

2009-01-01

Photoionization processes for the ground state and n≤3 excited states of hydrogenlike ions embedded in a weakly coupled plasma are investigated in the entire energy range of a nonrelativistic regime. The plasma screening of the Coulomb interaction between charged particles is described by the Debye-Hueckel model. The energy levels and wave functions for both the bound and continuum states are calculated by solving the Schroedinger equation numerically by the symplectic integrator. The screening of Coulomb interactions reduces the number of bound electron states, decreases their binding energies, broadens the radial distribution of electron wave functions of these states, and changes significantly the phases and the amplitudes of continuum wave functions. These changes strongly affect the dipole matrix elements between the bound and continuum states and, hence, the photoionization cross sections. The most significant effects of the screened Coulomb interactions on the energy behavior of photoionization cross sections are manifested in its low-energy behavior (Wigner threshold law), the appearance of multiple shape and virtual-state resonances when the energy levels of upper bound states enter the continuum after certain critical strength of the screening, and in the (slight) reduction of the cross section at high photon energies. All these features of the photoionization cross section are related to the short-range character of the Debye-Hueckel potential. The effects of the potential screening on the Combet-Farnoux and Cooper minima in the photoionization cross section are also investigated. Comparison of calculated photoionization cross sections with the results of other authors, when available, is made.

Modified Debye screening potential in a magnetized quantum plasma

International Nuclear Information System (INIS)

Salimullah, M.; Hussain, A.; Sara, I.; Murtaza, G.; Shah, H.A.

2009-01-01

The effects of quantum mechanical influence and uniform static magnetic field on the Shukla-Nambu-Salimullah potential in an ultracold homogeneous electron-ion Fermi plasma have been examined in detail. It is noticed that the strong quantum effect arising through the Bohm potential and the ion polarization effect can give rise to a new oscillatory behavior of the screening potential beyond the shielding cloud which could explain a new type of possible robust ordered structure formation in the quantum magnetoplasma. However, the magnetic field enhances the Debye length perpendicular to the magnetic field in the weak quantum limit of the quantum plasma.

Ion collection by a sphere in a flowing plasma: 2. non-zero Debye length

International Nuclear Information System (INIS)

Hutchinson, I H

2003-01-01

The spatial distribution of ion flux to a sphere in a flowing collisionless plasma is calculated using a particle-in-cell code SCEPTIC. The code is validated by comparing with prior stationary-plasma and approximate calculations. Comprehensive results are provided for ion temperatures 1 and 0.1 times the electron temperature, and for Debye length from 0.01 to 100 times the probe size. A remarkable qualitatively new result is obtained: over a range of Debye lengths from roughly 0.1 to 10 times the probe radius at T i = 0.1T e , the downstream side of the probe receives substantially higher flux density than the upstream side when the flow is subsonic. This unexpected reversal of the asymmetry reinforces the need for these fully self-consistent calculations, but renders the use of the flux ratio for Mach-probe purposes problematic, even for deriving the direction of the flow

Status and limitations of multilayer X-ray interference structures

International Nuclear Information System (INIS)

Kortright, J.B.

1996-01-01

Trends in the performance of x-ray multilayer interference structures with periods ranging from 9 to 130 (angstrom) are reviewed. Analysis of near-normal incidence reflectance data vs photon energy reveals that the effective interface with σ in a static Debye-Waller model, describing interdiffusion and roughness, decreases as the multilayer period decreases, and reaches a lower limit of roughly 2 (angstrom). Specular reflectance and diffuse scattering from uncoated and multilayer-coated substrates having different roughness suggest that this lower limit results largely from substrate roughness. The increase in interface width with period thus results from increasing roughness of interdiffusion as the layer thickness increases

H2+ embedded in a Debye plasma: Electronic and vibrational properties

OpenAIRE

Angel, M. L.; Montgomery Jr, H. E.

2010-01-01

The effect of plasma screening on the electronic and vibrational properties of the H2+ molecular ion was analyzed within the Born-Oppenheimer approximation. When a molecule is embedded in a plasma, the plasma screens the electrostatic interactions. This screening is accounted for in the Schr\\"odinger equation by replacing the Coulomb potentials with Yukawa potentials that incorporate the Debye length as a screening parameter. Variational expansions in confocal elliptical coordinates were used...

Suppressed beta relaxations and reduced heat capacity in ultrastable organic glasses prepared by physical vapor deposition

Science.gov (United States)

Ediger, Mark

Glasses play an important role in technology as a result of their macroscopic homogeneity (e.g., the clarity of window glass) and our ability to tune properties through composition changes. A problem with liquid-cooled glasses is that they exhibit marginal kinetic stability and slowly evolve towards lower energy glasses and crystalline states. In contrast, we have shown that physical vapor deposition can prepare glasses with very high kinetic stability. These materials have properties expected for ``million-year-old'' glasses, including high density, low enthalpy, and high mechanical moduli. We have used nanocalorimetry to show that these high stability glasses have lower heat capacities than liquid-cooled glasses for a number of molecular systems. Dielectric relaxation has been used to show that the beta relaxation can be suppressed by nearly a factor of four in vapor-deposited toluene glasses, indicating a very tight packing environment. Consistent with this view, computer simulations of high stability glasses indicate reduced Debye-Waller factors. These high stability materials raise interesting questions about the limiting properties of amorphous packing arrangements.

Atomic vibration amplitudes in fcc and hcp 4He through x-ray diffraction measurements

International Nuclear Information System (INIS)

Venkataraman, C.T.; Simmons, R.O.

2003-01-01

Atomic vibration amplitudes in dense fcc and hcp 4 He crystals have been measured using synchrotron x rays from the dependence of integrated Bragg intensities up to wave vectors of 91 nm -1 . Observed raw Bragg x-ray integrated intensities cover an extraordinary range, greater than 10 5 , due to the combined effect of the Debye-Waller factor and electronic form factor. From analysis of these intensities mean-square atomic vibration amplitudes Q 2 > and Lindemann ratios are determined. Path-integral Monte Carlo (PIMC) computations of Draeger and Ceperley, extrapolated to the thermodynamic limit, provide excellent agreement with these experimental results. For both present measurements and the PIMC results, one finds both a predominantly Gaussian distribution in Q 2 > and an extraordinarily large Lindemann ratio. In contrast, these directly measured x-ray values are significantly larger than published values inferred from Born-von Karman fitting to phonon dispersion measured by neutron scattering. Mildly anharmonic neon, which is fairly well described by self-consistent phonon theories, is contrasted with present results on fcc 4 He at corresponding densities

Exact current to a spherical electrode in a collisionless, large-Debye-length magnetoplasma

International Nuclear Information System (INIS)

Sonmor, L.J.; Laframboise, J.G.

1991-01-01

Exact calculations of the steady-state current drawn from a collisionless, Maxwellian plasma in a uniform magnetic field by a spherical, perfectly absorbing electrode are presented for a range of dimensionless electrode potentials and magnetic-field strengths. These calculations are valid in the limit of large Debye length. The results are compared with the theory of Rubinstein and Laframboise, which gives upper and lower bounds for both the attracted-species and the repelled-species current. It is found that as the electrode potential increases from space potential with magnetic-field strength fixed, the electron (i.e., attracted-species) current decreases, but not as quickly as the adiabatic-limit (effectively lower-bound) current. The ion current also diverges immediately from the adiabatic-limit current. As the electrode potential increases further, the electron current rises and moves monotonically toward the canonical upper bound, which is the warm-plasma generalization of the well-known Parker and Murphy upper bound. It is unclear whether the current approaches the upper bound asymptotically as the electrode potential becomes large, or instead a constant proportion of the upper bound which varies with magnetic-field strength. The dependence on magnetic-field strength is more complicated. As expected for small fixed electrode potentials, the attracted-species current approaches the adiabatic-limit current monotonically as the magnetic-field strength increases. However, for large electrode potentials this pattern reverses: the current approaches the canonical upper bound monotonically as the magnetic-field strength increases. These patterns are expected to persist when the Debye length is finite. Interpretation of these results leads to an inference that for large electrode potentials, the effect of decreasing the Debye length may be to reduce the current, as in the nonmagnetic case

Ab initio theory and calculations of X-ray spectra

International Nuclear Information System (INIS)

Rehr, J.J.; Kas, J.J.; Prange, M.P.; Sorini, A.P.; Takimoto, Y.; Vila, F.

2009-01-01

There has been dramatic progress in recent years both in the calculation and interpretation of various x-ray spectroscopies. However, current theoretical calculations often use a number of simplified models to account for many-body effects, in lieu of first principles calculations. In an effort to overcome these limitations we describe in this article a number of recent advances in theory and in theoretical codes which offer the prospect of parameter free calculations that include the dominant many-body effects. These advances are based on ab initio calculations of the dielectric and vibrational response of a system. Calculations of the dielectric function over a broad spectrum yield system dependent self-energies and mean-free paths, as well as intrinsic losses due to multielectron excitations. Calculations of the dynamical matrix yield vibrational damping in terms of multiple-scattering Debye-Waller factors. Our ab initio methods for determining these many-body effects have led to new, improved, and broadly applicable x-ray and electron spectroscopy codes. (authors)

Extended x-ray absorption fine structure in Ga1-xMnxN/SiC films with high Mn content

Science.gov (United States)

Sancho-Juan, O.; Martínez-Criado, O.; Cantarero, A.; Garro, N.; Salomé, M.; Susini, J.; Olguín, D.; Dhar, S.; Ploog, K.

2011-05-01

In this study, the local atomic structure of highly homogeneous Ga1-xMnxN alloy films (0.03Debye-Waller factor does not show a significant trend as Mn content increases, which suggests the presence of short-range disorder in the GaN lattice. Ab initio calculations of the structural parameter for two different Mn concentrations are consistent with the experimental results.

Analytic Debye-Grüneisen equation of state for a generalized Lennard-Jones solids

Institute of Scientific and Technical Information of China (English)

孙久勋; 吴强; 蔡灵仓; 经福谦

2003-01-01

The approximate method to treat the practical quantum anharmonic solids proposed by Hardy,Lacks and Shukla is reformulated with explicit physical meanings.It is shown that the quantum effect is important at low temperature,it can be treated in the harmonic framework; and the anharmonic effect is important at high temperature and tends to zero at low temperature,it can be treated by using a classical approximation.The alternative formulation is easier for various applications,and is applied to a Debye-Gruneisen solid with the generalized Lennard-Jones intermolecular interaction.The expressions for the Debye temperature and Gruneisen parameter as a function of volume are analytically derived.The analytic equation of state is applied to predict the thermodynamic properties of solid xenon at normal-pressure with the nearest-neighbour Lennard-Jones interaction,and is further applied to research the properties of solid xenon and krypton at high pressure by using an all-neighbour Lennard-Jones interaction.The theoretical results are in agreement with the experiments.

Tunneling effects in electromagnetic wave scattering by nonspherical particles: A comparison of the Debye series and physical-geometric optics approximations

International Nuclear Information System (INIS)

Bi, Lei; Yang, Ping

2016-01-01

The accuracy of the physical-geometric optics (PG-O) approximation is examined for the simulation of electromagnetic scattering by nonspherical dielectric particles. This study seeks a better understanding of the tunneling effect on the phase matrix by employing the invariant imbedding method to rigorously compute the zeroth-order Debye series, from which the tunneling efficiency and the phase matrix corresponding to the diffraction and external reflection are obtained. The tunneling efficiency is shown to be a factor quantifying the relative importance of the tunneling effect over the Fraunhofer diffraction near the forward scattering direction. Due to the tunneling effect, different geometries with the same projected cross section might have different diffraction patterns, which are traditionally assumed to be identical according to the Babinet principle. For particles with a fixed orientation, the PG-O approximation yields the external reflection pattern with reasonable accuracy, but ordinarily fails to predict the locations of peaks and minima in the diffraction pattern. The larger the tunneling efficiency, the worse the PG-O accuracy is at scattering angles less than 90°. If the particles are assumed to be randomly oriented, the PG-O approximation yields the phase matrix close to the rigorous counterpart, primarily due to error cancellations in the orientation-average process. Furthermore, the PG-O approximation based on an electric field volume-integral equation is shown to usually be much more accurate than the Kirchhoff surface integral equation at side-scattering angles, particularly when the modulus of the complex refractive index is close to unity. Finally, tunneling efficiencies are tabulated for representative faceted particles. - Highlights: • Concepts of diffraction, reflection and tunneling are refined. • The diffraction together with reflection is rigorously treated. • An improved invariant imbedding method is employed to compute the Debye

Electron structure of atoms in laser plasma: The Debye shielding model

International Nuclear Information System (INIS)

Sako, Tokuei; Okutsu, Hiroshi; Yamanouchi, Kaoru

2005-01-01

The electronic structure and the energy spectra of multielectron atoms in laser plasmas are examined by the Debye shielding model. The effect of the plasma environment on the electrons bound in an atom is taken into account by introducing the screened Coulomb-type potentials into the electronic Hamiltonian of an atom in place of the standard nuclear attraction and electron repulsion potentials. The capabilities of this new Hamiltonian are demonstrated for He and Li in laser plasmas. (author)

Bound states of hydrogen-like ions in Debye plasma

International Nuclear Information System (INIS)

Li Bowen; Jiang Jun; Kang Weimin; Yang Ningxuan; Dong Chenzhong

2009-01-01

The plasma screening effects on the energy levels and wave functions of hydrogen-like ions were estimated by using Debye model. The effects on n l(n=1-4, l=0-3) energy levels and wave functions of hydrogen and Fe 25+ ion versus screening lengths λ have been analyzed. Furthermore, the screening effects versus quantum number n and l has been analyzed. The results show that the screening effects increasing as n increasing and decreasing as l increasing. Last, the Eigenergies of isoelectronic series change against screening parameter λ has been discussed, it's shown that the plasma screening effects are decreasing as nuclear charge increasing. (authors)

Convergent-close-coupling calculations for excitation and ionization processes of electron-hydrogen collisions in Debye plasmas

International Nuclear Information System (INIS)

Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

2010-01-01

Electron-hydrogen scattering in weakly coupled hot-dense plasmas has been investigated using the convergent-close-coupling method. The Yukawa-type Debye-Hueckel potential has been used to describe the plasma screening effects. The target structure, excitation dynamics, and ionization process change dramatically as the screening is increased. Excitation cross sections for the 1s→2s,2p,3s,3p,3d and 2s→2p,3s,3p,3d transitions and total and total ionization cross sections for the scattering from the 1s and 2s states are presented. Calculations cover the energy range from thresholds to high energies (250 eV) for various Debye lengths. We find that as the screening increases, the excitation and total cross sections decrease, while the total ionization cross sections increase.

Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

Energy Technology Data Exchange (ETDEWEB)

Weber, F.

2007-11-02

the intrinsic phonon linewidth near the order wave vector of the short-range charge and orbital order present above T{sub C}. In an neutron powder diffraction measurement at the Hahn-Meitner Institut in Berlin, we investigated the temperature dependence of the anisotropic Debye-Waller factors of the oxygen atoms in La{sub 0.7}Sr{sub 0.3}MnO{sub 3}. According to the present point of view, the sudden increase of the Debye-Waller factors at T{sub C} should be proportional to the strength of the colossal magnetoresistance effect. However, we found experimental values for La{sub 0.7}Sr{sub 0.3}MnO{sub 3}, which are in close vicinity or even bigger than values of compounds with a much stronger magnetoresistance effect. (orig.)

Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

International Nuclear Information System (INIS)

Weber, F.

2007-01-01

wave vector of the short-range charge and orbital order present above T C . In an neutron powder diffraction measurement at the Hahn-Meitner Institut in Berlin, we investigated the temperature dependence of the anisotropic Debye-Waller factors of the oxygen atoms in La 0.7 Sr 0.3 MnO 3 . According to the present point of view, the sudden increase of the Debye-Waller factors at T C should be proportional to the strength of the colossal magnetoresistance effect. However, we found experimental values for La 0.7 Sr 0.3 MnO 3 , which are in close vicinity or even bigger than values of compounds with a much stronger magnetoresistance effect. (orig.)

Volume dependence of the melting temperature for alkali metals with Debye's model

International Nuclear Information System (INIS)

Soma, T.; Kagaya, H.M.; Nishigaki, M.

1983-01-01

Using the volume dependence of the Grueneisen constant at higher temperatures, the volume effect on the melting temperature of alkali metals is studied by Lindeman's melting law and Debye's model. The obtained melting curve increases as a function of the compressed volume and shows the maximum of the melting point at the characteristic volume. The resultant data are qualitatively in agreement with the observed tendency for alkali metals. (author)

Two-dimensional imaging of Debye-Scherrer ring for tri-axial stress analysis of industrial materials

International Nuclear Information System (INIS)

Sasaki, T; Maruyama, Y; Ohba, H; Ejiri, S

2014-01-01

In this study, an application of the two-dimensional imaging technology to the X ray tri-axial stress analysis was studied. An image plate (IP) was used to obtain a Debye-Scherre ring and the image data was analized for determining stress. A new principle for stress analysis which is suitable to two-dimensional imaging data was used. For the verification of this two-dimensional imaging type X-ray stress measurement method, an experiment was conducted using a ferritic steel sample which was processed with a surface grinder. Tri-axial stress analysis was conducted to evaluate the sample. The conventional method for X-ray tri-axial stress analysis proposed by Dölle and Hauk was used to evaluate residual stress in order to compare with the present method. As a result, it was confirmed that a sufficiently highly precise and high-speed stress measurement was enabled with the two-dimensional imaging technology compared with the conventional method

Modelling the X-ray powder diffraction of nitrogen-expanded austenite using the Debye formula

DEFF Research Database (Denmark)

Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

2008-01-01

Stress-free and homogeneous samples of nitrogen-expanded austenite, a defect-rich f.c.c. structure with a high interstitial nitrogen occupancy (between 0.36 and 0.61), have been studied using X-ray powder diffraction and Debye simulations. The simulations confirm the presence of deformation...... to be indistinguishable to X-ray powder diffraction....

Low-energy electron elastic scattering and impact ionization with hydrogenlike helium in Debye plasmas

Science.gov (United States)

Li, Jun; Zhang, Song Bin; Ye, Bang Jiao; Wang, Jian Guo; Janev, R. K.

2017-09-01

Low-energy electron elastic scattering and impact ionization with hydrogenlike helium in Debye plasmas have been investigated by employing the exterior complex scaling method. The interactions between charged particles in the plasmas have been represented by Debye-Hückel potentials. The 1 s -1 s elastic collision strengths below the n =2 excitation threshold of He+ dominated by resonance structures are calculated for different screening lengths. As the screening strength increases, the resonance peaks studied [2(1,0) 2 +1Se,3Po,1De , and 2(0,1) 2 +1Po] exhibit blueshifts and then redshifts with a further increase of the screening strength, which results in dramatic changes of the collision strengths. It is found that these dynamic variation features of the resonances are related to the changes of energy levels of He+ in the screened potential and geometric configurations of resonances. Triple-differential-ionization cross sections in coplanar geometries at 6-Ry incident electron energy are also reported, significant changes are observed with varying screening length.

Non-Debye heat capacity formula refined and applied to GaP, GaAs, GaSb, InP, InAs, and InSb

Directory of Open Access Journals (Sweden)

R. Pässler

2013-08-01

Full Text Available Characteristic non-Debye behaviors of low-temperature heat capacities of GaP, GaAs, GaSb, InP, InAs, and InSb, which are manifested above all in form of non-monotonic behaviors (local maxima of the respective Cp(T/T3 curves in the cryogenic region, are described by means of a refined version of a recently proposed low-to-high-temperature interpolation formula of non-Debye type. Least-mean-square fittings of representative Cp(T data sets available for these materials from several sources show excellent agreements, from the liquid-helium region up to room temperature. The results of detailed calculations of the respective material-specific Debye temperature curves, ΘD(T, are represented in graphical form. The strong, non-monotonic variations of ΘD(T values confirm that it is impossible to provide reasonable numerical simulations of measured Cp(T dependences in terms of fixed Debye temperatures. We show that it is possible to describe in good approximation the complete Debye temperature curves, from the cryogenic region up to their definitive disappearance (dropping to 0 in the high temperature region, by a couple of unprecedented algebraic formulas. The task of constructing physically adequate prolongations of the low-temperature Cp(T curves up to melting points was strongly impeded by partly rather large differences (up to an order of 10 J/(K·mol between the high-temperature data sets presented in different research papers and/or data reviews. Physically plausible criteria are invoked, which enabled an a priori rejection of a series of obviously unrealistic high-temperature data sets. Residual uncertainties for GaAs and InAs could be overcome by re-evaluations of former enthalpy data on the basis of a novel set of properly specified four-parameter polynomial expressions applying to large regions, from moderately low temperatures up to melting points. Detailed analytical and numerical descriptions are given for the anharmonicity

Debye screening length effects of nanostructured materials

CERN Document Server

Ghatak, Kamakhya Prasad

2014-01-01

This monograph solely investigates the Debye Screening Length (DSL) in semiconductors and their nano-structures. The materials considered are quantized structures of non-linear optical, III-V, II-VI, Ge, Te, Platinum Antimonide, stressed materials, Bismuth, GaP, Gallium Antimonide, II-V and Bismuth Telluride respectively. The DSL in opto-electronic materials and their quantum confined counterparts is studied in the presence of strong light waves and intense electric fields on the basis of newly formulated electron dispersion laws that control the studies of such quantum effect devices. The suggestions for the experimental determination of 2D and 3D DSL and the importance of measurement of band gap in optoelectronic materials under intense built-in electric field in nano devices and strong external photo excitation (for measuring photon induced physical properties) have also been discussed in this context. The influence of crossed electric and quantizing magnetic fields on the DSL and the DSL in heavily doped ...

Ratio of sheath thickness to Debye length for a slightly ionized continuum plasma

International Nuclear Information System (INIS)

Hamilton, J.

1980-01-01

The penetration of plasma sheaths for spherical probes in a slightly ionized continuum plasma has been computed for values of epsilon (the ratio of ion to electron temperature) of 0.01 and 1.0 with rhosub(p) (the ratio of probe radius to plasma Debye length) set at 5.10,20 and 30. Values of the potential drops at the sheath boundaries are presented

Probabilistic Equilibrium Sampling of Protein Structures from SAXS Data and a Coarse Grained Debye Formula

DEFF Research Database (Denmark)

Andreetta, Christian

-likelihood estimators for the form factors employed in the Debye formula, a theoretical forward model for SAXS profiles. The resulting computation compares favorably with the state of the art tool in the field, the program CRYSOL in the suite ATSAS. A faster, parallel implementation on Graphical Processor Units (GPUs......The present work describes the design and the implementation of a protocol for arbitrary precision computation of Small Angle X-ray Scattering (SAXS) profiles, and its inclusion in a probabilistic framework for protein structure determination. This protocol identifies a set of maximum...... of protein structures all fitting the experimental data. For the first time, we describe in full atomic detail a set of different conformations attainable by flexible polypeptides in solution. This method is not limited by assumptions in shape or size of the samples. It allows therefore to investigate...

Detection beyond Debye's length with an electrolyte-gated organic field-effect transistor.

Science.gov (United States)

Palazzo, Gerardo; De Tullio, Donato; Magliulo, Maria; Mallardi, Antonia; Intranuovo, Francesca; Mulla, Mohammad Yusuf; Favia, Pietro; Vikholm-Lundin, Inger; Torsi, Luisa

2015-02-04

Electrolyte-gated organic field-effect transistors are successfully used as biosensors to detect binding events occurring at distances from the transistor electronic channel that are much larger than the Debye length in highly concentrated solutions. The sensing mechanism is mainly capacitive and is due to the formation of Donnan's equilibria within the protein layer, leading to an extra capacitance (CDON) in series to the gating system. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Collisional scattering for binary Coulomb interactions that are cut off at a distance different than the Debye length

International Nuclear Information System (INIS)

Correa, J.R.; Chang Yongbin; Ordonez, C.A.

2005-01-01

Collisional scattering is considered within a system of charged particles experiencing binary Coulomb interactions when the scale length for the range of each interaction is not isotropic and is not necessarily equal to the Debye length. For example, one or more dimensions of the system could be smaller than the Debye length. The effect is assessed by evaluating integrals over the impact cross section. Cutoffs on both the impact parameter and the Coulomb interaction potential are employed, and no assumption is made regarding the value of the Coulomb logarithm. Two expressions are found that have a dependence on the cutoff lengths, with one of the expressions being associated with the Coulomb logarithm. Collisional scattering within an electrostatic ion trap is considered by way of example

Screening model for nanowire surface-charge sensors in liquid

DEFF Research Database (Denmark)

Sørensen, Martin Hedegård; Mortensen, Asger; Brandbyge, Mads

2007-01-01

The conductance change of nanowire field-effect transistors is considered a highly sensitive probe for surface charge. However, Debye screening of relevant physiological liquid environments challenge device performance due to competing screening from the ionic liquid and nanowire charge carriers....

Stopping potential and ion beamlet control for micro-resistive patterning through sub-Debye length plasma apertures

Directory of Open Access Journals (Sweden)

Abhishek Chowdhury

2014-12-01

Full Text Available Focused multiple ion beamlets from a microwave plasma source is investigated for localized micron-scale modification of substrates in a patterned manner. Plasma electrodes (PE with an array of through apertures having aperture diameters of the order of plasma Debye length are investigated for generating the beamlets. Extraction through sub-Debye length apertures becomes possible when the PE is kept at floating potential. It is found that the current – voltage characteristics of the extracted beamlets exhibits interesting features such as a space-charge-limited region that has a different behaviour than the conventional Child-Langmuir’s law and an extraction-voltage-limited region that does not undergo saturation but exhibits a Schottky-like behaviour similar to that of a vacuum diode. A switching technique to control the motion of individual beamlets is developed and the stopping potential determined. The beamlets are thereafter used to create localized micro-resistive patterns. The experimental results are compared with simulations and reasonably good agreement is obtained.

Ionization potential depression and optical spectra in a Debye plasma model

Science.gov (United States)

Lin, Chengliang; Röpke, Gerd; Reinholz, Heidi; Kraeft, Wolf-Dietrich

2017-11-01

We show how optical spectra in dense plasmas are determined by the shift of energy levels as well as the broadening owing to collisions with the plasma particles. In lowest approximation, the interaction with the plasma particles is described by the RPA dielectric function, leading to the Debye shift of the continuum edge. The bound states remain nearly un-shifted, their broadening is calculated in Born approximation. The role of ionization potential depression as well as the Inglis-Teller effect are shown. The model calculations have to be improved going beyond the lowest (RPA) approximation when applying to WDM spectra.

The thermo-elastic instability model of melting of alkali halides in the Debye approximation

Science.gov (United States)

Owens, Frank J.

2018-05-01

The Debye model of lattice vibrations of alkali halides is used to show that there is a temperature below the melting temperature where the vibrational pressure exceeds the electrostatic pressure. The onset temperature of this thermo-elastic instability scales as the melting temperature of NaCl, KCl, and KBr, suggesting its role in the melting of the alkali halides in agreement with a previous more rigorous model.

From single Debye-Hückel chains to polyelectrolyte solutions: Simulation results

Science.gov (United States)

Kremer, Kurt

1996-03-01

This lecture will present results from simulations of single weakly charged flexible chains, where the electrostatic part of the interaction is modeled by a Debye-Hückel potential,( with U. Micka, IFF, Forschungszentrum Jülich, 52425 Jülich, Germany) as well as simulations of polyelectrolyte solutions, where the counterions are explicitly taken into account( with M. J. Stevens, Sandia Nat. Lab., Albuquerque, NM 87185-1111) ( M. J. Stevens, K. Kremer, JCP 103), 1669 (1995). The first set of the simulations is meant to clear a recent contoversy on the dependency of the persistence length LP on the screening length Γ. While the analytic theories give Lp ~ Γ^x with either x=1 or x=2, the simulations find for all experimentally accessible chain lengths a varying exponent, which is significantly smaller than 1. This causes serious doubts on the applicability of this model for weakly charged polyelectrolytes in general. The second part deals with strongly charged flexible polyelectrolytes in salt free solution. These simulations are performed for multichain systems. The full Coulomb interactions of the monomers and counterions are treated explicitly. Experimental measurements of the osmotic pressure and the structure factor are reproduced and extended. The simulations reveal a new picture of the chain structure based on calculations of the structure factor, persistence length, end-to-end distance, etc. Even at very low density, the chains show significant bending. Furthermore, the chains contract significantly before they start to overlap. We also show that counterion condensation dramatically alters the chain structure, even for a good solvent backbone.

Experimental studies of the large Debye length probe theory in a continuum plasma

International Nuclear Information System (INIS)

Kamitsuma, M.; Chen, S.

1977-01-01

The Laplace limit probe theory for continuum plasmas, i.e., probe theory under the condition r/sub p//lambda/sub D/→0, where r/sub p/ is probe radius and lambda/sub D/ is Debye length, has been experimentally studied. The results show that the application limit of this theory is r/sub p//lambda/sub D/=0.44 for a spherical probe and r/sub p//lambda/sub D/=0.23 for a cylindrical probe

Use of Debye's series to determine the optimal edge-effect terms for computing the extinction efficiencies of spheroids.

Science.gov (United States)

Lin, Wushao; Bi, Lei; Liu, Dong; Zhang, Kejun

2017-08-21

The extinction efficiencies of atmospheric particles are essential to determining radiation attenuation and thus are fundamentally related to atmospheric radiative transfer. The extinction efficiencies can also be used to retrieve particle sizes or refractive indices through particle characterization techniques. This study first uses the Debye series to improve the accuracy of high-frequency extinction formulae for spheroids in the context of Complex angular momentum theory by determining an optimal number of edge-effect terms. We show that the optimal edge-effect terms can be accurately obtained by comparing the results from the approximate formula with their counterparts computed from the invariant imbedding Debye series and T-matrix methods. An invariant imbedding T-matrix method is employed for particles with strong absorption, in which case the extinction efficiency is equivalent to two plus the edge-effect efficiency. For weakly absorptive or non-absorptive particles, the T-matrix results contain the interference between the diffraction and higher-order transmitted rays. Therefore, the Debye series was used to compute the edge-effect efficiency by separating the interference from the transmission on the extinction efficiency. We found that the optimal number strongly depends on the refractive index and is relatively insensitive to the particle geometry and size parameter. By building a table of optimal numbers of edge-effect terms, we developed an efficient and accurate extinction simulator that has been fully tested for randomly oriented spheroids with various aspect ratios and a wide range of refractive indices.

Free-Free Transitions in the Presence of Laser Fields and Debye Potential at Very Low Incident Electron Energies

Science.gov (United States)

Bhatia, Anand

2012-01-01

We study the free-free transition in electron-helium ion in the ground state and embedded in a Debye potential in the presence of an external laser field at very low incident electron energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen as monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser field in a nonperturbative manner by choosing Volkov wave function for it. The scattering wave function for the incident electron on the target embedded in a Debye potential is solved numerically by taking into account the effect of electron exchange. We calculate the laser-assisted differential and total cross sections for free-free transition for absorption/emission of a single photon or no photon exchange. The results will be presented at the conference.

Phonon activity and intermediate glassy phase of YVO3

International Nuclear Information System (INIS)

Massa, Nestor E.; Piamonteze, Cinthia; Tolentino, Helio C.N.; Alonso, Jose Antonio; Martinez-Lope, Maria Jesus; Casais, Maria Teresa

2004-01-01

We show that in YVO 3 additional hard phonons gradually become zone center infrared active below ∼210 K, verifying that a lattice phase transition takes place at about that temperature. Their gradual increment in intensity between ∼210 and ∼77 K is associated with a 'glassy' behavior found in the temperature-dependent V K edge pseudoradial distribution. This translates into an increase in the Debye-Waller factors ascribed to the appearance of V local structural disorder below ∼150 K. Conflicts between various ordering mechanisms in YVO 3 bring up similarities of the intermediate phase to known results in dielectric incommensurate systems, suggesting the formation of commensurate domains below 116 K, the onset temperature of G-type antiferromagnetism. We propose that ∼210 and ∼77 K be understood as the temperatures where the commensurate-incommensurate and incommensurate-commensurate 'lock-in' phase transitions take place. We found support for this interpretation in the inverted λ shapes of the measured heat capacity and in the overall temperature dependence of the hard phonons

EXAFS and EPR study of La0.6Sr0.2Ca0.2MnO3 and La0.6Sr0.2Ba0.2MnO3

International Nuclear Information System (INIS)

Yang, D.-K.Dong-Seok; Ulyanov, A.N.; Phan, Manh-Huong; Kim, Ikgyun; Ahn, Byong-Keun; Rhee, Jang Roh; Kim, Jung Sun; Nguyen, Chau; Yu, Seong-Cho

2003-01-01

Extended X-ray absorption fine structure (EXAFS) analysis and electron-paramagnetic resonance (EPR) have been used to examine the local structure and the internal dynamics of La 0.6 Sr 0.2 Ca 0.2 MnO 3 and La 0.6 Sr 0.2 Ba 0.2 MnO 3 lanthanum manganites. The Mn-O bond distance (∼1.94 Angst for both samples) and the Debye-Waller factors (0.36x10 -2 and 0.41x10 -2 Angst 2 for La 0.6 Sr 0.2 Ca 0.2 MnO 3 and for La 0.6 Sr 0.2 Ba 0.2 MnO 3 , respectively) were obtained from the EXAFS analysis. The dependence of the EPR line width on dopant kind (Ca or Ba) showed a decrease of the spin-lattice interaction with an increase of the Curie temperature. For both compositions, the EPR line intensity followed the exponential law I(T)=I 0 exp(E a /k B T), deduced on the basis of the adiabatic polaron hopping model

A low temperature neutron diffraction study of manganese ferrite

International Nuclear Information System (INIS)

Jirak, Z.; Zajicek, J.

1978-01-01

Two specimens of the Mnsub(0.98)Fesub(2.02)Osub(4+0.002) monocrystal differing in the degree of inversion and heat treatment were studied at room temperature and at the liquid helium temperature, respectively. The specimen with the lower inversion degree was heated to 600 degC and subsequently slowly cooled to 340 degC and annealed for 50 hrs; the specimen with the higher inversion degree was quenched from a temperature of 600 degC. In the study, the magnetic moments on sites A and B of the spinel lattice, the degree of inversion, the oxygen parameter and the Debye-Waller factor were investigated. The oxygen parameter was found to be higher at both temperatures for the annealed specimen (with the lower inversion degree), which can be attributed to the inversion degree dependence of the Madelung energy and the mean ion radius on sites A and B. The oxygen parameter did not show significant differences at room and liquid helium temperature. This agrees with the assumption that it is temperature-independent. (J.P.)

Evidence of a splitting of the Mn-O distance and of a large lattice disorder in the charge-ordered phase of LiMn2O4 obtained by EXAFS

International Nuclear Information System (INIS)

Paolone, A.; Castellano, C.; Cantelli, R.; Rousse, G.; Masquelier, C.

2003-01-01

We measured the extended x-ray-absorption fine-structure (EXAFS) spectrum of LiMn 2 O 4 below room temperature in the charge-ordered phase and for comparison at room temperature in the cubic phase. By means of a standard fit procedure we verified that, as reported by neutron-scattering experiments, also at the local level there are two different Mn-O distances below room temperature, which correspond to the surroundings of well-defined Mn 3+ and Mn 4+ ions. This result is different from the ones obtained from previous EXAFS measurements and confirms the physical picture of the phase transition caused by the ordering of charges in contrast to a cooperative Jahn-Teller phenomenon. Moreover a large lattice disorder in the charge-ordered state, which determines a significant static contribution to the EXAFS Debye-Waller factor, has been found. This last result can be considered as the EXAFS spectral mark of charge-order transitions, even in those materials in which there is no clear evidence of the splitting of bond lengths

Low-Voltage High-Performance UV Photodetectors: An Interplay between Grain Boundaries and Debye Length.

Science.gov (United States)

Bo, Renheng; Nasiri, Noushin; Chen, Hongjun; Caputo, Domenico; Fu, Lan; Tricoli, Antonio

2017-01-25

Accurate detection of UV light by wearable low-power devices has many important applications including environmental monitoring, space to space communication, and defense. Here, we report the structural engineering of ultraporous ZnO nanoparticle networks for fabrication of very low-voltage high-performance UV photodetectors. A record high photo- to dark-current ratio of 3.3 × 10 5 and detectivity of 3.2 × 10 12 Jones at an ultralow operation bias of 2 mV and low UV-light intensity of 86 μW·cm -2 are achieved by controlling the interplay between grain boundaries and surface depletion depth of ZnO nanoscale semiconductors. An optimal window of structural properties is determined by varying the particle size of ultraporous nanoparticle networks from 10 to 42 nm. We find that small electron-depleted nanoparticles (≤40 nm) are necessary to minimize the dark-current; however, the rise in photocurrent is tampered with decreasing particle size due to the increasing density of grain boundaries. These findings reveal that nanoparticles with a size close to twice their Debye length are required for high photo- to dark-current ratio and detectivity, while further decreasing their size decreases the photodetector performance.

PDB-NMA of a protein homodimer reproduces distinct experimental motility asymmetry

Science.gov (United States)

Tirion, Monique M.; ben-Avraham, Daniel

2018-03-01

We have extended our analytically derived PDB-NMA formulation, Atomic Torsional Modal Analysis or ATMAN (Tirion and ben-Avraham 2015 Phys. Rev. E 91 032712), to include protein dimers using mixed internal and Cartesian coordinates. A test case on a 1.3 {\\mathringA} resolution model of a small homodimer, ActVA-ORF6, consisting of two 112-residue subunits identically folded in a compact 50 {\\mathringA} sphere, reproduces the distinct experimental Debye-Waller motility asymmetry for the two chains, demonstrating that structure sensitively selects vibrational signatures. The vibrational analysis of this PDB entry, together with biochemical and crystallographic data, demonstrates the cooperative nature of the dimeric interaction of the two subunits and suggests a mechanical model for subunit interconversion during the catalytic cycle.

Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

Science.gov (United States)

Ali, Md. Lokman; Rahaman, Md. Zahidur

2018-04-01

By using first principles calculation dependent on the density functional theory (DFT), we have investigated the mechanical, structural properties and the Debye temperature of Fe2ScM (M=P and As) compounds under various pressures up to 60 GPa. The optical properties have been investigated under zero pressure. Our calculated optimized structural parameters of both the materials are in good agreement with other theoretical predictions. The calculated elastic constants show that Fe2ScM (M=P and As) compounds are mechanically stable under external pressure below 60 GPa. From the elastic constants, the shear modulus G, the bulk modulus B, Young’s modulus E, anisotropy factor A and Poisson’s ratio ν are calculated by using the Voigt-Reuss-Hill approximation. The Debye temperature and average sound velocities are also investigated from the obtained elastic constants. The detailed analysis of all optical functions reveals that both compounds are good dielectric material.

Charge transfer in proton-hydrogen collisions under Debye plasma

Energy Technology Data Exchange (ETDEWEB)

Bhattacharya, Arka [Department of Mathematics, Burdwan University, Golapbag, Burdwan 713 104, West Bengal (India); Kamali, M. Z. M. [Centre for Foundation Studies in Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ghoshal, Arijit, E-mail: arijit98@yahoo.com [Department of Mathematics, Burdwan University, Golapbag, Burdwan 713 104, West Bengal (India); Department of Mathematics, Kazi Nazrul University, B.C.W. Campus, Asansol 713 304, West Bengal (India); Institute of Mathematical Sciences, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ratnavelu, K. [Department of Mathematics, Kazi Nazrul University, B.C.W. Campus, Asansol 713 304, West Bengal (India)

2015-02-15

The effect of plasma environment on the 1s → nlm charge transfer, for arbitrary n, l, and m, in proton-hydrogen collisions has been investigated within the framework of a distorted wave approximation. The effect of external plasma has been incorporated using Debye screening model of the interacting charge particles. Making use of a simple variationally determined hydrogenic wave function, it has been possible to obtain the scattering amplitude in closed form. A detailed study has been made to investigate the effect of external plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range of 20–1000 keV. For the unscreened case, our results are in close agreement with some of the most accurate results available in the literature.

First-principles investigations on structural, elastic, electronic properties and Debye temperature of orthorhombic Ni3Ta under pressure

Science.gov (United States)

Li, Pan; Zhang, Jianxin; Ma, Shiyu; Jin, Huixin; Zhang, Youjian; Zhang, Wenyang

2018-06-01

The structural, elastic, electronic properties and Debye temperature of Ni3Ta under different pressures are investigated using the first-principles method based on density functional theory. Our calculated equilibrium lattice parameters at 0 GPa well agree with the experimental and previous theoretical results. The calculated negative formation enthalpies and elastic constants both indicate that Ni3Ta is stable under different pressures. The bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν are calculated by the Voigt-Reuss-Hill method. The bigger ratio of B/G indicates Ni3Ta is ductile and the pressure can improve the ductility of Ni3Ta. In addition, the results of density of states and the charge density difference show that the stability of Ni3Ta is improved by the increasing pressure. The Debye temperature ΘD calculated from elastic modulus increases along with the pressure.

Introduction to the theory and application of a unified Bohm criterion for arbitrary-ion-temperature collision-free plasmas with finite Debye lengths

Science.gov (United States)

Kos, L.; Jelić, N.; Kuhn, S.; Tskhakaya, D. D.

2018-04-01

At present, identifying and characterizing the common plasma-sheath edge (PSE) in the conventional fluid approach leads to intrinsic oversimplifications, while the kinetic one results in unusable over-generalizations. In addition, none of these approaches can be justified in realistic plasmas, i.e., those which are characterized by non-negligible Debye lengths and a well-defined non-negligible ion temperature. In an attempt to resolve this problem, we propose a new formulation of the Bohm criterion [D. Bohm, The Characteristics of Electrical Discharges in Magnetic Fields (McGraw-Hill, New York, 1949)], which is here expressed in terms of fluid, kinetic, and electrostatic-pressure contributions. This "unified" Bohm criterion consists of a set of two equations for calculating the ion directional energy (i.e., the mean directional velocity) and the plasma potential at the common PSE, and is valid for arbitrary ion-to-electron temperature ratios. It turns out to be exact at any point of the quasi-neutral plasma provided that the ion differential polytropic coefficient function (DPCF) of Kuhn et al. [Phys. Plasmas 13, 013503 (2006)] is employed, with the advantage that the DPCF is an easily measurable fluid quantity. Moreover, our unified Bohm criterion holds in plasmas with finite Debye lengths, for which the famous kinetic criterion formulated by Harrison and Thompson [Proc. Phys. Soc. 74, 145 (1959)] fails. Unlike the kinetic criterion in the case of negligible Debye length, the kinetic contribution to the unified Bohm criterion, arising due to the presence of negative and zero velocities in the ion velocity distribution function, can be calculated separately from the fluid term. This kinetic contribution disappears identically at the PSE, yielding strict equality of the ion directional velocity there and the ion sound speed, provided that the latter is formulated in terms of the present definition of DPCFs. The numerical values of these velocities are found for the

Ab initio study of the electron-phonon coupling at the Cr(001) surface

Science.gov (United States)

Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

2018-04-01

It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

Structure of a Rh/TiO2 catalyst in the strong metal-support interaction state as determined by EXAFS

International Nuclear Information System (INIS)

Koningsberger, D.C.; Martens, J.H.A.; Prins, R.; Short, D.R.; Sayers, D.E.

1986-01-01

Reduction of a highly dispersed 2.85 wt% Rh/TiO 2 catalyst at 473 K after previous calcination at 623 K resulted in EXAFS whose primary contributions are due to nearest rhodium (average coordination number of 3.1 and distance of 2.67 A) and oxygen neighbors (coordination 2.5 and distance 2.71 A). These oxygen neighbors originated at the metal-support interface. The average rhodium-rhodium coordination number did not change in the SMSI state produced by reducing the catalyst at 673 K. However, the average coordination distance contracted by 0.04 A with an accompanying decrease of the Debye-Waller factor of the Rh-Rh bond of 0.0012 A 2 . This is due to the fact that in the SMSI state the surface of the metal particles is not covered with chemisorbed hydrogen. The SMSI state leads to a structural reorganization of the support in the vicinity of the rhodium metal particles. This can be concluded from the appearance of a Rh-Ti bond at 3.42 A in the SMSI state coupled with the fact that the average coordination number of the rhodium-support oxygen bonds does not increase. Other types of rhodium-oxygen bonds could not be detected with EXAFS in this state. Thus, these results provide no evidence for coverage of the metal particle by a suboxide of TiO 2 in the SMSI state

Debye screening and a Thomas - Fermi model of a dyonic atom in a two potential theory of electromagnetism

International Nuclear Information System (INIS)

Wolf, C.

1993-01-01

We study the screening of a central Abelian dyon by a surrounding dyon cloud in a two potential theory of electromagnetism. A generalized formula for the Debye screening length is obtained and a Thomas - Fermi Model for a charged cloud surrounding a central Dyonic Core is studied. 20 refs

1,3Do and 1,3Pe states of two electron atoms under Debye plasma screening

International Nuclear Information System (INIS)

Saha, Jayanta K.; Bhattacharyya, S.; Mukherjee, T.K.; Mukherjee, P.K.

2010-01-01

Extensive non-relativistic variational calculations for estimating the energy values of 2pnd( 1,3 D o ) states [n=3-6] of two electron atoms (He, Li + ,Be 2+ ) and 2pnp( 1 P e )[n=3-8] and 2pnp( 3 P e ) states [n=2-7] of Be 2+ under weakly coupled plasma screening have been performed using explicitly correlated Hylleraas type basis. The modified energy eigenvalues of 1,3 P e states arising from two p electrons of Be 2+ ion and 1,3 D o states due to 2pnd configuration of Li + and Be 2+ ion in the Debye plasma environment are being reported for the first time. The effect of plasma has been incorporated through the Debye screening model. The system tends towards gradual instability and the number of bound states reduces with increasing plasma coupling strength. The wavelengths for 2pn ' p( 1 P e )[n ' =3-8]→2pnd( 1 D o )[n=3-6] and 2pn ' p( 3 P e )[n ' =2-8]→2pnd( 3 D o )[n=3-6] transitions in plasma embedded two electron atoms have also been reported.

Photoionization of Li and Na in Debye plasma environments

International Nuclear Information System (INIS)

Sahoo, Satyabrata; Ho, Y.K.

2006-01-01

A calculation of the photoionization cross sections is presented for alkali-metal atoms such as Li and Na in plasma environments. The computational scheme is based on the complex coordinate rotation method. A model potential formalism has been used to simplify the computational complexity of the problems of making quantitative predictions of properties and interactions of many electron systems in Debye plasmas. The plasma environment is found to appreciably influence the photoionization cross sections. In this regard the photoionization cross sections of isolated atoms are also discussed that is found to be in good agreement with the previous theoretical results. It is observed that the strong plasma screening effect remarkably alters the photoionization cross sections near the ionization threshold. The Cooper minimum in the photoionization cross sections of Na shifts toward the higher energy as the plasma screening effect increases. For Li, the Cooper minimum is uncovered in strong plasma environments. This is the first time such structures have been determined

Quadrupole terms in the Maxwell equations: Debye-Hückel theory in quadrupolarizable solvent and self-salting-out of electrolytes.

Science.gov (United States)

Slavchov, Radomir I

2014-04-28

If the molecules of a given solvent possess significant quadrupolar moment, the macroscopic Maxwell equations must involve the contribution of the density of the quadrupolar moment to the electric displacement field. This modifies the Poisson-Boltzmann equation and all consequences from it. In this work, the structure of the diffuse atmosphere around an ion dissolved in quadrupolarizable medium is analyzed by solving the quadrupolar variant of the Coulomb-Ampere's law of electrostatics. The results are compared to the classical Debye-Hückel theory. The quadrupolar version of the Debye-Hückel potential of a point charge is finite even in r = 0. The ion-quadrupole interaction yields a significant expansion of the diffuse atmosphere of the ion and, thus, it decreases the Debye-Hückel energy. In addition, since the dielectric permittivity of the electrolyte solutions depends strongly on concentration, the Born energy of the dissolved ions alters with concentration, which has a considerable contribution to the activity coefficient γ± known as the self-salting-out effect. The quadrupolarizability of the medium damps strongly the self-salting-out of the electrolyte, and thus it affects additionally γ±. Comparison with experimental data for γ± for various electrolytes allows for the estimation of the quadrupolar length of water: LQ ≈ 2 Å, in good agreement with previous assessments. The effect of quadrupolarizability is especially important in non-aqueous solutions. Data for the activity of NaBr in methanol is used to determine the quadrupolarizability of methanol with good accuracy.

Parametric plasma surface instabilities with p-polarized radiation

International Nuclear Information System (INIS)

Rappaport, H.L.

1994-01-01

The authors argue that parametric plasma surface mode excitation is a viable broadband instability mechanism in the microwave regime since the wavelength of incident radiation can be large compared to plasma ion density gradient scale lengths. The authors restrict their attention to plasmas which are uniform in the planes perpendicular to the density gradients. The boundary region is characterized by three parameters: (1) the ion density gradient length; (2) the electron Debye length; and (3) the excursion of boundary electrons as they move in response to monochromatic p-polarized radiation. A thin vacuum plasma transition layer, in which the ion density gradient scale length is large compared with the Debye length and the electron excursion, is included in the analysis of plasma stability. The recently proposed Lagrangian Frame Two-Plasmon Decay mode (LFTPD) is investigated in the regime in which the instability is not resonantly coupled to surface waves propagating along the boundary region. In this case they have found both spatially dependent growth rate profiles and spatially dependent transit layer magnetic fields due to nonlinear surface currents. LFTPD growth rate profiles are displayed as a function of pump amplitude. The results of a time domain simulation of this mode is also shown

Thermal spectrum of pseudo-scalar glueballs and Debye screening mass from holography

Energy Technology Data Exchange (ETDEWEB)

Braga, Nelson R.F.; Ferreira, Luiz F. [Universidade Federal do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro, RJ (Brazil)

2017-10-15

The finite temperature spectrum of pseudo-scalar glueballs in a plasma is studied using a holographic model. The 0{sup -+} glueball is represented by a pseudo-scalar (axion) field living in a five dimensional geometry that comes from a solution of Einstein equations for gravity coupled with a dilaton scalar field. The spectral function obtained from the model shows a clear peak corresponding to the quasi-particle ground state. Analyzing the variation of the position of the peak with temperature, we describe the thermal behavior of the Debye screening mass of the plasma. As a check of consistency, the zero temperature limit of the model is also investigated. The glueball masses obtained are consistent with previous lattice results. (orig.)

One- and two-photon ionization of hydrogen atom embedded in Debye plasmas

International Nuclear Information System (INIS)

Chang, T. N.; Fang, T. K.; Ho, Y. K.

2013-01-01

We present a detailed analysis of the plasma-induced resonance-like atomic structures near the ionization threshold in one- and two-photon ionization of hydrogen atom. Such resonance-like structures result from the migration of the upper bound excited states of bound-bound atomic transitions into the continuum due to the less attractive screened Coulomb potential which simulates the external environmental effect for an atom embedded in Debye plasma. The change from the resonance-like narrow structures into broad continuous spectra as the plasma effect increases could be accounted for by the overlap between the respective wavefunctions of the atomic electron in the initial state and its corresponding outgoing ionized state in the continuum

First principles and Debye model study of the thermodynamic, electronic and optical properties of MgO under high-temperature and pressure

Science.gov (United States)

Miao, Yurun; Li, Huayang; Wang, Hongjuan; He, Kaihua; Wang, Qingbo

2018-02-01

First principles and quasi-harmonic Debye model have been used to study the thermodynamic properties, enthalpies, electronic and optical properties of MgO up to the core-mantle boundary (CMB) condition (137 GPa and 3700 K). Thermodynamic properties calculation includes thermal expansion coefficient and capacity, which have been studied up to the CMB pressure (137 GPa) and temperature (3700 K) by the Debye model with generalized gradient approximation (GGA) and local-density approximation (LDA). First principles with hybrid functional method (PBE0) has been used to calculate the electronic and optical properties under pressure up to 137 GPa and 0 K. Our results show the Debye model with LDA and first principles with PBE0 can provide accurate thermodynamic properties, enthalpies, electronic and optical properties. Calculated enthalpies show that MgO keep NaCl (B1) structure up to 137 GPa. And MgO is a direct bandgap insulator with a 7.23 eV calculated bandgap. The bandgap increased with increasing pressure, which will induce a blue shift of optical properties. We also calculated the density of states (DOS) and discussed the relation between DOS and band, optical properties. Equations were used to fit the relations between pressure and bandgaps, absorption coefficient (α(ω)) of MgO. The equations can be used to evaluate pressure after careful calibration. Our calculations can not only be used to identify some geological processes, but also offer a reference to the applications of MgO in the future.

Thermal noise due to surface-charge effects within the Debye layer of endogenous structures in dendrites.

Science.gov (United States)

Poznanski, Roman R

2010-02-01

An assumption commonly used in cable theory is revised by taking into account electrical amplification due to intracellular capacitive effects in passive dendritic cables. A generalized cable equation for a cylindrical volume representation of a dendritic segment is derived from Maxwell's equations under assumptions: (i) the electric-field polarization is restricted longitudinally along the cable length; (ii) extracellular isopotentiality; (iii) quasielectrostatic conditions; and (iv) homogeneous medium with constant conductivity and permittivity. The generalized cable equation is identical to Barenblatt's equation arising in the theory of infiltration in fissured strata with a known analytical solution expressed in terms of a definite integral involving a modified Bessel function and the solution to a linear one-dimensional classical cable equation. Its solution is used to determine the impact of thermal noise on voltage attenuation with distance at any particular time. A regular perturbation expansion for the membrane potential about the linear one-dimensional classical cable equation solution is derived in terms of a Green's function in order to describe the dynamics of free charge within the Debye layer of endogenous structures in passive dendritic cables. The asymptotic value of the first perturbative term is explicitly evaluated for small values of time to predict how the slowly fluctuating (in submillisecond range) electric field attributed to intracellular capacitive effects alters the amplitude of the membrane potential. It was found that capacitive effects are almost negligible for cables with electrotonic lengths L>0.5 , contributes up to 10% of the signal for cables with electrotonic lengths in the range between 0.25

Exploration of pH-dependent behavior of the anion receptor pocket of subdomain IIA of HSA: determination of effective pocket charge using the Debye-Hückel limiting law.

Science.gov (United States)

Bolel, Priyanka; Datta, Shubhashis; Mahapatra, Niharendu; Halder, Mintu

2014-01-09

Protein-ligand electrostatic interaction can be looked upon as ion receptor-ligand interaction, and the binding cavity of protein can be either an anion or cation receptor depending on the charge of the guest. Here we focus on the exploration of pH-modulated binding of a number of anionic ligands, specific to the subdomain IIA cavity of HSA, such as carmoisine, tartrazine, cochineal red, and warfarin. The logarithm of the binding constant is found to vary linearly with the square-root of ionic strength, indicating applicability of the Debye-Hückel limiting law to protein-ligand electrostatic binding equilibrium, and concludes that the subdomain IIA cavity is an anion receptor. The present approach is very unique that one can calculate the effective charge of the protein-based anion receptor pocket, and the calculated charge has been found to vary between +1 and +3 depending on the pH and ligand itself. The study also indicates that in such cases of specific ligand binding the pocket charge rather than the overall or surface charge of the macromolecule seems to have a paramount role in determining the strength of interaction. For the first time, it is demonstrated that the Debye-Hückel interionic interaction model can be successfully applied to understand the protein-based receptor-ligand electrostatic interaction in general.

Dependence of Lunar Surface Charging on Solar Wind Plasma Conditions and Solar Irradiation

Science.gov (United States)

Stubbs, T. J.; Farrell, W. M.; Halekas, J. S.; Burchill, J. K.; Collier, M. R.; Zimmerman, M. I.; Vondrak, R. R.; Delory, G. T.; Pfaff, R. F.

2014-01-01

The surface of the Moon is electrically charged by exposure to solar radiation on its dayside, as well as by the continuous flux of charged particles from the various plasma environments that surround it. An electric potential develops between the lunar surface and ambient plasma, which manifests itself in a near-surface plasma sheath with a scale height of order the Debye length. This study investigates surface charging on the lunar dayside and near-terminator regions in the solar wind, for which the dominant current sources are usually from the pohotoemission of electrons, J(sub p), and the collection of plasma electrons J(sub e) and ions J(sub i). These currents are dependent on the following six parameters: plasma concentration n(sub 0), electron temperature T(sub e), ion temperature T(sub i), bulk flow velocity V, photoemission current at normal incidence J(sub P0), and photo electron temperature T(sub p). Using a numerical model, derived from a set of eleven basic assumptions, the influence of these six parameters on surface charging - characterized by the equilibrium surface potential, Debye length, and surface electric field - is investigated as a function of solar zenith angle. Overall, T(sub e) is the most important parameter, especially near the terminator, while J(sub P0) and T(sub p) dominate over most of the dayside.

Debye potentials, electromagnetic reciprocity and impedance boundary conditions for efficient analytic approximation of coupling impedances in complex heterogeneous accelerator pipes

Energy Technology Data Exchange (ETDEWEB)

Petracca, S [Salerno Univ. (Italy)

1996-08-01

Debye potentials, the Lorentz reciprocity theorem, and (extended) Leontovich boundary conditions can be used to obtain simple and accurate analytic estimates of the longitudinal and transverse coupling impedances of (piecewise longitudinally uniform) multi-layered pipes with non simple transverse geometry and/or (spatially inhomogeneous) boundary conditions. (author)

X-ray absorption edges and E.X.A.F.S.: application to the study of electronic and atomic structures of titanium and vanadium carbides TiC(1-x) and VC(1-x)

International Nuclear Information System (INIS)

Moisy-Maurice, Virginie.

1980-09-01

This text presents a systematic study of the X-ray absorption fine structures evolution, at the K edge of titanium, with vacancy concentration in TiC(1-x). The absorption edges are situated in the 50 eV following the coefficient discontinuity: from the evaluation of their general aspect, it is deduced that the positive charge of titanium atoms decreases when vacancy concentration increases in TiC(1-x). This allowed us to determine the best band structure calculation model. The interpretation of EXAFS spectra (modulation of the absorption coefficient until 1500 eV above the edge) gives indications about the local atomic structure. Here, the contraction of the average titanium-carbon interatomic distances compared to the distances between crystallographic sites is of the order of the experimental resolution 0.02 A for Ti C(0.8). The study of the damping of the spectra in terms of Debye-Waller factors gave an evaluation of the relative static atomic mean square displacements between first neighbours. Last, it has been established that the disordering of vacancies in the order-disorder transition of V 8 C 7 is an atomic scale phenomenon [fr

Complete Quantum Control of a Single Silicon-Vacancy Center in a Diamond Nanopillar

Science.gov (United States)

Zhang, Jingyuan Linda; Lagoudakis, Konstantinos G.; Tzeng, Yan-Kai; Dory, Constantin; Radulaski, Marina; Kelaita, Yousif; Shen, Zhi-Xun; Melosh, Nicholas A.; Chu, Steven; Vuckovic, Jelena

Coherent quantum control of a quantum bit (qubit) is an important step towards its use in a quantum network. SiV- center in diamond offers excellent physical qualities such as low inhomogeneous broadening, fast photon emission, and a large Debye-Waller factor, while the fast spin manipulation and techniques to extend the spin coherence time are under active investigation. Here, we demonstrate full coherent control over the state of a single SiV- center in a diamond nanopillar using ultrafast optical pulses. The high quality of the chemical vapor deposition grown SiV- centers allows us to coherently manipulate and quasi-resonantly read out the state of the single SiV- center. Moreover, the SiV- centers being coherently controlled are integrated into diamond nanopillar arrays in a site-controlled, individually addressable manner with high yield, low strain, and high spectral stability, which paves the way for scalable on chip optically accessible quantum system in a quantum photonic network. Financial support is provided by the DOE Office of Basic Energy Sciences, Division of Materials Sciences through Stanford Institute for Materials and Energy Sciences (SIMES) under contract DE-AC02-76SF00515.

Size, shape, and diffusivity of a single Debye-Hückel polyelectrolyte chain in solution

Science.gov (United States)

Soysa, W. Chamath; Dünweg, B.; Prakash, J. Ravi

2015-08-01

Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-Hückel electrostatic interactions between the beads, are used to determine the root-mean-square end-to-end vector, the radius of gyration, and various shape functions (defined in terms of eigenvalues of the radius of gyration tensor) of a weakly charged polyelectrolyte chain in solution, in the limit of low polymer concentration. The long-time diffusivity is calculated from the mean square displacement of the centre of mass of the chain, with hydrodynamic interactions taken into account through the incorporation of the Rotne-Prager-Yamakawa tensor. Simulation results are interpreted in the light of the Odjik, Skolnick, Fixman, Khokhlov, and Khachaturian blob scaling theory (Everaers et al., Eur. Phys. J. E 8, 3 (2002)) which predicts that all solution properties are determined by just two scaling variables—the number of electrostatic blobs X and the reduced Debye screening length, Y. We identify three broad regimes, the ideal chain regime at small values of Y, the blob-pole regime at large values of Y, and the crossover regime at intermediate values of Y, within which the mean size, shape, and diffusivity exhibit characteristic behaviours. In particular, when simulation results are recast in terms of blob scaling variables, universal behaviour independent of the choice of bead-spring chain parameters, and the number of blobs X, is observed in the ideal chain regime and in much of the crossover regime, while the existence of logarithmic corrections to scaling in the blob-pole regime leads to non-universal behaviour.

Formation of Coulomb crystal in presence of attractive overlapping Debye sphere potential

International Nuclear Information System (INIS)

Baruah, Swati; Das, Nilakshi

2011-01-01

The role of attractive overlapping Debye sphere (ODS) potential on dust crystal formation has been investigated by using molecular dynamics code. A comparative study on plasma crystal formation has been made between Yukawa and coupled Yukawa-ODS potential by calculating pair-correlation function, for different values of Coulomb coupling parameter Γ and screening parameter κ. From our study, it is seen that the attractive ODS potential becomes dominant beyond a critical radius than that of the Yukawa potential. This leads to the fact that the effect due to combined Yukawa-ODS potential depends more sensitively on κ. From the comparison of the results for Yukawa and ODS potential with experimental results, it is observed that a close agreement is obtained for attractive ODS potential.

Hopping model for the non-Debye dielectric response in ionic crystals

International Nuclear Information System (INIS)

Wang, J.C.; Bates, J.B.

1988-10-01

A model based on ion hopping in potential double-wells is proposed to explain the non-Debye dielectric response in solids. Relying on some assumptions, an attempt is made to remove the ''average'' nature of previous diffusion theories. This results in a distribution of activation energies, G(E), which decays exponentially on both sides of some given value E/sub o/. It is shown that the existence of a dielectric loss peak is a result of the decay of G(E) for E > E 0 the constant-phase-angle behavior above the loss peak is associated with the decay of G(E) for E 0 , and G(E) can produce all the main features of the empirical Havriliak-Negami function. An interesting property of this G(E) is that it broadens with increasing temperature, consistent with many experimental observations. 18 refs., 3 figs

Elasticity moduli, thermal expansion coefficients and Debye temperature of titanium alloys

International Nuclear Information System (INIS)

Beletskij, V.M.; Glej, V.A.; Maksimyuk, P.A.; Tabachnik, V.I.; Opanasenko, V.F.

1979-01-01

Studied are the characteristics of titanium alloys which reflect best the bonding forces for atoms in a crystal lattice: elastic modules, their temperature dependences, thermal expansion coefficient and Debye temperatures. For the increase of the accuracy of measuring modules and especially their changes with temperature an ultrasonic echo-impulse method of superposition has been used. The temperature dependences of Young modulus of the VT1-0, VT16 and VT22 titanium alloys are plotted. The Young module and its change with temperature depend on the content of alloying elements. The Young module decrease with temperature may be explained within the framework of the inharmonic effect theory. The analysis of the results obtained permits to suppose that alloying of titanium alloys with aluminium results in an interatomic interaction increase that may be one of the reasons of their strength increase

Integral Parameters of the Generalized Frequency Spectra of Moderators

Energy Technology Data Exchange (ETDEWEB)

Purohit, S N

1966-06-15

A study of the integral quantities - M{sub 2} (the second energy transfer moment of the scattering kernel weighted by the Maxwellian distribution), (v{sigma}{sub s}){sub min} (the minimum value of the scattering cross section times velocity) and the moments of frequency spectrum including the effective temperature and Debye-Waller integrals - in terms of the frequency spectrum of the dynamical modes is presented. Numerical results for H{sub 2}O, D{sub 2}O, Be, BeO and C using the available frequency spectra have been obtained. In the estimation of M{sub 2} and (v{sigma}{sub s}){sub min} the first term of the Placzek mass expansion is obtained exactly and the correction by the Doppler approximation method. In addition, the exact results for the Doppler approximation and the gas model have also been given.

Tunneling effects in electromagnetic wave scattering by nonspherical particles: A comparison of the Debye series and physical-geometric optics approximations

Science.gov (United States)

Bi, Lei; Yang, Ping

2016-07-01

The accuracy of the physical-geometric optics (PG-O) approximation is examined for the simulation of electromagnetic scattering by nonspherical dielectric particles. This study seeks a better understanding of the tunneling effect on the phase matrix by employing the invariant imbedding method to rigorously compute the zeroth-order Debye series, from which the tunneling efficiency and the phase matrix corresponding to the diffraction and external reflection are obtained. The tunneling efficiency is shown to be a factor quantifying the relative importance of the tunneling effect over the Fraunhofer diffraction near the forward scattering direction. Due to the tunneling effect, different geometries with the same projected cross section might have different diffraction patterns, which are traditionally assumed to be identical according to the Babinet principle. For particles with a fixed orientation, the PG-O approximation yields the external reflection pattern with reasonable accuracy, but ordinarily fails to predict the locations of peaks and minima in the diffraction pattern. The larger the tunneling efficiency, the worse the PG-O accuracy is at scattering angles less than 90°. If the particles are assumed to be randomly oriented, the PG-O approximation yields the phase matrix close to the rigorous counterpart, primarily due to error cancellations in the orientation-average process. Furthermore, the PG-O approximation based on an electric field volume-integral equation is shown to usually be much more accurate than the Kirchhoff surface integral equation at side-scattering angles, particularly when the modulus of the complex refractive index is close to unity. Finally, tunneling efficiencies are tabulated for representative faceted particles.

Angular Distribution and Linear Polarization of X-ray Radiation Resulting from Electron Impact Excitation of Highly Charged Ions in Debye Plasmas

Science.gov (United States)

Chen, Zhanbin

2018-05-01

Plasma-screening effects on the 1s _{1/2} → 2l (l = s , p ) and 1s _{1/2} → 3d _{3/2} electron-impact excitation of highly charged ions are investigated, together with their subsequent radiative decay. The analysis is performed based on the multi-configuration Dirac-Fock method and the fully relativistic distorted-wave method incorporating the Debye-Hückel potential. To explore the nature of the effects, calculations are carried out based on detailed analyses of the integrated total and magnetic sublevel cross sections, the alignment parameters, the linear polarizations, and the angular distribution of the X-ray photoemission, as well as on corresponding data calculated in various Debye lengths/environments, taking the 2p _{3/2}→ 1s _{1/2} and 3d _{3/2}→ 1s _{1/2} characteristic lines of H-like Fe^{25+} ion as an example. The present results are compared with experimental data and other theoretical predictions where available.

KEhD-1 Debye-Sherrar camera with a coordinate proportional counter

International Nuclear Information System (INIS)

Ageev, O.I.; Glazova, L.P.; Goganov, D.A.; Rejzis, B.M.; Syrkin, M.G.

1985-01-01

An arrangement of the KEhD-1 Debye-Sherrar camera, in which the advantages of a proportional counter are combined with the wide range of simultaneous image recording is described. The camera consists of an X-ray tube unit with the URS-0.1 source, a linear coordinate detector with resistive-capacity coding, a signal transducer and the MK-1 multichannel system for data acquisition and processing based on the ''Uskra-1256'' computer. The counting rate of X-ray pulses is > 5x10 4 s -1 , energy resolution for the CuKsub(α) line constitutes 20%, spatial resolution equals 150 μm, detection efficiency constitutes not less than 64%. The range of the detector displacement varies from -30 deg to +130 deg. The information obtained by means of the camera may be output to a display, a plotter, a numeric printer or a magnetic tape

Vibrational dynamics and band structure of methyl-terminated Ge(111)

Energy Technology Data Exchange (ETDEWEB)

Hund, Zachary M.; Nihill, Kevin J.; Sibener, S. J., E-mail: s-sibener@uchicago.edu [The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57" t" h Street, Chicago, Illinois 60637 (United States); Campi, Davide; Bernasconi, M. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Wong, Keith T.; Lewis, Nathan S. [Division of Chemistry and Chemical Engineering, Beckman Institute and Kavli Nanoscience Institute, California Institute of Technology, 210 Noyes Laboratory, 127-72, Pasadena, California 91125 (United States); Benedek, G. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Donostia International Physics Center (DIPC), Universidad del País Vasco (EHU), 20018 Donostia/San Sebastian (Spain)

2015-09-28

A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD{sub 3}-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH{sub 3}-Ge(111) and CH{sub 3}-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers.

Vibrational dynamics and band structure of methyl-terminated Ge(111)

International Nuclear Information System (INIS)

th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Hund, Zachary M.; th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Nihill, Kevin J.; th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Sibener, S. J.; Campi, Davide; Bernasconi, M.; Wong, Keith T.; Lewis, Nathan S.; Benedek, G.

2015-01-01

A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD 3 -Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH 3 -Ge(111) and CH 3 -Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers

Accounting for Debye sheath expansion for proud Langmuir probes in magnetic confinement fusion plasmas.

Science.gov (United States)

Tsui, C K; Boedo, J A; Stangeby, P C

2018-01-01

A Child-Langmuir law-based method for accounting for Debye sheath expansion while fitting the current-voltage I-V characteristic of proud Langmuir probes (electrodes that extend into the volume of the plasma) is described. For Langmuir probes of a typical size used in tokamak plasmas, these new estimates of electron temperature and ion saturation current density values decreased by up to 60% compared to methods that did not account for sheath expansion. Changes to the collection area are modeled using the Child-Langmuir law and effective expansion perimeter l p , and the model is thus referred to as the "perimeter sheath expansion method." l p is determined solely from electrode geometry, so the method may be employed without prior measurement of the magnitude of the sheath expansion effects for a given Langmuir probe and can be used for electrodes of different geometries. This method correctly predicts the non-saturating ΔI/ΔV slope for cold, low-density plasmas where sheath-expansion effects are strong, as well as for hot plasmas where ΔI/ΔV ∼ 0, though it is shown that the sheath can still significantly affect the collection area in these hot conditions. The perimeter sheath expansion method has several advantages compared to methods where the non-saturating current is fitted: (1) It is more resilient to scatter in the I-V characteristics observed in turbulent plasmas. (2) It is able to separate the contributions to the ΔI/ΔV slope from sheath expansion to that of the high energy electron tail in high Te conditions. (3) It calculates the change in the collection area due to the Debye sheath for conditions where ΔI/ΔV ∼ 0 and for V = V f .

The Debye light scattering equation’s scaling relation reveals the purity of synthetic dendrimers

Energy Technology Data Exchange (ETDEWEB)

Tseng, Hui-Yu; Chen, Hsiao-Ping [National Chung Cheng University, Department of Chemistry and Biochemistry (China); Tang, Yi-Hsuan [Kaohsiung Medical University, Department of Medicinal and Applied Chemistry (China); Chen, Hui-Ting [Kaohsiung Medical University, Department of Fragrance and Cosmetic Science (China); Kao, Chai-Lin, E-mail: clkao@kmu.edu.tw [Kaohsiung Medical University, Department of Medicinal and Applied Chemistry (China); Wang, Shau-Chun, E-mail: chescw@ccu.edu.tw [National Chung Cheng University, Department of Chemistry and Biochemistry (China)

2016-03-15

Spherical dendrimer structures cannot be structurally modeled using conventional polymer models of random coil or rod-like configurations during the calibration of the static light scattering (LS) detectors used to determine the molecular weight (M.W.) of a dendrimer or directly assess the purity of a synthetic compound. In this paper, we used the Debye equation-based scaling relation, which predicts that the static LS intensity per unit concentration is linearly proportional to the M.W. of a synthetic dendrimer in a dilute solution, as a tool to examine the purity of high-generational compounds and to monitor the progress of dendrimer preparations. Without using expensive equipment, such as nuclear magnetic resonance or mass spectrometry, this method only required an affordable flow injection set-up with an LS detector. Solutions of the purified dendrimers, including the poly(amidoamine) (PAMAM) dendrimer and its fourth to seventh generation pyridine derivatives with size range of 5–9 nm, were used to establish the scaling relation with high linearity. The use of artificially impure mixtures of six or seven generations revealed significant deviations from linearity. The raw synthesized products of the pyridine-modified PAMAM dendrimer, which included incompletely reacted dendrimers, were also examined to gauge the reaction progress. As a reaction toward a particular generational derivative of the PAMAM dendrimers proceeded over time, deviations from the linear scaling relation decreased. The difference between the polydispersity index of the incompletely converted products and that of the pure compounds was only about 0.01. The use of the Debye equation-based scaling relation, therefore, is much more useful than the polydispersity index for monitoring conversion processes toward an indicated functionality number in a given preparation.Graphical abstract.

The Debye light scattering equation’s scaling relation reveals the purity of synthetic dendrimers

International Nuclear Information System (INIS)

Tseng, Hui-Yu; Chen, Hsiao-Ping; Tang, Yi-Hsuan; Chen, Hui-Ting; Kao, Chai-Lin; Wang, Shau-Chun

2016-01-01

Spherical dendrimer structures cannot be structurally modeled using conventional polymer models of random coil or rod-like configurations during the calibration of the static light scattering (LS) detectors used to determine the molecular weight (M.W.) of a dendrimer or directly assess the purity of a synthetic compound. In this paper, we used the Debye equation-based scaling relation, which predicts that the static LS intensity per unit concentration is linearly proportional to the M.W. of a synthetic dendrimer in a dilute solution, as a tool to examine the purity of high-generational compounds and to monitor the progress of dendrimer preparations. Without using expensive equipment, such as nuclear magnetic resonance or mass spectrometry, this method only required an affordable flow injection set-up with an LS detector. Solutions of the purified dendrimers, including the poly(amidoamine) (PAMAM) dendrimer and its fourth to seventh generation pyridine derivatives with size range of 5–9 nm, were used to establish the scaling relation with high linearity. The use of artificially impure mixtures of six or seven generations revealed significant deviations from linearity. The raw synthesized products of the pyridine-modified PAMAM dendrimer, which included incompletely reacted dendrimers, were also examined to gauge the reaction progress. As a reaction toward a particular generational derivative of the PAMAM dendrimers proceeded over time, deviations from the linear scaling relation decreased. The difference between the polydispersity index of the incompletely converted products and that of the pure compounds was only about 0.01. The use of the Debye equation-based scaling relation, therefore, is much more useful than the polydispersity index for monitoring conversion processes toward an indicated functionality number in a given preparation.Graphical abstract

Experimental Confirmation of Stable, Small-Debye-Length, Pure-Electron-Plasma Equilibria in a Stellarator

International Nuclear Information System (INIS)

Kremer, J. P.; Pedersen, T. Sunn; Lefrancois, R. G.; Marksteiner, Q.

2006-01-01

The creation of the first small-Debye length, low temperature pure electron plasmas in a stellarator is reported. A confinement time of 20 ms has been measured. The long confinement time implies the existence of macroscopically stable equilibria and that the single particle orbits are well confined despite the lack of quasisymmetry in the device, the Columbia non-neutral torus. This confirms the beneficial confinement effects of strong electric fields and the resulting rapid ExB rotation of the electrons. The particle confinement time is presently limited by the presence of bulk insulating materials in the plasma, rather than any intrinsic plasma transport processes. A nearly flat temperature profile is seen in the inner part of the plasma

Experimental confirmation of stable, small-debye-length, pure-electron-plasma equilibria in a stellarator.

Science.gov (United States)

Kremer, J P; Pedersen, T Sunn; Lefrancois, R G; Marksteiner, Q

2006-09-01

The creation of the first small-Debye length, low temperature pure electron plasmas in a stellarator is reported. A confinement time of 20 ms has been measured. The long confinement time implies the existence of macroscopically stable equilibria and that the single particle orbits are well confined despite the lack of quasisymmetry in the device, the Columbia non-neutral torus. This confirms the beneficial confinement effects of strong electric fields and the resulting rapid E x B rotation of the electrons. The particle confinement time is presently limited by the presence of bulk insulating materials in the plasma, rather than any intrinsic plasma transport processes. A nearly flat temperature profile is seen in the inner part of the plasma.

Surface sensitivity of nuclear-knock-out form factors

International Nuclear Information System (INIS)

Fratamico, G.

1984-01-01

A numerical calculation has been performed to investigate the sensitivity of nuclear-knock-out form factors to nuclear-surface behaviour of bound-state wave functions. The result of our investigation suggests that one can extract the bound-state behaviour at the surface from experimental information on nuclear-knock-out form factors

Disorder in Protein Crystals.

Science.gov (United States)

Clarage, James Braun, II

1990-01-01

Methods have been developed for analyzing the diffuse x-ray scattering in the halos about a crystal's Bragg reflections as a means of determining correlations in atomic displacements in protein crystals. The diffuse intensity distribution for rhombohedral insulin, tetragonal lysozyme, and triclinic lysozyme crystals was best simulated in terms of exponential displacement correlation functions. About 90% of the disorder can be accounted for by internal movements correlated with a decay distance of about 6A; the remaining 10% corresponds to intermolecular movements that decay in a distance the order of size of the protein molecule. The results demonstrate that protein crystals fit into neither the Einstein nor the Debye paradigms for thermally fluctuating crystalline solids. Unlike the Einstein model, there are correlations in the atomic displacements, but these correlations decay more steeply with distance than predicted by the Debye-Waller model for an elastic solid. The observed displacement correlations are liquid -like in the sense that they decay exponentially with the distance between atoms, just as positional correlations in a liquid. This liquid-like disorder is similar to the disorder observed in 2-D crystals of polystyrene latex spheres, and similar systems where repulsive interactions dominate; hence, these colloidal crystals appear to provide a better analogy for the dynamics of protein crystals than perfectly elastic lattices.

Compliance of the Stokes-Einstein model and breakdown of the Stokes-Einstein-Debye model for a urea-based supramolecular polymer of high viscosity.

Science.gov (United States)

Świergiel, Jolanta; Bouteiller, Laurent; Jadżyn, Jan

2014-11-14

Impedance spectroscopy was used for the study of the static and dynamic behavior of the electrical conductivity of a hydrogen-bonded supramolecular polymer of high viscosity. The experimental data are discussed in the frame of the Stokes-Einstein and Stokes-Einstein-Debye models. It was found that the translational movement of the ions is due to normal Brownian diffusion, which was revealed by a fulfillment of Ohm's law by the electric current and a strictly exponential decay of the current after removing the electric stimulus. The dependence of the dc conductivity on the viscosity of the medium fulfills the Stokes-Einstein model quite well. An extension of the model, by including in it the conductivity relaxation time, is proposed in this paper. A breakdown of the Stokes-Einstein-Debye model is revealed by the relations of the dipolar relaxation time to the viscosity and to the dc ionic conductivity. The importance of the C=O···H-N hydrogen bonds in that breakdown is discussed.

Dynamic Factor Models for the Volatility Surface

DEFF Research Database (Denmark)

van der Wel, Michel; Ozturk, Sait R.; Dijk, Dick van

The implied volatility surface is the collection of volatilities implied by option contracts for different strike prices and time-to-maturity. We study factor models to capture the dynamics of this three-dimensional implied volatility surface. Three model types are considered to examine desirable...

Local Structure of Mn in (La1-xHox)2/3Ca1/3MnO3 Studied by X-ray Absorption Fine Structure

International Nuclear Information System (INIS)

Pietnoczka, A.; Bacewicz, R.; Antonowicz, J.; Zalewski, W.; Pekala, M.; Drozd, V.; Fagnard, J.F.; Vanderbemden, P.

2010-01-01

Results of X-ray absorption fine structure measurements in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 with 0.15 3 is doped with a divalent element such as Ca 2+ , substituting for La 3+ , holes are induced in the filled Mn d orbitals. This leads to a strong ferromagnetic coupling between Mn sites. Ca ions in La 1-x Ca x MnO 3 introduce a distortion of the crystal lattice and mixed valence Mn ions (Mn 3+ and Mn 4+ ). On the other hand, in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 the substitution of La for Ho causes a lattice distortion and induces a disorder, which reduces a magnetic interaction. The ferromagnetic transition temperature and conductivity decrease very quickly with increasing x. The magnetic and transport properties of compounds depend on the local atomic structure around Mn ions. The information on the bond lengths and Debye-Waller factor are obtained from the extended X-ray absorption fine structure (EXAFS) data analysis. The charge state of Mn is determined from the position of the absorption edge in X-ray absorption near edge structure (XANES) data. XAFS results are in good agreement with magnetic characteristics of the studied materials. (authors)

Structural and lattice dynamics studies of microcrystals by means of the Moessbauer effect spectroscopy

International Nuclear Information System (INIS)

Pasternak, M.

1978-05-01

Moessbauer studies on 129 I, 57 Fe and 119 Sn were conducted in several disordered and microscopic systems in order to investigate properties of lattice dynamics, chemical bonding and phase transitions. The project included the following studies: (1) Granular crystals of Sn embedded in tin-oxide matrix; the nature of the superconductivity transition of very small grains of tin was investigated. (2) Lattice dynamics and characterization of amorphous tin oxide obtained by condensing atoms of Sn and O 2 gas on a 77 K substrate. The hyperfine interaction and the temperature dependence of the Debye-Waller factor were essential to determine the structure of the amorphous tin oxide. (3) The nature of the chemical bond of the alkaly halides ionic crystals and molecules; molecules of Li, Na, K, Rb and Cs iodides were trapped in agron matrices, and the isomer-shift values were obtained from absorption spectra. (4) Binding of single iron and tin atoms to CH 4 , NH 3 , H 2 and C 6 H 6 molecules, with samples at low temperatures between 2 and 77 K; conclusions were derived regarding the cryochemistry of these systems, as related to fundamental problems of catalysis, chemisorption and ''cracking'' of organic molecules

Study of the diffusion movements of water by quasi-elastic scattering of slow neutrons

International Nuclear Information System (INIS)

Yamazaki, Ione Makiko

1980-01-01

The diffusion movements of water at three different temperatures in the liquid state have been studied by slow neutron quasi-elastic scattering. The measurements have been performed using the IPEN Triple Axis Spectrometer. Broadening and integrated intensity of the quasi-elastic line have been determined for several momentum transfer (K) in the range 0,7627 ≤ K ≤ 2,993 A -1 . The broadening of the quasi-elastic peaks as function of momentum transfer (K) observed at various temperatures has been interpreted in terms of globular diffusion models. The results obtained at 30 deg C have been explained in a consistent way considering the translational and rotational globular diffusion movements. To describe the results obtained at 55 deg and 70 deg C only the translational globular diffusion model was sufficient. This analysis indicates the existence in water of globules with distance of the farest proton position to the center of gravity of the globule 4,5 A, corroborating the idea of quasi-crystalline structure for water. The Debye-Waller factor has been obtained through the analysis of the integrated intensity of quasi-elastic scattering peaks over the K 2 measured range. From this analysis an estimative of the mean square displacement was obtained. (author)

Inelastic scattering in condensed matter with high intensity Mossbauer radiation: Progress report, March 1, 1985-October 31, 1987

International Nuclear Information System (INIS)

Yelon, W.B.; Schupp, G.

1987-10-01

A facility for high intensity Moessbauer scattering has been commissioned at the University of Missouri Research Reactor (MURR) as well as a facility at Purdue University using special isotopes produced at MURR. A number of scattering studies have been successfully carried out, including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS 2 which indicates phason rather than phonon behavior. High precision, fundamental Moessbauer effect studies have also been carried out using scattering to filter unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape. This method allows complete correction for source resonance self-absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. This analysis is important to both the funadmental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct elastic fractions and lineshape parameters. These advances, coupled to our improvements in MIcrofoil Conversion Electron (MICE) spectroscopy, lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support

The large Debye-Scherrer camera installed at SPring-8 BL02B2 for charge density studies

CERN Document Server

Nishibori, E; Kato, K; Sakata, M; Kubota, Y; Aoyagi, S; Kuroiwa, Y; Yamakata, M; Ikeda, N

2001-01-01

The design and performance of a large Debye-Scherrer Camera with imaging plate (IP) as a detector, which was very recently installed at SPring-8, BL02B2, is reported. By taking advantage of high beam quality of SPring-8, the camera enables one a rapid collection of a high counting statistics and high angular resolution powder pattern, which can lead to accurate structure analyses. The camera also provides easy access to structural changes at varied temperatures between 15-1000 K. The camera provides a rapid and accurate powder diffraction system utilizing third generation SR.

Multiscale virtual particle based elastic network model (MVP-ENM) for normal mode analysis of large-sized biomolecules.

Science.gov (United States)

Xia, Kelin

2017-12-20

In this paper, a multiscale virtual particle based elastic network model (MVP-ENM) is proposed for the normal mode analysis of large-sized biomolecules. The multiscale virtual particle (MVP) model is proposed for the discretization of biomolecular density data. With this model, large-sized biomolecular structures can be coarse-grained into virtual particles such that a balance between model accuracy and computational cost can be achieved. An elastic network is constructed by assuming "connections" between virtual particles. The connection is described by a special harmonic potential function, which considers the influence from both the mass distributions and distance relations of the virtual particles. Two independent models, i.e., the multiscale virtual particle based Gaussian network model (MVP-GNM) and the multiscale virtual particle based anisotropic network model (MVP-ANM), are proposed. It has been found that in the Debye-Waller factor (B-factor) prediction, the results from our MVP-GNM with a high resolution are as good as the ones from GNM. Even with low resolutions, our MVP-GNM can still capture the global behavior of the B-factor very well with mismatches predominantly from the regions with large B-factor values. Further, it has been demonstrated that the low-frequency eigenmodes from our MVP-ANM are highly consistent with the ones from ANM even with very low resolutions and a coarse grid. Finally, the great advantage of MVP-ANM model for large-sized biomolecules has been demonstrated by using two poliovirus virus structures. The paper ends with a conclusion.

Picosecond electron probe for direct investigation of lattice temperature and structural phase transition

International Nuclear Information System (INIS)

Mourou, G.; Williamson, S.

1985-01-01

The authors have directly observed the laser-induced melt metamorphosis of thin aluminum films. The time required for the melt to evolve is dependent on the degree to which the Al specimen is superheated. The temperature of this superheated state can also be monitored on the picosecond time scale. The picosecond electron probe not only reveals information about the structure of a material but also about the lattice temperature. The change in lattice parameter that is observed as a shift in diffracted ring diameter is directly related to the thermal expansion coefficient. Also, based on the Debye-Waller effect, a reduction in the intensity of the diffraction rings can be observed due to increased lattice vibration. Presently, a 1-kHz-1-mJ/pulse Nd:YAG laser is being used to measure the temperature overshoot of laser-induced Al films. The high repetition rate permits signal averaging to be employed thereby increasing the sensitivity of the thermometric technique

Influencing factors on the visibility of surface distresses

Science.gov (United States)

Smęt, Wojciech; Skakuj, Marek

2018-05-01

A systematic and future-oriented maintenance management requires quality-assured data regarding the condition of the roadway. An important characteristic for assessing the condition of the road surface are cracks [1]. Experience has proven that the road surface temperature and residual humidity can influence the visibility of cracks. To investigate and quantify these influencing factors in more detail, the Federal Ministry of Transport and Digital Infrastructure has implemented a comprehensive research project [2], during which several measurement campaigns were carried out at different seasons and at different temperatures and humidity degrees of the road surface. The visibility of the cracks was assessed using the German approach ZTV ZEB-StB [3]. After evaluating the cracks, the data was synchronized and the network allocation of the geo-referenced raw data was realized. The relevant condition performance indicators were calculated subsequently. For each evaluation section of 100 meters length, the mean road surface temperature was calculated and, if available, the type and year of construction of the surface course was determined. The evaluated data was visualized to establish correlations between the data and the influencing factors. For the statistical analysis of the results, a total of six comparative scenarios were defined in which the influencing factors of road surface temperature and residual humidity were assessed. This paper documents the results of the research project. In order to obtain a uniform and comparable picture of the condition of the road surface over the years and thus to be able to observe the aging process of the road surface, the measurement campaigns are to be carried out under defined conditions. The research project included proposals for defining and further specifying the measurement conditions.

New configuration factors for curved surfaces

International Nuclear Information System (INIS)

Cabeza-Lainez, Jose M.; Pulido-Arcas, Jesus A.

2013-01-01

Curved surfaces have not been thoroughly considered in radiative transfer analysis mainly due to the difficulties arisen in the integration process and perhaps because of the lack of spatial vision of the researchers. It is a fact, especially for architectural lighting, that when concave geometries appear inside a curved space, they are mostly avoided. In this way, a vast repertoire of significant forms is neglected and energy waste is evident. Starting from the properties of volumes enclosed by the minimum number of surfaces, the authors formulate, with little calculus, new simple laws, which enable them to discover a set of configuration factors for caps and various segments of the sphere. The procedure is subsequently extended to previously unimagined surfaces as the paraboloid, the ellipsoid or the cone. Appropriate combination of the said forms with right truncated cones produces several complex volumes, often used in architectural and engineering creations and whose radiative performance could not be accurately predicted for decades. To complete the research, a new method for determining interreflections in curved volumes is also presented. Radiative transfer simulation benefits from these findings, as the simplicity of the results has led the authors to create innovative software more efficient for design and evaluation and applicable to emerging fields like LED lighting. -- Highlights: ► Friendly revision of fundamentals of radiative transfer. ► New configuration factors for curved surfaces obtained without calculus. ► New method for interreflections in curved geometries. ► Enhanced simulation algorithms. ► Fast comparison of radiative performances of surfaces

Self-Consistent Approach to Global Charge Neutrality in Electrokinetics: A Surface Potential Trap Model

Directory of Open Access Journals (Sweden)

Li Wan

2014-03-01

Full Text Available In this work, we treat the Poisson-Nernst-Planck (PNP equations as the basis for a consistent framework of the electrokinetic effects. The static limit of the PNP equations is shown to be the charge-conserving Poisson-Boltzmann (CCPB equation, with guaranteed charge neutrality within the computational domain. We propose a surface potential trap model that attributes an energy cost to the interfacial charge dissociation. In conjunction with the CCPB, the surface potential trap can cause a surface-specific adsorbed charge layer σ. By defining a chemical potential μ that arises from the charge neutrality constraint, a reformulated CCPB can be reduced to the form of the Poisson-Boltzmann equation, whose prediction of the Debye screening layer profile is in excellent agreement with that of the Poisson-Boltzmann equation when the channel width is much larger than the Debye length. However, important differences emerge when the channel width is small, so the Debye screening layers from the opposite sides of the channel overlap with each other. In particular, the theory automatically yields a variation of σ that is generally known as the “charge regulation” behavior, attendant with predictions of force variation as a function of nanoscale separation between two charged surfaces that are in good agreement with the experiments, with no adjustable or additional parameters. We give a generalized definition of the ζ potential that reflects the strength of the electrokinetic effect; its variations with the concentration of surface-specific and surface-nonspecific salt ions are shown to be in good agreement with the experiments. To delineate the behavior of the electro-osmotic (EO effect, the coupled PNP and Navier-Stokes equations are solved numerically under an applied electric field tangential to the fluid-solid interface. The EO effect is shown to exhibit an intrinsic time dependence that is noninertial in its origin. Under a step-function applied

Thermal expansion behaviors of Li{sub 3}AsW{sub 7}O{sub 25}. A case study for comparative Debye temperature for a large polyatomic unit cell

Energy Technology Data Exchange (ETDEWEB)

Mangir Murshed, M.; Gesing, Thorsten M. [Solid State Chemical Crystallography, Institute of Inorganic Chemistry and Crystallography, University of Bremen (Germany); MAPEX Center for Materials and Processes, University of Bremen (Germany); Zhao, Pei [Solid State Chemical Crystallography, Institute of Inorganic Chemistry and Crystallography, University of Bremen (Germany); Huq, Ashfia [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)

2018-03-01

The thermal expansion behavior of Li{sub 3}AsW{sub 7}O{sub 25} has been studied. The temperature-dependent development of crystal structural parameters was obtained from Rietveld refinement using neutron time of flight powder diffraction data. Modeling of the lattice thermal expansion was carried out using a Grueneisen first-order approximation for the zero-pressure equation of state, where the temperature-dependent vibrational energy was calculated taking the Debye-Einstein-Anharmonicity approach. Temperature-dependent Raman spectra shed light on some selective modes with unusual anharmonicity. Debye temperatures were calculated using three different theoretical approaches, namely, thermal expansion, mean-squared isotropic atomic displacement parameter and heat capacity. Similarities as well as discrepancies between the numerical values obtained from different theoretical approaches are discussed. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm.

Science.gov (United States)

Zhang, Qing; Beard, Daniel A; Schlick, Tamar

2003-12-01

Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK

Drift wave turbulence studies on closed and open flux surfaces: effect limiter/divertor plates location

International Nuclear Information System (INIS)

Ribeiro, T.; Scott, B.

2007-01-01

The field line connection of a tokamak sheared magnetic field has an important impact on turbulence, by ensuring a finite parallel dynamical response for every degree of freedom available in the system. This constitutes the main property which distinguishes closed from open flux surfaces in such a device. In the latter case, the poloidal periodicity of the magnetic field is replaced by a Debye sheath arising where the field lines strike the limiter/divertor plates. This is enough to break the field line connection constraint and allow the existence of convective cell modes, leading to a change in the character of the turbulence from drift wave- (closed flux surfaces) to interchange-type (open flux surfaces), and hence increasing the turbulent transport observed. Here we study the effect of changing the poloidal position of the limiter/divertor plates, using the three-dimensional electromagnetic gyrofluid turbulence code GEM, which has time dependently self consistent field aligned flux tube coordinates. For the closed flux surfaces, the globally consistent periodic boundary conditions are invoked, and for open flux surfaces a standard Debye sheath is used at the striking points. In particular, the use of two limiter positions simultaneously, top and bottom, is in order, such to allow a separation between the inboard and outboard sides of the tokamak. This highlights the differences between those two regions of the tokamak, where the curvature is either favourable (former) or unfavourable (latter), and further makes room for future experimental qualitative comparisons, for instance, on double null configurations of the tokamak ASDEX Upgrade. (author)

Investigation of ultrafast lattice heating in thin (semi-)metal films using time-resolved electron diffraction; Untersuchung der schnellen Gitteraufheizung in duennen (Halb-)Metallfilmen mit Hilfe zeitaufgeloester Elektronenbeugung

Energy Technology Data Exchange (ETDEWEB)

Ligges, Manuel

2009-07-21

In the framework of the present thesis the fast lattice heating in thin metal and bismuth layers after optical short-pulse excitation was studied. By irradiation of ultrathin solid films with ultrashort (femtosecond) laser pulses for sort times an extreme nonequilibrium state occurs: The electronic system is strongly excited, while the lattice system remains cold. An energetic exchange between both systems follows, which is based on the electron-phonon interaction and leads to heating of the lattice system. This lattice heating can be observed by means of the Debye-Waller effect in the electron diffraction image. By means of the excitation-interrogation scheme by a series of moment records this lattice heating can be observed time-resolvedly. The experimentally determind time scales for this process permit conclusions on the electron-phonon coupling in the studied materials. In this thesis a time-resolving transmissi9on-electron diffraction experiment with sub-picosecond time resolution was constructed and optimized. By means of this experiment the fast lattice heating in thin gold, silver, copper, and bismuth films was studied. The observed heating behaviour of the metal films shows agreement with theoretical predictions of different model calculations. The results of the measurements on bismuth films show a hitherto not observed coupling behaviour. [German] Im Rahmen der vorliegenden Arbeit wurde die schnelle Gitteraufheizung in duennen Metall- und Wismutschichten nach optischer Kurzimpulsanregung untersucht. Durch Bestrahlung duenner Festkoerperfilme mit ultrakurzen (Femtosekunden-) Laserimpulsen entsteht fuer kurze Zeiten ein extremer Nichtgleichgewichtszustand: Das elektronische System wird stark angeregt, waehrend das Gittersystem kalt bleibt. Es folgt ein energetischer Austausch zwischen beiden Systemen, der auf der Elektron-Phonon-Wechselwirkung beruht und zur Aufheizung des Gittersystems fuehrt. Diese Gitteraufheizung kann anhand des Debye-Waller

Electron density distribution in ferromagnetic nickel: A γ -ray diffraction study

Science.gov (United States)

Jauch, W.; Reehuis, M.

2008-12-01

High-accuracy single-crystal structure factors, complete up to sinθ/λ=1.9Å-1 , have been measured from ferromagnetic nickel at 295 K using 316.5-keV gamma radiation. The experimental uncertainty of the structure factors is of the order of 10 millielectrons per atom for all data. A detailed description of the electron density distribution is presented in terms of a multipolar atomic deformation model. Achievement of a reliable Debye-Waller factor is of vital importance in this context. The charge asphericity is due to an excess eg orbital occupancy of 43.4(2)%. The 3d shell in the metal is contracted by 2.07(5)% relative to the free atom. The results are discussed and compared with earlier experimental and theoretical works. In contrast to bcc Cr and Fe, solid-state effects are less pronounced in fcc Ni. Clear disentanglement between the 3d and 4s valence electrons could be accomplished for the first time. The general expectation that the number of 3d electrons in the metal should be increased as compared to the atom was confirmed in the case of iron by combining spin and charge-density data. In the case of nickel, it is rejected as revealed by the γ -ray data alone. Only with the d8 configuration, consistency is achieved between observed and refined mosaic widths of the sample crystal. A 3d8 configuration implies that the majority-spin d band cannot be full. Strong support is lent to a localized atomic character of the valence electrons.

Modeling Human Body Using Four-Pole Debye Model in Piecewise Linear Recursive Convolution FDTD Method for the SAR Calculation in the Case of Vehicular Antenna

Directory of Open Access Journals (Sweden)

Ammar Guellab

2018-01-01

Full Text Available We propose an efficient finite difference time domain (FDTD method based on the piecewise linear recursive convolution (PLRC technique to evaluate the human body exposure to electromagnetic (EM radiation. The source of radiation considered in this study is a high-power antenna, mounted on a military vehicle, covering a broad band of frequency (100 MHz–3 GHz. The simulation is carried out using a nonhomogeneous human body model which takes into consideration most of the internal body tissues. The human tissues are modeled by a four-pole Debye model which is derived from experimental data by using particle swarm optimization (PSO. The human exposure to EM radiation is evaluated by computing the local and whole-body average specific absorption rate (SAR for each occupant. The higher in-tissue electric field intensity points are localized, and the SAR values are compared with the crew safety standard recommendations. The accuracy of the proposed PLRC-FDTD approach and the matching of the Debye model with the experimental data are verified in this study.

Structure analysis of Pd(1 1 0) surface by computer simulation of NAACO's

International Nuclear Information System (INIS)

Takeuchi, Wataru; Yamamura, Yasunori

2001-01-01

The relaxation at a Pd(1 1 0) surface has been estimated using the computer simulation of 165 deg. neutral impact-collision ion scattering spectroscopy (NICISS). The computer simulations employing ACOCT program code treated three-dimensionally the atomic collisions and based on the binary collision approximation (BCA) were performed for the case of 2.08 keV Ne + ions incident along the [1 1-bar 2] azimuth of the Pd(1 1 0) surface. The experimental results of Speller et al. (Surf. Sci. 383 (1997) 131) are well reproduced by the ACOCT simulations including the inward relaxation of 14% of the first interlayer spacing and including the vertical component of surface Debye temperature of 125 K

On gel electrophoresis of dielectric charged particles with hydrophobic surface: A combined theoretical and numerical study.

Science.gov (United States)

Majee, Partha Sarathi; Bhattacharyya, Somnath; Gopmandal, Partha Pratim; Ohshima, Hiroyuki

2018-03-01

A theoretical study on the gel electrophoresis of a charged particle incorporating the effects of dielectric polarization and surface hydrophobicity at the particle-liquid interface is made. A simplified model based on the weak applied field and low charge density assumption is also presented and compared with the full numerical model for a nonpolarizable particle to elucidate the nonlinear effects such as double layer polarization and relaxation as well as surface conduction. The main motivation of this study is to analyze the electrophoresis of the surface functionalized nanoparticle with tunable hydrophobicity or charged fluid drop in gel medium by considering the electrokinetic effects and hydrodynamic interactions between the particle and the gel medium. An effective medium approach, in which the transport in the electrolyte-saturated hydrogel medium is governed by the Brinkman equation, is adopted in the present analysis. The governing electrokinetic equations based on the conservation principles are solved numerically. The Navier-slip boundary condition along with the continuity condition of dielectric displacement are imposed on the surface of the hydrophobic polarizable particle. The impact of the slip length on the electrophoresis is profound for a thinner Debye layer, however, surface conduction effect also becomes significant for a hydrophobic particle. Impact of hydrophobicity and relaxation effects are higher for a larger particle. Dielectric polarization creates a reduction in its electrophoretic propulsion and has negligible impact at the thinner Debye length as well as lower gel screening length. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of dielectric inhomogeneity on electrostatic twist rigidity of a helical biomolecule in Debye-Hückel regime

Science.gov (United States)

Rezaie-Dereshgi, Amir; Mohammad-Rafiee, Farshid

2018-04-01

The electrostatic interactions play a crucial role in biological systems. Here we consider an impermeable dielectric molecule in the solvent with a different dielectric constant. The electrostatic free energy in the problem is studied in the Debye-Hückel regime using the analytical Green function that is calculated in the paper. Using this electrostatic free energy, we study the electrostatic contribution to the twist rigidity of a double stranded helical molecule such as a DNA and an actin filament. The dependence of the electrostatic twist rigidity of the molecule to the dielectric inhomogeneity, structural parameters, and the salt concentration is studied. It is shown that, depending on the parameters, the electrostatic twist rigidity could be positive or negative.

Molecular physics. Production of trilobite Rydberg molecule dimers with kilo-Debye permanent electric dipole moments.

Science.gov (United States)

Booth, D; Rittenhouse, S T; Yang, J; Sadeghpour, H R; Shaffer, J P

2015-04-03

Permanent electric dipole moments are important for understanding symmetry breaking in molecular physics, control of chemical reactions, and realization of strongly correlated many-body quantum systems. However, large molecular permanent electric dipole moments are challenging to realize experimentally. We report the observation of ultralong-range Rydberg molecules with bond lengths of ~100 nanometers and kilo-Debye permanent electric dipole moments that form when an ultracold ground-state cesium (Cs) atom becomes bound within the electronic cloud of an extended Cs electronic orbit. The electronic character of this hybrid class of "trilobite" molecules is dominated by degenerate Rydberg manifolds, making them difficult to produce by conventional photoassociation. We used detailed coupled-channel calculations to reproduce their properties quantitatively. Our findings may lead to progress in ultracold chemistry and strongly correlated many-body physics. Copyright © 2015, American Association for the Advancement of Science.

Bond length variation in Zn substituted NiO studied from extended X-ray absorption fine structure

Science.gov (United States)

Singh, S. D.; Poswal, A. K.; Kamal, C.; Rajput, Parasmani; Chakrabarti, Aparna; Jha, S. N.; Ganguli, Tapas

2017-06-01

Bond length behavior for Zn substituted NiO is determined through extended x-ray absorption fine structure (EXAFS) measurements performed at ambient conditions. We report bond length value of 2.11±0.01 Å for Zn-O of rock salt (RS) symmetry, when Zn is doped in RS NiO. Bond length for Zn substituted NiO RS ternary solid solutions shows relaxed behavior for Zn-O bond, while it shows un-relaxed behavior for Ni-O bond. These observations are further supported by first-principles calculations. It is also inferred that Zn sublattice remains nearly unchanged with increase in lattice parameter. On the other hand, Ni sublattice dilates for Zn compositions up to 20% to accommodate increase in the lattice parameter. However, for Zn compositions more than 20%, it does not further dilate. It has been attributed to the large disorder that is incorporated in the system at and beyond 20% of Zn incorporation in the cubic RS lattice of ternary solid solutions. For these large percentages of Zn incorporation, the Ni and the Zn atoms re-arrange themselves microscopically about the same nominal bond length rather than systematically increase in magnitude to minimize the energy of the system. This results in an increase in the Debye-Waller factor with increase in the Zn concentration rather than a systematic increase in the bond lengths.

Experimental analysis on removal factor of smear method in measurement of surface contamination

International Nuclear Information System (INIS)

Sugiura, Nobuyuki; Taira, Junichi; Takenaka, Keisuke; Yamanaka, Kazuo; Sugai, Kenji; Kosako, Toshiso

2007-01-01

The smear test is one of the important ways to measure surface contamination. The loose contamination under the high background radiation, which is more significant in handling non-sealed radioisotopes, can be evaluated by this method. The removal factor is defined as the ratio of the activity removed from the surface by one smear to the whole activity of the removable surface contamination. The removal factor is greatly changed by the quality and condition of surface materials. In this study, the values of removal factor at several typical surface conditions were evaluated experimentally and the practical application of those values was considered. It is required the smear should be pressed by moderate pressure when wiping the surface. The pressure from 1.0 kg to 1.5 kg per filter paper was recommended. The removal factor showed lower value in wiping by the pressure below 1.0 kg. The value of 0.5 for the removal factor could be applied to the smooth surface of linoleum, concrete coated with paint or epoxy resin, stainless steel and glass with the statistical allowance. (author)

A dedicated torsion balance to detect neutrinos by coherent scattering on high Debye temperature monocrystals

Energy Technology Data Exchange (ETDEWEB)

Cruceru, I; Nicolescu, G [National Institute of Research and Development for Physics and Nuclear Engineering ' Horia - Hulubei' , PO Box MG - 6, 077125 Magurele (Romania); Duliu, O G [University of Bucharest, Department of Atomic and Nuclear Physics, PO Box MG-II, 077125 Magurele (Romania)

2008-11-01

Coherent scattering of neutrinos on high Debye temperature monocrystals represent an alternative to detect solar as well as other high flux neutrino sources such as nuclear reactors or nuclear tests. Therefore, the possibility of detecting neutrinos by using sapphire monocrystals is presented and analyzed. Preliminary evaluations showed that 1 MeV neutrinos with a fluency density of 10{sup 12} cm{sup -1} s{sup -1} could interact with a 100 g sapphire monocrystal with a force of about 10{sup -6} dyne, value measurable with a high sensitivity torsion balance. For this reason a torsion balance provided with 1 m length molybdenum or tungsten wire and an optical autocollimator able to measure small rotation angles of about 0.1 seconds of arc was designed, constructed and now is under preliminary tests. Both theoretical and practical implications of such kind of detector are presented and discussed.

Gamma-Ray Bursts and Relativistic Shells: The Surface Filling Factor

International Nuclear Information System (INIS)

Fenimore, E.E.; Cooper, C.; Ramirez-Ruiz, E.; Sumner, M.C.; Yoshida, A.; Namiki, M.

1999-01-01

The variability observed in many complex gamma-ray bursts (GRBs) is inconsistent with causally connected variations in a single, symmetric, relativistic shell interacting with the ambient material (open-quotes external shocksclose quotes). Rather, either the central site must produce ∼10 50 ergs s -1 for hundreds of seconds (open-quotes internal shocksclose quotes), or the local spherical symmetry of the shell must be broken on an angular scale much smaller than Γ -1 , where Γ is the bulk Lorentz factor for the shell. The observed variability in the external shock models arises from the number of causally connected regions that (randomly) become active. We define the surface filling factor to be the ratio of the area of causally connected regions that become active to the observable area of the shell. From the observed variability in 52 BATSE bursts, we estimate the surface filling factor to be typically ∼5x10 -3 , although some values are near unity. We find that the surface filling factor, f, is ∼0.1ΔT/T in both the constant Γ phase (which probably produces the GRB) and the decelerating phase (which probably produces the X-ray afterglows). Here, ΔT is a typical timescale of variability, and T is the time since the initial signal. We analyze the 2 hr flare seen by ASCA 36 hr after the GRB and conclude that the surface filling factor must be small (10 -3 ) in the X-ray afterglow phase as well. Compared with the energy required for an isotropic shell, E iso , explanations for a low surface filling factor can either require more energy (f -1 E iso ∼10 56 ergs) or less energy [(ΔT/4T) 2 E iso ∼10 49 ergs]. Thus, the low filling factor cannot be used as a strong argument that GRBs must be internal shocks. copyright copyright 1999. The American Astronomical Society

Experimental and theoretical study of rotationally inelastic diffraction of H2(D2) from methyl-terminated Si(111)

International Nuclear Information System (INIS)

Nihill, Kevin J.; Hund, Zachary M.; Sibener, S. J.; Muzas, Alberto; Cueto, Marcos del; Díaz, Cristina; Frankcombe, Terry; Plymale, Noah T.; Lewis, Nathan S.; Martín, Fernando

2016-01-01

Fundamental details concerning the interaction between H 2 and CH 3 –Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H 2 and D 2 from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H 2 compared to the strong RID features observed for D 2 over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuation of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH 3 –Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H 2 and D 2 have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H 2 (D 2 ) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H 2 (D 2 )/CH 3 −Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H 2 with a hybrid organic-semiconductor interface, which can be used to further investigate energy flow in technologically relevant systems.

Direct observation of ultrafast atomic motion using time-resolved X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Shymanovich, U.

2007-11-13

This thesis is dedicated to the study of the atomic motion in laser irradiated solids on a picosecond to subpicosecond time-scale using the time-resolved X-ray diffraction technique. In the second chapter, the laser system, the laser-plasma based X-ray source and the experimental setup for optical pump / X-ray probe measurements were presented. Chapter 3 is devoted to the characterization and comparison of different types of X-ray optics. Chapter 4 presented the time-resolved X-ray diffraction experiments performed for this thesis. The first two sections of this chapter discuss the measurements of initially unexpected strain-induced transient changes of the integrated reflectivity of the X-ray probe beam. The elimination of the strain-induced transient changes of the integrated reflectivity represented an important prerequisite to perform the study of lattice heating in Germanium after femtosecond optical excitation by measuring the transient Debye-Waller effect. The third section describes the investigations of acoustic waves upon ultrafast optical excitation and discusses the two different pressure contributions driving them: the thermal and the electronic ones. (orig.)

Direct observation of ultrafast atomic motion using time-resolved X-ray diffraction

International Nuclear Information System (INIS)

Shymanovich, U.

2007-01-01

This thesis is dedicated to the study of the atomic motion in laser irradiated solids on a picosecond to subpicosecond time-scale using the time-resolved X-ray diffraction technique. In the second chapter, the laser system, the laser-plasma based X-ray source and the experimental setup for optical pump / X-ray probe measurements were presented. Chapter 3 is devoted to the characterization and comparison of different types of X-ray optics. Chapter 4 presented the time-resolved X-ray diffraction experiments performed for this thesis. The first two sections of this chapter discuss the measurements of initially unexpected strain-induced transient changes of the integrated reflectivity of the X-ray probe beam. The elimination of the strain-induced transient changes of the integrated reflectivity represented an important prerequisite to perform the study of lattice heating in Germanium after femtosecond optical excitation by measuring the transient Debye-Waller effect. The third section describes the investigations of acoustic waves upon ultrafast optical excitation and discusses the two different pressure contributions driving them: the thermal and the electronic ones. (orig.)

Finite difference method calculations of X-ray absorption fine structure for copper

Energy Technology Data Exchange (ETDEWEB)

Bourke, J.D. [School of Physics, University of Melbourne, Parkville, Vic 3010 (Australia); Chantler, C.T. [School of Physics, University of Melbourne, Parkville, Vic 3010 (Australia)]. E-mail: chantler@physics.unimelb.edu.au; Witte, C. [School of Physics, University of Melbourne, Parkville, Vic 3010 (Australia)

2007-01-15

The finite difference method is extended to calculate X-ray absorption fine structure (XAFS) for solid state copper. These extensions include the incorporation of a Monte Carlo frozen phonon technique to simulate the effect of thermal vibrations under a correlated Debye-Waller model, and the inclusion of broadening effects from inelastic processes. Spectra are obtained over an energy range in excess of 300 eV above the K absorption edge-more than twice the greatest energy range previously reported for a solid state calculation using this method. We find this method is highly sensitive to values of the photoelectron inelastic mean free path, allowing us to probe the accuracy of current models of this parameter, particularly at low energies. We therefore find that experimental data for the photoelectron inelastic mean free path can be obtained by this method. Our results compare favourably with high precision measurements of the X-ray mass attenuation coefficient for copper, reaching agreement to within 3%, and improving previous results using the finite difference method by an order of magnitude.

100KE/KW fuel storage basin surface volumetric factors

International Nuclear Information System (INIS)

Conn, K.R.

1996-01-01

This Supporting Document presents calculations of surface Volumetric factors for the 100KE and 100KW Fuel Storage Basins. These factors relate water level changes to basin loss or additions of water, or the equivalent water displacement volumes of objects added to or removed from the basin

Effects of geometric modulation and surface potential heterogeneity on electrokinetic flow and solute transport in a microchannel

Science.gov (United States)

Bera, Subrata; Bhattacharyya, S.

2018-04-01

A numerical investigation is performed on the electroosmotic flow (EOF) in a surface-modulated microchannel to induce enhanced solute mixing. The channel wall is modulated by placing surface-mounted obstacles of trigonometric shape along which the surface potential is considered to be different from the surface potential of the homogeneous part of the wall. The characteristics of the electrokinetic flow are governed by the Laplace equation for the distribution of external electric potential; the Poisson equation for the distribution of induced electric potential; the Nernst-Planck equations for the distribution of ions; and the Navier-Stokes equations for fluid flow simultaneously. These nonlinear coupled set of governing equations are solved numerically by a control volume method over the staggered system. The influence of the geometric modulation of the surface, surface potential heterogeneity and the bulk ionic concentration on the EOF is analyzed. Vortical flow develops near a surface modulation, and it becomes stronger when the surface potential of the modulated region is in opposite sign to the surface potential of the homogeneous part of the channel walls. Vortical flow also depends on the Debye length when the Debye length is in the order of the channel height. Pressure drop along the channel length is higher for a ribbed wall channel compared to the grooved wall case. The pressure drop decreases with the increase in the amplitude for a grooved channel, but increases for a ribbed channel. The mixing index is quantified through the standard deviation of the solute distribution. Our results show that mixing index is higher for the ribbed channel compared to the grooved channel with heterogeneous surface potential. The increase in potential heterogeneity in the modulated region also increases the mixing index in both grooved and ribbed channels. However, the mixing performance, which is the ratio of the mixing index to pressure drop, reduces with the rise in

EXAFS characterization of supported metal catalysts in chemically dynamic environments

International Nuclear Information System (INIS)

Robota, H.J.

1991-01-01

Characterization of catalysts focuses on the identification of an active site responsible for accelerating desirable chemical reactions. The identification, characterization, and selective modification of such sites is fundamental to the development of structure-function relationships. Unfortunately, this goal is far from realized in nearly all catalysts, and particularly in catalysts comprised of small supported metal particles. X-ray absorption spectroscopy (XAS) has had a dramatic effect on our understanding of supported metal particles in their resting state. However, the performance of a catalyst can not be assessed from such simple resting state measurements. Among the factors which influence catalyst performance are the exact catalyst composition, including the support and any modifiers; particle size; catalyst finishing and pretreatment conditions; pressure, composition, and temperature of the operating environment; time. Gaining an understanding of how the structure of a catalytic site can change with such an array of variables requires that we begin to develop measurement methods which are effective under chemically dynamic conditions. Ideally, it should be possible to obtain a full X-ray absorption spectrum of each element thought to have a causal relationship with observed catalyst properties. From these spectra, we can optimally extract only a relatively limited amount of information which we must then piece together with information derived from other characterization methods and intuition to arrive at a hypothetical structure of the operating catalyst. Information about crystallinity, homogeneity, and general disorder can be obtained from the Debye-Waller factor. Finally, through analogy with known compounds, the electronic structure of the active atoms can be inferred from near edge absorption features

Granulopoietic Growth Factor Secretion in Ovarian Carcinoma as a Mechanism for the Emergence of Immune Suppressive Myeloid Subsets

Science.gov (United States)

2014-08-01

on “Biotherapy of Cancer: From Disease to Targeted Treatment” in Munich, Germany . Talk entitled, “Combinatorial Vaccine Strategies Employing...Bardhan, K., Paschall, A. V., Yang, D., Waller, J. L., Park, M. A., Nayak-Kapoor, A., Samuel, T. A., Abrams, S. I., and Liu, K. Deregulation of apoptotic

X-ray determination of crystallite size and effect of lattice strain on ...

Indian Academy of Sciences (India)

X-ray diffraction; lattice strain; crystallite size; Debye–Waller factor; vacancy formation energy. 1. Introduction ... In the present investigation, results of a system- atic study of .... that while milling is enough to create strains, it affects the particle ...

Immobilization of epidermal growth factor on titanium and stainless steel surfaces via dopamine treatment

Energy Technology Data Exchange (ETDEWEB)

Kang, Jeonghwa [Nano Medical Engineering Laboratory, RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama, 351-0198 (Japan); Department of Biological Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Tokyo, 192-0397 Japan (Japan); Sakuragi, Makoto; Shibata, Aya; Abe, Hiroshi; Kitajima, Takashi; Tada, Seiichi [Nano Medical Engineering Laboratory, RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama, 351-0198 (Japan); Mizutani, Masayoshi; Ohmori, Hitoshi [Material Fabrication Laboratory, RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama, 351-0198 (Japan); Ayame, Hirohito [Diagnostic Biochip Laboratory, RIKEN Center for Intellectual Property Strategies, 2-1 Hirosawa, Wako, Saitama, 351-0198 (Japan); Son, Tae Il [Bioscience and Biotechnology, Chung-Ang University, 40-1 San, Nae-Ri, Daeduck-myun, Ansung-si, Kyungki-do, 456-756 (Korea, Republic of); Aigaki, Toshiro [Department of Biological Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Tokyo, 192-0397 Japan (Japan); Ito, Yoshihiro, E-mail: y-ito@riken.jp [Nano Medical Engineering Laboratory, RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama, 351-0198 (Japan); Department of Biological Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Tokyo, 192-0397 Japan (Japan); Diagnostic Biochip Laboratory, RIKEN Center for Intellectual Property Strategies, 2-1 Hirosawa, Wako, Saitama, 351-0198 (Japan)

2012-12-01

Titanium and stainless steel were modified with dopamine for the immobilization of biomolecules, epidermal growth factor (EGF). First, the treatment of metal surfaces with a dopamine solution under different pH conditions was investigated. At higher pH, the dopamine solution turned brown and formed precipitates. Treatment of the metals with dopamine at pH 8.5 also resulted in the development of brown color at the surface of the metals. The hydrophobicity of the surfaces increased after treatment with dopamine, independently of pH. X-ray photoelectron spectroscopy revealed the formation of a significant amount of an organic layer on both surfaces at pH 8.5. According to ellipsometry measurements, the organic layer formed at pH 8.5 was about 1000 times as thick as that formed at pH 4.5. The amount of amino groups in the layer formed at pH 8.5 was also higher than that observed in the layer formed at pH 4.5. EGF molecules were immobilized onto the dopamine-treated surfaces via a coupling reaction using carbodiimide. A greater amount of EGF was immobilized on surfaces treated at pH 8.5 compared with pH 4.5. Significantly higher growth of rat fibroblast cells was observed on the two EGF-immobilized surfaces compared with non-immobilized surfaces in the presence of EGF. The present study demonstrated that metals can become bioactive via the surface immobilization of a growth factor and that the effect of the immobilized growth factor on metals was greater than that of soluble growth factor. - Highlights: Black-Right-Pointing-Pointer Epidermal growth factor was covalently immobilized on titan or stainless steel surfaces. Black-Right-Pointing-Pointer Amino groups were formed on the surfaces by the treatment and the growth factor was immobilized through amide bonds. Black-Right-Pointing-Pointer The immobilized epidermal growth factor accelerated cell proliferation more than soluble ones on the surfaces.

Factors Affecting Optimal Surface Roughness of AISI 4140 Steel in Turning Operation Using Taguchi Experiment

Science.gov (United States)

Novareza, O.; Sulistiyarini, D. H.; Wiradmoko, R.

2018-02-01

This paper presents the result of using Taguchi method in turning process of medium carbon steel of AISI 4140. The primary concern is to find the optimal surface roughness after turning process. The taguchi method is used to get a combination of factors and factor levels in order to get the optimum surface roughness level. Four important factors with three levels were used in experiment based on Taguchi method. A number of 27 experiments were carried out during the research and analysed using analysis of variance (ANOVA) method. The result of surface finish was determined in Ra type surface roughness. The depth of cut was found to be the most important factors for reducing the surface roughness of AISI 4140 steel. On the contrary, the other important factors i.e. spindle speed and rake side angle of the tool were proven to be less factors that affecting the surface finish. It is interesting to see the effect of coolant composition that gained the second important factors to reduce the roughness. It may need further research to explain this result.

Synchronous scattering and diffraction from gold nanotextured surfaces with structure factors

Science.gov (United States)

Gu, Min-Jhong; Lee, Ming-Tsang; Huang, Chien-Hsun; Wu, Chi-Chun; Chen, Yu-Bin

2018-05-01

Synchronous scattering and diffraction were demonstrated using reflectance from gold nanotextured surfaces at oblique (θi = 15° and 60°) incidence of wavelength λ = 405 nm. Two samples of unique auto-correlation functions were cost-effectively fabricated. Multiple structure factors of their profiles were confirmed with Fourier expansions. Bi-directional reflectance function (BRDF) from these samples provided experimental proofs. On the other hand, standard deviation of height and unique auto-correlation function of each sample were used to generate surfaces numerically. Comparing their BRDF with those of totally random rough surfaces further suggested that structure factors in profile could reduce specular reflection more than totally random roughness.

Applications of factor analysis to electron and ion beam surface techniques

International Nuclear Information System (INIS)

Solomon, J.S.

1987-01-01

Factor analysis, a mathematical technique for extracting chemical information from matrices of data, is used to enhance Auger electron spectroscopy (AES), core level electron energy loss spectroscopy (EELS), ion scattering spectroscopy (ISS), and secondary ion mass spectroscopy (SIMS) in studies of interfaces, thin films, and surfaces. Several examples of factor analysis enhancement of chemical bonding variations in thin films and at interfaces studied with AES and SIMS are presented. Factor analysis is also shown to be of great benefit in quantifying electron and ion beam doses required to induce surface damage. Finally, examples are presented of the use of factor analysis to reconstruct elemental profiles when peaks of interest overlap each other during the course of depth profile analysis. (author)

ac electrokinetic micropumps: The effect of geometrical confinement, Faradaic current injection, and nonlinear surface capacitance

DEFF Research Database (Denmark)

Olesen, Laurits Højgaard; Bruus, Henrik; Ajdari, A.

2006-01-01

therefore extend the latter theories to account for three experimentally relevant effects: (i) vertical confinement of the pumping channel, (ii) Faradaic currents from electrochemical reactions at the electrodes, and (iii) nonlinear surface capacitance of the Debye layer. We report here that these effects......Recent experiments have demonstrated that ac electrokinetic micropumps permit integrable, local, and fast pumping (velocities similar to mm/s) with low driving voltage of a few volts only. However, they also displayed many quantitative and qualitative discrepancies with existing theories. We...

Stress intensity factor analyses of surface cracks in three-dimensional structures

International Nuclear Information System (INIS)

Miyazaki, Noriyuki; Shibata, Katsuyuki; Watanabe, Takayuki; Tagata, Kazunori.

1983-11-01

The stress intensity factor analyses of surface cracks in various three-dimensional structures were performed using the finite element computer program EPAS-J1. The results obtained by EPAS-J1 were compared with other finite element solutions or results obtained by the simplified estimation methods. Among the simplified estimation methods, the equations proposed by Newman and Raju give the distributions of the stress intensity factor along a crack front, which were compared with the result obtained by EPAS-J1. It was confirmed by comparing the results that EPAS-J1 gives reasonable stress intensity factors of surface cracks in three-dimensional structures. (author)

Paracrystalline structure of activated carbons

Science.gov (United States)

Szczygielska, A.; Burian, A.; Dore, J. C.

2001-06-01

Structural studies by means of neutron diffraction of activated carbons, prepared from a polymer of phenol formaldehyde resin by carbonization and activation processes, with variable porosity, are presented. The neutron scattering data were recorded over the range of the scattering vector Q from 2.5 to 500 nm-1. The structure of activated carbons has been described in terms of disordered graphite-like layers with very weak interlayer correlations. The model has been generated by computer simulations and its validity has been tested by comparison of the experimental and calculated intensity functions. Modelling studies have shown that the model containing 3-4 layers each about 2 nm in diameter accounts for the experimental data and that graphite layers are randomly translated and rotated, according to the turbostratic structure. Near-neighbour carbon-carbon distances of about 0.139 nm and 0.154 nm have been determined. The Debye-Waller factor exp (-Q2σ2/2) with σ = σ0(r)1/2 suggests a paracrystalline structure within a single layer. The value of the interlayer spacing of 0.36 nm has been found from paracrystalline simulations of the layer arrangement in the c-axis direction. The high quality of the experimental data has enabled determination of the coordination numbers, the interatomic distances and their standard deviations using a curve-fitting procedure over the Q-range from 250 nm to 500 nm, providing structural information about short- and intermediate-range ordering.

Field-Assisted Splitting of Pure Water Based on Deep-Sub-Debye-Length Nanogap Electrochemical Cells.

Science.gov (United States)

Wang, Yifei; Narayanan, S R; Wu, Wei

2017-08-22

Owing to the low conductivity of pure water, using an electrolyte is common for achieving efficient water electrolysis. In this paper, we have fundamentally broken through this common sense by using deep-sub-Debye-length nanogap electrochemical cells to achieve efficient electrolysis of pure water (without any added electrolyte) at room temperature. A field-assisted effect resulted from overlapped electrical double layers can greatly enhance water molecules ionization and mass transport, leading to electron-transfer limited reactions. We have named this process "virtual breakdown mechanism" (which is completely different from traditional mechanisms) that couples the two half-reactions together, greatly reducing the energy losses arising from ion transport. This fundamental discovery has been theoretically discussed in this paper and experimentally demonstrated in a group of electrochemical cells with nanogaps between two electrodes down to 37 nm. On the basis of our nanogap electrochemical cells, the electrolysis current density from pure water can be significantly larger than that from 1 mol/L sodium hydroxide solution, indicating the much better performance of pure water splitting as a potential for on-demand clean hydrogen production.

Application of maximum entropy method for the study of electron ...

Indian Academy of Sciences (India)

in terms of the computing power of the machine on which it runs. Since the electron ... Table 1. The Debye–Waller factors of individual atoms and the reliability indices of three sulphides. .... The size of the electron cloud indicates the size of the ...

The glycoprotein Ib-IX-V complex contributes to tissue factor-independent thrombin generation by recombinant factor VIIa on the activated platelet surface

NARCIS (Netherlands)

Weeterings, Cees; de Groot, Philip G.; Adelmeijer, Jelle; Lisman, Ton

2008-01-01

Several lines of evidence suggest that recombinant factor VIIa (rFVIIa) is able to activate factor X on an activated platelet, in a tissue factor-independent manner. We hypothesized that, besides the anionic surface, a receptor on the activated platelet surface is involved in this process. Here, we

Characterization of (1 1 1) surface tailored Pt nanoparticles by electrochemistry and X-ray powder diffraction

International Nuclear Information System (INIS)

Beyerlein, K.R.; Solla-Gullon, J.; Herrero, E.; Garnier, E.; Pailloux, F.; Leoni, M.; Scardi, P.; Snyder, R.L.; Aldaz, A.; Feliu, J.M.

2010-01-01

Platinum nanoparticles with a mean size of 8.7 nm were synthesized by a salt reduction reaction having polyhedron shapes with preferential (1 1 1) surfaces. In situ electrochemical characterization of nanoparticles was performed which confirmed the existence of mostly (1 1 1) surface sites in the sample. The effect of this surface in the electrooxidation of CO was measured. Debye Function Analysis (DFA) and Whole Powder Pattern Modelling (WPPM) of the measured X-ray diffraction pattern were carried out to obtain statistical information on the particle size and shape present in the sample. Both analyses determined that the octahedron particle shape was the most abundant which was also consistent with TEM observations. The existence of a small percentage of single twinned particles was determined by DFA, WPPM, as well as analysis of HRTEM images.

Calculation of Operations Efficiency Factors for Mars Surface Missions

Science.gov (United States)

Layback, Sharon L.

2014-01-01

For planning of Mars surface missions, to be operated on a sol-by-sol basis by a team on Earth (where a "sol" is a Martian day), activities are described in terms of "sol types" that are strung together to build a surface mission scenario. Some sol types require ground decisions based on a previous sol's results to feed into the activity planning ("ground in the loop"), while others do not. Due to the differences in duration between Earth days and Mars sols, for a given Mars local solar time, the corresponding Earth time "walks" relative to the corresponding times on the prior sol/day. In particular, even if a communication window has a fixed Mars local solar time, the Earth time for that window will be approximately 40 minutes later each succeeding day. Further complexity is added for non-Mars synchronous communication relay assets, and when there are multiple control centers in different Earth time zones. The solution is the development of "ops efficiency factors" that reflect the efficiency of a given operations configuration (how many and location of control centers, types of communication windows, synchronous or non-synchronous nature of relay assets, sol types, more-or-less sustainable operations schedule choices) against a theoretical "optimal" operations configuration for the mission being studied. These factors are then incorporated into scenario models in order to determine the surface duration (and therefore minimum spacecraft surface lifetime) required to fulfill scenario objectives. The resulting model is used to perform "what-if" analyses for variations in scenario objectives. The ops efficiency factor is the ratio of the figure of merit for a given operations factor to the figure of merit for the theoretical optimal configuration. The current implementation is a pair of models in Excel. The first represents a ground operations schedule for 500 sols in each operations configuration for the mission being studied (500 sols was chosen as being a long

Measurement for Surface Tension of Aqueous Inorganic Salt

Directory of Open Access Journals (Sweden)

Jiming Wen

2018-03-01

Full Text Available Bubble columns are effective means of filtration in filtered containment venting systems. Here, the surface tension has a significant influence on bubble size distribution and bubble deformation, which have a strong impact on the behavior of the bubble column. The influence of aqueous inorganic compounds on the surface tension depends on the electrolytic activity, Debye length, entropy of ion hydration, and surface deficiencies or excess. In this work, the surface tensions of same specific aqueous solutions have been measured by different methods including platinum plate method, platinum ring method, and maximum bubble pressure method. The measured surface tensions of both sodium hydroxide and sodium thiosulfate are less than that of water. As solution temperature ranges from 20 to 75°C, the surface tension of 0.5 mol/L sodium hydroxide solution decreases from 71 to 55 mN/m while that of 1 mol/L solution decreases from 60 to 45 mN/m. Similarly during the same temperature range, the surface tension of 0.5 mol/L sodium thiosulfate decreases from 70 to 38 mN/m, and that of 1 mol/L sodium thiosulfate is between 68 and 36 mN/m. The analysis for the influence mechanism of aqueous inorganic on surface tension is provided. In addition, experimental results show that the surface tension of solid aerosol suspension liquid has no obvious difference from that of distilled water.

Development of new Z-factors for the evaluation of the circumferential surface crack in nuclear pipes

International Nuclear Information System (INIS)

Choi, Y.H.; Chung, Y.K.; Park, Y.W.; Lee, J.B.

1997-01-01

The purpose of this study is to develop new Z-factors to evaluate the behavior of a circumferential surface crack in nuclear pipe. Z-factor is a load multiplier used in the Z-factor method, which is one of the ASME Code Sec. XI's recommendations for the estimation of a surface crack in nuclear pipe. It has been reported that the load carrying capacities predicted from the current ASME Code Z-factors, are not well in agreement with the experimental results for nuclear pipes with a surface crack. In this study, new Z-factors for ferritic base metal, ferritic submerged arc welding (SAW) weld metal, austenitic base metal, and austenitic SAW weld metal are obtained by use of the surface crack for thin pipe (SC.TNP) method based on GE/EPRI method. The desirability of both the SC.TNP method and the new Z-factors is examined using the results from 48 pipe fracture experiments for nuclear pipes with a circumferential surface crack. The results show that the SC.TNP method is good for describing the circumferential surface crack behavior and the new Z-factors are well in agreement with the measured Z-factors for both ferritic and austenitic pipes. (orig.)

Determining eyeball surface area directly exposed to the effects of external factors.

Science.gov (United States)

Juliszewski, Tadeusz; Kadłuczka, Filip; Kiełbasa, Paweł

2016-01-01

This article discusses determining the surface area of eyeballs of men and women exposed to the direct effects of external factors in the working environment. For one eye, the mean surface is 172-182 mm(2). The determined surface area can be used in formulas for calculating the exposure of eyeballs to harmful chemical substances in workplace air.

Asymptotic behavior of the Schrödinger-Debye system with refractive index of quadratic wave amplitude

Science.gov (United States)

Corcho, Adán J.; Cordero, Juan C.

2018-02-01

We obtain local well-posedness for the one-dimensional Schrödinger-Debye interactions in nonlinear optics in the spaces L^2× L^p, 1≤p 0} in H^1× H^1 associated to an initial data family {(u_{τ _0},v_{τ _0})}_{τ >0} uniformly bounded in H^1× L^2 , where τ is a small response time parameter. We prove that ( u_{τ }, v_{τ }) converges to ( u, -|u|^2) in the space L^{∞}_{[0, T]}L^2_x× L^1_{[0, T]}L^2_x whenever u_{τ _0} converges to u_0 in H^1 as long as τ tends to 0, where u is the solution of the one-dimensional cubic nonlinear Schrödinger equation with the initial data u_0 . The convergence of v_{τ } for -|u|^2 in the space L^{∞}_{[0, T]}L^2_x is shown under compatibility conditions of the initial data. For non-compatible data, we prove convergence except for a corrector term which looks like an initial layer phenomenon.

X-ray stress measurement of ferritic steel using fourier analysis of Debye-Scherrer ring

International Nuclear Information System (INIS)

Fujimoto, Yohei; Sasaki, Toshihiko; Miyazaki, Toshiyuki

2015-01-01

In this study, X-ray stress measurements of ferritic steel based on Fourier analysis are conducted. Taira et al. developed the cosα method for X-ray stress measurements using a two-dimensional X-ray detector. Miyazaki et al. reported that the cosα method can be described more concisely by developing the Fourier series (the Fourier analysis method). The Fourier analysis method is expected to yield the stress measurement with an imperfect Debye-Scherrer ring and there is a possibility that the materials evaluation is different compared with the conventional method, that is, the sin 2 ψ method. In the Fourier analysis method, the strain measured by X-rays is developed as a Fourier series, and all the plane-stress components can be calculated from the Fourier series. In this study, the normal stress calculation was confirmed. In addition, the Fourier-analysis and cosα methods were used for X-ray stress measurements during a four-point bending test on a S45C test piece, and the effectiveness of the Fourier analysis method was confirmed. It was found that the experimental results from the Fourier analysis and cosα methods were nearly identical. In addition, the measurement accuracies of both the methods were equivalent. (author)

Calculated dose factors for the radiosensitive tissues in bone irradiated by surface-deposited radionuclides

International Nuclear Information System (INIS)

Spiers, F.W.; Whitwell, J.R.; Beddoe, A.H.

1978-01-01

The method of calculating dose factors for the haemopoietic marrow and endosteal tissues in human trabecular bone, used by Whitwell and Spiers for volume-seeking radionuclides, has been developed for the case of radionuclides which are deposited as very thin layers on bone surfaces. The Monte Carlo method is again used, but modifications to the computer program are made to allow for a surface rather than a volume source of particle emission. The principal change is the introduction of a surface-orientation factor which is shown to have a value of approximately 2, varying slightly with bone structure. Results are given for β-emitting radionuclides ranging from 171 Tm(anti Esub(β) = 0.025 MeV) to 90 Y(anti Esub(β) = 0.93 MeV), and also for the α-emitter 239 Pu. It is shown that where the particle ranges are short compared with the dimensions of the bone structures the dose factors for the surface seekers are much greater than those for the volume seekers. For long range particles the dose factors for surface- and volume-seeking radionuclides converge. Comparisons are given relating the dose factors calculated in this paper on the basis of measured bone structures to those of other workers based on single plane geometry. (author)

Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

International Nuclear Information System (INIS)

Mereghetti, Paolo; Martinez, Michael; Wade, Rebecca C

2014-01-01

Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulate solutions of bovine serum albumin and of hen egg white lysozyme. We found that the inclusion of the long-range electrostatic correction increased the accuracy of both the protein-protein interaction profiles and the protein diffusion coefficients at low ionic strength. An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials

Analysis of stress intensity factors for surface cracks in pre/post penetration

International Nuclear Information System (INIS)

Miyoshi, Toshiro; Yoshida, Yuichiro

1988-01-01

It is important to evaluate the penetration of surface cracks in a Leak-Before-Break analysis. Because the stress intensity factors for surface cracks in pre/post penetration had not yet been analyzed, the authors carried three-dimensional boundary element analyses in order to obtain them. First, the authors developed the technique of nodal breakdown appropriate for cracks with short ligament length in a two-dimensional boundary element analysis. Next, analyses of stress intensity factor for surface cracks in pre/post penetration were carried out using the technique of nodal breakdown for cracks with short ligament length and the three-dimensional boundary element code BEM 3 D which was designed for a supercomputer. (author)

Quality factor due to roughness scattering of shear horizontal surface acoustic waves in nanoresonators

NARCIS (Netherlands)

Palasantzas, G.

2008-01-01

In this work we study the quality factor associated with dissipation due to scattering of shear horizontal surface acoustic waves by random self-affine roughness. It is shown that the quality factor is strongly influenced by both the surface roughness exponent H and the roughness amplitude w to

Generalization of fewest-switches surface hopping for coherences

Science.gov (United States)

Tempelaar, Roel; Reichman, David R.

2018-03-01

Fewest-switches surface hopping (FSSH) is perhaps the most widely used mixed quantum-classical approach for the modeling of non-adiabatic processes, but its original formulation is restricted to (adiabatic) population terms of the quantum density matrix, leaving its implementations with an inconsistency in the treatment of populations and coherences. In this article, we propose a generalization of FSSH that treats both coherence and population terms on equal footing and which formally reduces to the conventional FSSH algorithm for the case of populations. This approach, coherent fewest-switches surface hopping (C-FSSH), employs a decoupling of population relaxation and pure dephasing and involves two replicas of the classical trajectories interacting with two active surfaces. Through extensive benchmark calculations of a spin-boson model involving a Debye spectral density, we demonstrate the potential of C-FSSH to deliver highly accurate results for a large region of parameter space. Its uniform description of populations and coherences is found to resolve incorrect behavior observed for conventional FSSH in various cases, in particular at low temperature, while the parameter space regions where it breaks down are shown to be quite limited. Its computational expenses are virtually identical to conventional FSSH.

Effect of particle size and lattice strain on Debye–Waller factors of ...

Indian Academy of Sciences (India)

Administrator

refrigeration system and other biological applications and catalysis ... technique for fabrication of nanocrystalline structure with improved ... used to prepare the initial sample. ... but with preferred orientation of graphite particles along. [0 0 2].

Topography measurements for determining the decay factors in surface replication

International Nuclear Information System (INIS)

Song, J; Zheng, A; Vorburger, T V; Rubert, P

2008-01-01

The electro-forming technique is used at National Institute of Standards and Technology (NIST) for the production of standard reference material (SRM) 2461 standard casings to support nationwide ballistics measurement traceability and measurement quality control in the US. In order to ensure that the SRM casings are produced with virtually the same surface topography, it is necessary to test the decay factors of the replication process. Twenty-six replica casings are replicated from the same master casing for the decay factor tests. The NIST topography measurement system is used for measurements and correlations of surface topography. The topography decays are quantified by the cross-correlation function maximum CCF max . Based on the test, it is expected that 256 SRM casings can be replicated from the same master with CCF max values higher than 95%

A new method of Debye-Scherrer pattern integration on two-dimensional detectors, demonstrated for the new structure powder diffractometer (SPODI) at the FRM-II in Garching

CERN Document Server

Elf, F; Artus, G R J; Roth, S

2002-01-01

The expected diffraction patterns of the new powder diffractometer SPODI, currently under construction at the FRM-II in Garching, will be smeared Debye-Scherrer rings as depicted by Monte Carlo (MC) simulations. To overcome this disadvantage, a concept based on the combination of MC simulations and empirical approximation methods is developed to reverse the smearing by deconvolution and then summing up along the rings, including corrections for different arc lengths, resulting in conventional one-dimensional diffraction patterns suitable for Rietveld-refinement programs without further processing. (orig.)

Nanoscale roughness and morphology affect the IsoElectric Point of titania surfaces.

Directory of Open Access Journals (Sweden)

Francesca Borghi

Full Text Available We report on the systematic investigation of the role of surface nanoscale roughness and morphology on the charging behaviour of nanostructured titania (TiO2 surfaces in aqueous solutions. IsoElectric Points (IEPs of surfaces have been characterized by direct measurement of the electrostatic double layer interactions between titania surfaces and the micrometer-sized spherical silica probe of an atomic force microscope in NaCl aqueous electrolyte. The use of a colloidal probe provides well-defined interaction geometry and allows effectively probing the overall effect of nanoscale morphology. By using supersonic cluster beam deposition to fabricate nanostructured titania films, we achieved a quantitative control over the surface morphological parameters. We performed a systematical exploration of the electrical double layer properties in different interaction regimes characterized by different ratios of characteristic nanometric lengths of the system: the surface rms roughness Rq, the correlation length ξ and the Debye length λD. We observed a remarkable reduction by several pH units of IEP on rough nanostructured surfaces, with respect to flat crystalline rutile TiO2. In order to explain the observed behavior of IEP, we consider the roughness-induced self-overlap of the electrical double layers as a potential source of deviation from the trend expected for flat surfaces.

Finite length thermal equilibria of a pure electron plasma column

International Nuclear Information System (INIS)

Prasad, S.A.; O'Neil, T.M.

1979-01-01

The electrons of a pure electron plasma may be in thermal equilibrium with each other and still be confined by static magnetic and electric fields. Since the electrons make a significant contribution to the electric field, only certain density profiles are consistent with Poisson's equation. The class of such distributions for a finite length cylindrical column is investigated. In the limit where the Debye length is small compared with the dimensions of the column, the density is essentially constant out to some surface of revolution and then falls off abruptly. The falloff in density is a universal function when measured along the local normal to the surface of revolution and scaled in terms of the Debye length. The solution for the shape of the surface of revolution is simplified by passage to the limit of zero Debye length

Shielding factors for gamma radiation from activity deposited on structures and ground surfaces

International Nuclear Information System (INIS)

Hedemann Jensen, P.

1982-11-01

This report describes a computer model that calculates shielding factors for indoor residence in multistorey and single-family houses for gamma radiation from activity despoited on roofs, outer walls, and ground surfaces. The dimensions of the buildings including window areas and the nearby surroundings has to be speficied in the calculations. Shielding factors can be calculated for different photon energies and for a uniform surface activity distribution as well as for separate activity on roof, outer wall, and ground surface achieved from decontamination or different deposition velocities. For a given area with a known distribution of different houses a weighted shielding factor can be calculated as well as a time-averaged one based on a given residence time distribution for work/school, home, outdoors, and transportation. Calculated shielding factors are shown for typical Danish houses. To give an impression of the sensitivity of the shielding factor on the parameters used in the model, variations were made in some of the most important parameters: wall thickness, road and ground width, percentage of outer wall covered by windows, photon energy, and decontamination percentage for outer walls, ground and roofs. The uncertainity of the calculations is discussed. (author)

Effect of non-uniform surface resistance on the quality factor of superconducting niobium cavity

Science.gov (United States)

Tan, Weiwei; Lu, Xiangyang; Yang, Ziqin; Zhao, Jifei; Yang, Deyu; Yang, Yujia

2016-08-01

The formula Rs = G /Q0 is commonly used in the calculation of the surface resistance of radio frequency niobium superconducting cavities. The applying of such equation is under the assumption that surface resistance is consistent over the cavity. However, the distribution of the magnetic field varies over the cavity. The magnetic field in the equator is much higher than that in the iris. According to Thermal Feedback Theory, it leads non-uniform distribution of the density of heat flux, which results in a different temperature distribution along the cavity inter surface. The BCS surface resistance, which depends largely on the temperature, is different in each local inner surface. In this paper, the effect of surface non-uniform resistance on the quality factor has been studied, through the calculation of Q0 in the original definition of it. The results show that it is necessary to consider the non-uniform distribution of magnetic field when the accelerating field is above 20 MV/m for TESLA cavities. Also, the effect of inhomogeneity of residual resistance on the quality factor is discussed. Its distribution barely affects the quality factor.

Surface core level shifts of clean and oxygen covered Ir(111)

Energy Technology Data Exchange (ETDEWEB)

Bianchi, M; Cassese, D; Cavallin, A; Comin, R; Orlando, F; Postregna, L [Universita degli Studi di Trieste, Via A Valerio 2, 34127, Trieste (Italy); Golfetto, E; Baraldi, A [Dipartimento di Fisica e CENMAT, Universita degli Studi di Trieste, Via A Valerio 2, 34127, Trieste (Italy); Lizzit, S [Sincrotrone Trieste S.C.p.A., S.S. 14 Km 163.5, 34012 Trieste (Italy)], E-mail: alessandro.baraldi@elettra.trieste.it

2009-06-15

We present the results of high resolution core level photoelectron spectroscopy employed to investigate the electronic structure of clean and oxygen covered Ir(111) surface. Ir 4f{sub 7/2} core level spectra are shown to be very sensitive to the local atomic environment. For the clean surface we detected two distinct components shifted by 550 meV, originated by surface and bulk atoms. The larger Gaussian width of the bulk component is explained as due to experimentally unresolved subsurface components. In order to determine the relevance of the phonon contribution we examined the thermal behaviour of the core level lineshape using the Hedin-Rosengren theory. From the phonon-induced spectral broadening we found the Debye temperature of bulk and surface atoms to be 298 and 181 K, respectively, which confirms the softening of the vibrational modes at the surface. Oxygen adsorption leads to the appearance of new surface core level components at -200 meV and +230 meV, which are interpreted as due to first-layer Ir atoms differently coordinated with oxygen. The coverage dependence of these components demonstrates that the oxygen saturation corresponds to 0.38 ML, in good agreement with recent density functional theory calculations.

Modification of the ASME code z-factor for circumferential surface crack in nuclear ferritic pipings

International Nuclear Information System (INIS)

Choi, Young Hwan; Chung, Yon Ki; Koh, Wan Young; Lee, Joung Bae

1996-01-01

The purpose of this paper is to modify the ASME Code Z-Factor, which is used in the evaluation of circumferential surface crack in nuclear ferritic pipings. The ASME Code Z-Factor is a load multiplier to compensate plastic load with elasto-plastic load. The current ASME Code Z-Factor underestimates pipe maximum load. In this study, the original SC. TNP method is modified first because the original SC. TNP method has a problem that the maximum allowable load predicted from the original SC. TNP method is slightly higher than that measured from the experiment. Then the new Z-Factor is developed using the modified SC. TNP method. The desirability of both the modified SC. TNP method and the new Z-Factor is examined using the experimental results for the circumferential surface crack in pipings. The results show that (1) the modified SC. TNP method is good for predicting the circumferential surface crack behavior in pipings, and (2) the Z-Factor obtained from the modified SC. TNP method well predicts the behavior of circumferential surface crack in ferritic pipings. 30 refs., 13 figs., 4 tabs. (author)

Refined toric branes, surface operators and factorization of generalized Macdonald polynomials

Science.gov (United States)

Zenkevich, Yegor

2017-09-01

We find new universal factorization identities for generalized Macdonald polynomials on the topological locus. We prove the identities (which include all previously known forumlas of this kind) using factorization identities for matrix model averages, which are themselves consequences of Ding-Iohara-Miki constraints. Factorized expressions for generalized Macdonald polynomials are identified with refined topological string amplitudes containing a toric brane on an intermediate preferred leg, surface operators in gauge theory and certain degenerate CFT vertex operators.

Experimental and theoretical study of rotationally inelastic diffraction of H{sub 2}(D{sub 2}) from methyl-terminated Si(111)

Energy Technology Data Exchange (ETDEWEB)

Nihill, Kevin J.; Hund, Zachary M.; Sibener, S. J., E-mail: s-sibener@uchicago.edu [The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States); Muzas, Alberto; Cueto, Marcos del [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Díaz, Cristina [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, 28049 Madrid (Spain); Frankcombe, Terry [School of Physical, Environmental and Mathematical Sciences, University of New South Wales, Canberra ACT 2610 (Australia); Plymale, Noah T.; Lewis, Nathan S. [Division of Chemistry and Chemical Engineering, Beckman Institute and Kavli Nanoscience Institute, California Institute of Technology, 210 Noyes Laboratory, 127-72, Pasadena, California 91125 (United States); Martín, Fernando [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, 28049 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Cantoblanco, 28049 Madrid (Spain)

2016-08-28

Fundamental details concerning the interaction between H{sub 2} and CH{sub 3}–Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H{sub 2} and D{sub 2} from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H{sub 2} compared to the strong RID features observed for D{sub 2} over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuation of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH{sub 3}–Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H{sub 2} and D{sub 2} have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H{sub 2} (D{sub 2}) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H{sub 2}(D{sub 2})/CH{sub 3}−Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H{sub 2} with a hybrid organic-semiconductor interface, which can be used

Relation between interfacial structure and mechanical properties in AlN/TiN bilayers investigated by EXAFS

International Nuclear Information System (INIS)

Ersen, O.; Tuilier, M.-H.; Thobor-Keck, A.; Rousselot, C.; Cortes, R.

2005-01-01

The relation between the mechanical properties and the structure of AlN/TiN bilayers prepared by reactive magnetron sputtering in the 600 nm range is investigated. Al and Ti K-edge extended X-ray absorption fine structure is used in order to determine the local order around Al and Ti by comparison with 300 nm thick AlN and TiN single layers. The use of this powerful local probe allows the evidence of intermixing between AlN and TiN deposited layers, which is suggested by glow discharge optical emission spectroscopy experiments. The effect of ionic bombardment applied at various steps of the deposition process is studied. The ionic bombardment applied during the deposit induces substantial changes in the absorption spectra that are assigned to a decrease of intermixing and an improvement of local order. Simulations of (Al, Ti)N ternary alloys Al and Ti K-edge absorption spectra for increasing mean occupation factors C Ti (C Al ) of Ti(Al) substituting Al(Ti) in hexagonal AlN (cubic TiN) lattice are performed in order to determine the initial parameters for the fit of the experimental data. The refinements performed by using FEFFIT software demonstrate that an ionic bombardment applied during the deposition phase results in a significant reduction of the number of Al-Ti pairs within the bilayer and an improvement of the local order around Ti and Al, which is quantified by a decrease of the Debye-Waller parameters. This structural evolution is tentatively correlated with the improvement of mechanical properties of the bilayers

Relation between interfacial structure and mechanical properties in AlN/TiN bilayers investigated by EXAFS

Energy Technology Data Exchange (ETDEWEB)

Ersen, O. [Equipe de Recherche Mecanique, Materiaux et Procedes de Fabrication, 61, rue Albert Camus, F-68093 Mulhouse (France)]. E-mail: ovidiu.ersen@ipcms.u-strasbg.fr; Tuilier, M.-H. [Equipe de Recherche Mecanique, Materiaux et Procedes de Fabrication, 61, rue Albert Camus, F-68093 Mulhouse (France); Thobor-Keck, A. [Centre de Recherche sur les Ecoulements les Surfaces et les Transferts (UMR CNRS 6000), ITSFC, 4, place Tharradin, BP 71427, F-25211 Montbeliard (France); Rousselot, C. [Centre de Recherche sur les Ecoulements les Surfaces et les Transferts (UMR CNRS 6000), ITSFC, 4, place Tharradin, BP 71427, F-25211 Montbeliard (France); Cortes, R. [Laboratoire de Physique de la Matiere Condensee (UMR CNRS 7643), Ecole Polytechnique, F-91128 Palaiseau cedex (France)

2005-06-01

The relation between the mechanical properties and the structure of AlN/TiN bilayers prepared by reactive magnetron sputtering in the 600 nm range is investigated. Al and Ti K-edge extended X-ray absorption fine structure is used in order to determine the local order around Al and Ti by comparison with 300 nm thick AlN and TiN single layers. The use of this powerful local probe allows the evidence of intermixing between AlN and TiN deposited layers, which is suggested by glow discharge optical emission spectroscopy experiments. The effect of ionic bombardment applied at various steps of the deposition process is studied. The ionic bombardment applied during the deposit induces substantial changes in the absorption spectra that are assigned to a decrease of intermixing and an improvement of local order. Simulations of (Al, Ti)N ternary alloys Al and Ti K-edge absorption spectra for increasing mean occupation factors C {sub Ti} (C {sub Al}) of Ti(Al) substituting Al(Ti) in hexagonal AlN (cubic TiN) lattice are performed in order to determine the initial parameters for the fit of the experimental data. The refinements performed by using FEFFIT software demonstrate that an ionic bombardment applied during the deposition phase results in a significant reduction of the number of Al-Ti pairs within the bilayer and an improvement of the local order around Ti and Al, which is quantified by a decrease of the Debye-Waller parameters. This structural evolution is tentatively correlated with the improvement of mechanical properties of the bilayers.

Removal factor determination of some local smear papers for surface contamination smear test

International Nuclear Information System (INIS)

Suratman; Indriyotomo, D.; Aminjoyo, S.

1996-01-01

Removal factor determination of some local smear papers has been done, using dry smear test method. The aim of this research is to find removal values of local smear papers on some surfaces, to replace import smear papers. Smear test was done on the various surfaces i.e.: porcelain, formica, glass, stainless steel, steel and PVC, with the local smear papers I.e.: Padalarang, Diagonal, Concorde, Marga, Hard Cloth, and import smear paper. The artificial contaminant which used were I-131 and P-32. The removal factor values of Padalarang paper for surfaces: porcelain, formica, glass stainless steel, steel and PVC were: 24.5%, 20.0%, 27.0%, 6.8%, 4.9%, and 13.6% respectively. The removal factor values of Diagonal paper were:18.4%, 15.9%, 5.7%, 3.5%, and 9.1% respectively. The removal factor values of concord paper were: 18.5%, 20.3%, 23.1%, 6.6%, 3.8%, and 9.0% respectively. The removal factor values of Marga paper were: 16.7%, 13.5%, 21.1%, 4.2%, 4.1% and 8.1% respectively. The removal factor values of Hard Cloth were: 18.6%, 12.6%, 20.5%, 8.2%, and 10.1% respectively. The removal factor values of import smear paper were: 17.8%, 15.0%, 18.8%, 9.1%, 4.8%, and 14.4% respectively . Substitution alternative of import smear paper is Padalarang. (author)

Tailoring Surface Impurity Content to Maximize Q-factors of Superconducting Resonators

Energy Technology Data Exchange (ETDEWEB)

Martinello, Martina [Illinois Inst. of Technology, Chicago, IL (United States); Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Checchin, Mattia [Illinois Inst. of Technology, Chicago, IL (United States); Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Grassellino, Anna [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Melnychuk, Oleksandr [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Posen, Sam [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Romanenko, Alexander [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Sergatskov, Dmitri [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Zasadzinski, John [Illinois Inst. of Technology, Chicago, IL (United States)

2016-06-01

Quality factor of superconducting radio-frequency (SRF) cavities is degraded whenever magnetic flux is trapped in the cavity walls during the cooldown. In this contribution we study how the trapped flux sensitivity, defined as the trapped flux surface resistance normalized for the amount of flux trapped, depends on the mean free path. A variety of 1.3 GHz cavities with different surface treatments (EP, 120 C bake and different N-doping) were studied in order to cover the largest range of mean free path nowadays achievable, from few to thousands of nanometers. A bell shaped trend appears for the range of mean free path studied. Over doped cavities falls at the maximum of this curve defining the largest values of sensitivity. In addition, we have also studied the trend of the BCS surface resistance contribution as a function of mean free path, revealing that N-doped cavities follow close to the theoretical minimum of the BCS surface resistance as a function of the mean free path. Adding these results together we unveil that optimal N-doping treatment allows to maximize Q-factor at 2 K and 16 MV/m until the magnetic field fully trapped during the cavity cooldown stays below 10 mG.

Investigation of interaction between the Pt(II) ions and aminosilane-modified silica surface in heterogeneous system

Science.gov (United States)

Nowicki, Waldemar; Gąsowska, Anna; Kirszensztejn, Piotr

2016-05-01

UV-vis spectroscopy measurements confirmed the reaction in heterogeneous system between Pt(II) ions and ethylenediamine type ligand, n-(2-aminoethyl)-3-aminopropyl-trimethoxysilane, immobilized at the silica surface. The formation of complexes is a consequence of interaction between the amine groups from the ligand grafted onto SiO2 and ions of platinum. A potentiometric titration technique was to determine the stability constants of complexes of Pt(II) with immobilized insoluble ligand (SG-L), on the silica gel. The results show the formation of three surface complexes of the same type (PtHSG-L, Pt(HSG-L)2, PtSG-L) with SG-L ligand, in a wide range of pH for different Debye length. The concentration distribution of the complexes in a heterogeneous system is evaluated.

Time-domain analysis of surface-plasmon-polariton propagation in Ag nano-films using a generalized polarization approach

KAUST Repository

Al-Jabr, Ahmad

2010-01-01

A time-domain analysis of the propagation properties of surface-plasmon-polaritons (SPP) in Silver nanostructures is presented. The analysis is based on a simulation algorithm that unifies the formulation of different dispersion models and multi-pole relations into one form. The main objective of this work is to perform a comparative analysis between different dispersion models used for Silver, including Debye, Drude and multi-pole Lorentz-Drude models. The quantities that are used in the comparison are the SPP propagation length and propagation speed. Experimental results reported in literature are used to support the conclusions.

Fate factors and emission flux estimates for emerging contaminants in surface waters

Directory of Open Access Journals (Sweden)

Hoa T. Trinh

2016-01-01

Full Text Available Pharmaceuticals, personal care products, hormones, and wastewater products are emerging environmental concerns for manifold reasons, including the potential of some compounds found in these products for endocrine disruption at a very low chronic exposure level. The environmental occurrences and sources of these contaminants in the water, soil, sediment and biota in European nations and the United States are well documented. This work reports a screening-level emission and fate assessment of thirty compounds, listed in the National Reconnaissance of the United States Geological Survey (USGS, 1999–2000 as the most frequently detected organic wastewater contaminants in U.S. streams and rivers. Estimations of the surface water fate factors were based on Level II and Level III multimedia fugacity models for a 1000 km2 model environment, the size of a typical county in the eastern United States. The compounds are categorized into three groups based upon the sensitivity of their predicted surface water fate factors to uncertainties in their physicochemical property values and the landscape parameters. The environmental fate factors, mass distributions, and loss pathways of all of the compounds are strongly affected by their assumed modes of entry into the environment. It is observed that for thirteen of the thirty organic wastewater contaminants most commonly detected in surface waters, conventional treatment strategies may be ineffective for their removal from wastewater effluents. The surface water fate factors predicted by the fugacity models were used in conjunction with the surface water concentrations measured in the USGS reconnaissance to obtain emission flux estimates for the compounds into U.S. streams and rivers. These include estimated fluxes of 6.8 × 10−5 to 0.30 kg/h km2 for the biomarker coprostanol; 1.7 × 10−5 to 6.5 × 10−5 kg/h km2 for the insect repellent N,N-diethyltoluamide; and 4.3 × 10−6 to 3.1 × 10−5 kg/h km2 for

Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

Directory of Open Access Journals (Sweden)

Pablo Zuluaga-Ramírez

2015-11-01

Full Text Available This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL and realistic variable amplitude loads (VAL, representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications.

Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

Science.gov (United States)

Zuluaga-Ramírez, Pablo; Frövel, Malte; Belenguer, Tomás; Salazar, Félix

2015-01-01

This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL) and realistic variable amplitude loads (VAL), representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications. PMID:28793655

Modification of transition's factor in the compact surface-potential-based MOSFET model

Directory of Open Access Journals (Sweden)

Kevkić Tijana

2016-01-01

Full Text Available The modification of an important transition's factor which enables continual behavior of the surface potential in entire useful range of MOSFET operation is presented. The various modifications have been made in order to obtain an accurate and computationally efficient compact MOSFET model. The best results have been achieved by introducing the generalized logistic function (GL in fitting of considered factor. The smoothness and speed of the transition of the surface potential from the depletion to the strong inversion region can be controlled in this way. The results of the explicit model with this GL functional form for transition's factor have been verified extensively with the numerical data. A great agreement was found for a wide range of substrate doping and oxide thickness. Moreover, the proposed approach can be also applied on the case where quantum mechanical effects play important role in inversion mode.

SU-E-T-577: Obliquity Factor and Surface Dose in Proton Beam Therapy

International Nuclear Information System (INIS)

Das, I; Andersen, A; Coutinho, L

2015-01-01

Purpose: The advantage of lower skin dose in proton beam may be diminished creating radiation related sequalae usually seen with photon and electron beams. This study evaluates the surface dose as a complex function of beam parameters but more importantly the effect of beam angle. Methods: Surface dose in proton beam depends on the beam energy, source to surface distance, the air gap between snout and surface, field size, material thickness in front of surface, atomic number of the medium, beam angle and type of nozzle (ie double scattering, (DS), uniform scanning (US) or pencil beam scanning (PBS). Obliquity factor (OF) is defined as ratio of surface dose in 0° to beam angle Θ. Measurements were made in water phantom at various beam angles using very small microdiamond that has shown favorable beam characteristics for high, medium and low proton energy. Depth dose measurements were performed in the central axis of the beam in each respective gantry angle. Results: It is observed that surface dose is energy dependent but more predominantly on the SOBP. It is found that as SSD increases, surface dose decreases. In general, SSD, and air gap has limited impact in clinical proton range. High energy has higher surface dose and so the beam angle. The OF rises with beam angle. Compared to OF of 1.0 at 0° beam angle, the value is 1.5, 1.6, 1,7 for small, medium and large range respectively for 60 degree angle. Conclusion: It is advised that just like range and SOBP, surface dose should be clearly understood and a method to reduce the surface dose should be employed. Obliquity factor is a critical parameter that should be accounted in proton beam therapy and a perpendicular beam should be used to reduce surface dose

The dependence of the nuclear charge form factor on short range correlations and surface fluctuation effects

International Nuclear Information System (INIS)

Massen, S. E.; Garistov, V. P.; Grypeos, M. E.

1996-01-01

The effects of nuclear surface fluctuations on harmonic oscillator elastic charge form factor of light nuclei are investigated, simultaneously approximating the short-range correlations through a Jastrow correlation factor. Inclusion of the surface fluctuation effects within this description, by truncating the cluster expansion at the two-body part, is found to improve somewhat the fit to the elastic charge form-factor of 16 O and 40 Ca. However, the convergence of the cluster expansion is expected to deteriorate. An additional finding is that surface-fluctuation correlations produce a drastic change in the asymptotic behaviour of the point-proton form-factor, which now falls off quite slowly (i.e. as const.q -4 ) at large values of the momentum transfer q

Radiation exchange factors between specular inner surfaces of a rectangular enclosure such as transplant production unit

International Nuclear Information System (INIS)

Abdel-Ghany, Ahmed M.; Kozai, Toyoki

2006-01-01

General mathematical relations are presented for the specular exchange factors, F S , of diffuse radiation exchange between the inner surfaces of a rectangular enclosure. Three of these surfaces are specular reflectors, diffuse emitters and the fourth surface is a diffuse reflector, diffuse emitter. This enclosure can be used as a transplant production unit with artificial lighting for electric energy saving purposes. An image system and the crossed string method are used to derive these relations. The resulting expressions are conceptually simple and similar to the commonly known expressions of the exchange factors between diffuse surfaces, F. The accuracy of the presented F S relations was examined for different numbers of multiple reflections, N, on the specular surfaces and for different aspect ratios (ratio of the width, w to the height, h). The results proved that the relations are accurate and strongly satisfy the well-known relation of the radiation exchange between enclosure surfaces and satisfy the reciprocity relation. For any aspect ratio, considering N of 150 between highly reflective surfaces (ρ = 0.99) is sufficient to estimate the F S factors without any possible error. Using specular reflecting surfaces in such cases significantly reduces the electric energy consumption used for lighting

Mechanical Q-factor measurements on a test mass with a structured surface

Energy Technology Data Exchange (ETDEWEB)

Nawrodt, R [Institut fuer Festkoerperphysik, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 5, D-07743 Jena (Germany); Zimmer, A [Institut fuer Festkoerperphysik, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 5, D-07743 Jena (Germany); Koettig, T [Institut fuer Festkoerperphysik, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 5, D-07743 Jena (Germany); Clausnitzer, T [Institut fuer Angewandte Physik, Friedrich-Schiller-Universitaet Jena, Max-Wien-Platz 1, D-07743 Jena (Germany); Bunkowski, A [Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut) and Institut fuer Gravitationsphysik, Leibniz Universitaet Hannover, Callinstr. 38, D-30167 Hannover (Germany); Kley, E B [Institut fuer Angewandte Physik, Friedrich-Schiller-Universitaet Jena, Max-Wien-Platz 1, D-07743 Jena (Germany); Schnabel, R [Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut) and Institut fuer Gravitationsphysik, Leibniz Universitaet Hannover, Callinstr. 38, D-30167 Hannover (Germany); Danzmann, K [Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut) and Institut fuer Gravitationsphysik, Leibniz Universitaet Hannover, Callinstr. 38, D-30167 Hannover (Germany); Nietzsche, S [Institut fuer Festkoerperphysik, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 5, D-07743 Jena (Germany); Vodel, W [Institut fuer Festkoerperphysik, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 5, D-07743 Jena (Germany); Tuennermann, A [Institut fuer Angewandte Physik, Friedrich-Schiller-Universitaet Jena, Max-Wien-Platz 1, D-07743 Jena (Germany); Seidel, P [Institut fuer Festkoerperphysik, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 5, D-07743 Jena (Germany)

2007-07-15

We present mechanical Q-factors (quality factors) of a crystalline quartz test mass with a nano-structured surface, measured in the temperature regime from 5 to 300 K. The nano-structure was a grating with a period of 2 {mu}m and a depth of about 0.1 {mu}m. Comparative measurements were performed on the plain substrate and on the structured test mass with different numbers of SiO{sub 2}/Ta{sub 2}O{sub 5} coating layers. The measurements at different stages of the test mass fabrication process show that the surface distortion induced by the nanostructure does not severely lower the mechanical Q-factor of the substrate. Damping due to a multi-layer coating stack was found to be orders of magnitude higher. The results provide vital information concerning the potential usage of low-thermal noise nano-structured test masses in future generations of high-precision laser interferometers and in current attempts to measure quantum effects of macroscopic mirror oscillators.

Modeling wind adjustment factor and midflame wind speed for Rothermel's surface fire spread model

Science.gov (United States)

Patricia L. Andrews

2012-01-01

Rothermel's surface fire spread model was developed to use a value for the wind speed that affects surface fire, called midflame wind speed. Models have been developed to adjust 20-ft wind speed to midflame wind speed for sheltered and unsheltered surface fuel. In this report, Wind Adjustment Factor (WAF) model equations are given, and the BehavePlus fire modeling...

An Analytical Expression for the Electric Field and Particle Tracing in Modelling of Be Erosion Experiments at the JET ITER-like Wall

Czech Academy of Sciences Publication Activity Database

Borodkina, I.; Borodin, D.; Kirschner, A.; Tsvetkov, I.V.; Kurnaev, V.A.; Komm, Michael; Dejarnac, Renaud

2016-01-01

Roč. 56, 6-8 (2016), s. 640-645 ISSN 0863-1042. [International Workshop on Plasma Edge Theory in Fusion Devices ( PET ) 2015/15./. Nara, 09.09.2015-11.09.2015] Institutional support: RVO:61389021 Keywords : Plasma-surface interaction * JET * ITER-like wall * beryllium * erosion * ERO code * magnetic pre-sheath * the Debye sheath * oblique magnetic field * electric field * sputtering Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.440, year: 2016

Surface water acidification and critical loads: exploring the F-factor

Directory of Open Access Journals (Sweden)

K. Bishop

2009-11-01

Full Text Available As acid deposition decreases, uncertainties in methods for calculating critical loads become more important when judgements have to be made about whether or not further emission reductions are needed. An important aspect of one type of model that has been used to calculate surface water critical loads is the empirical F-factor which estimates the degree to which acid deposition is neutralised before it reaches a lake at any particular point in time relative to the pre-industrial, steady-state water chemistry conditions.

In this paper we will examine how well the empirical F-functions are able to estimate pre-industrial lake chemistry as lake chemistry changes during different phases of acidification and recovery. To accomplish this, we use the dynamic, process-oriented biogeochemical model SAFE to generate a plausible time series of annual runoff chemistry for ca. 140 Swedish catchments between 1800 and 2100. These annual hydrochemistry data are then used to generate empirical F-factors that are compared to the "actual" F-factor seen in the SAFE data for each lake and year in the time series. The dynamics of the F-factor as catchments acidify, and then recover are not widely recognised.

Our results suggest that the F-factor approach worked best during the acidification phase when soil processes buffer incoming acidity. However, the empirical functions for estimating F from contemporary lake chemistry are not well suited to the recovery phase when the F-factor turns negative due to recovery processes in the soil. This happens when acid deposition has depleted the soil store of BC, and then acid deposition declines, reducing the leaching of base cations to levels below those in the pre-industrial era. An estimate of critical load from water chemistry during recovery and empirical F functions would therefore result in critical loads that are too low. Therefore, the empirical estimates of the F-factor are a significant source of

Surface Water Quality Assessment and Prioritize the Factors Pollute This Water Using Topsis Fuzzy Hierarchical Analysis

Directory of Open Access Journals (Sweden)

Mehdi Komasi

2017-03-01

Full Text Available Background & Objective: Nowadays, according to growth of industry and increasing population, water resources are seriousely shortened. This lack of water resources will require special management to be considered in industry and agriculture. Among the various sources of water, surface waters are more susceptible to infection. The most important of these sources of pollution are industrial pollution, detergent, pesticides, radioactive materials, heat and salt concentration.  Materials & methods: In this article, at first the importance of each pollutant will be evaluated base on the effects and its results and then quality evaluation of surface water will be studied. In order to assess the relative importance of these pollutants primarily using TOPSIS software, prioritize these factors as one of the hierarchical analysis and then is modeled with decision tree method using Weka software, the importance of each factor is evaluated and if it does not meet the minimal importance of the decision tree will be removed. Results: The results obtained from the Topsis fuzzy analysis indicate that surface water and groundwater are exposed to pollution about 74% and 26% respectively among the six pollutants examined in this study. In addition, results obtaned from the hierarchical tree in software Weka has shown that the heat factor, soluble salts and industrial pollutants give impac factor or purity about 0.1338, 0.0523 and 1.2694 respectively. Conclusion: Surface water is at greater risk of being polluted compared with groundwater. The heat factor and low concentration of dissolved salts have the low impact and industrial pollutants are considered as the most influential factors in surface water pollution.

Parametric plasma surface instabilities with s-polarized radiation

International Nuclear Information System (INIS)

Rappaport, H.L.

1994-01-01

The authors argue that parametric plasma surface mode excitation is a viable broadband instability mechanism in the microwave regime since the wavelength of incident radiation ca be large compared to plasma ion density gradient scale lengths. They restrict their attention to plasmas which are uniform in the planes perpendicular to the density gradients. The boundary is characterized by three parameters: (1) the ion density gradient scale length, (2) the electron Debye length, and (3) the excursion of boundary electrons as they move in response to monochromatic radiation. For s-polarized radiation, equilibrium fluid motion is parallel to the boundary when the ratio of the pump quiver velocity to the speed of light is small. In this case, an abruptly bounded plasma may be modeled with no transition width. If in this case the cold fluid approximation is used as well, the specular and diffuse boundary approximations become the same. A new formation is presented in which pump induced perturbations are expressed as an explicit superposition of linear and non-linear plasma half-space modes. A four-wave interaction is found to produce instability as well as surface wave frequency-shift. This mode is compared against other modes known to exist in this geometry. The theory of surface wave linear mode conversion is reviewed with special attention paid to power flow and energy conservation in this system

Analysis of the Pathogenic Factors and Management of Dry Eye in Ocular Surface Disorders.

Science.gov (United States)

Nebbioso, Marcella; Del Regno, Paola; Gharbiya, Magda; Sacchetti, Marta; Plateroti, Rocco; Lambiase, Alessandro

2017-08-13

The tear film represents the interface between the eye and the environment. The alteration of the delicate balance that regulates the secretion and distribution of the tear film determines the dry eye (DE) syndrome. Despite having a multifactorial origin, the main risk factors are female gender and advanced age. Likewise, morphological changes in several glands and in the chemical composition of their secretions, such as proteins, mucins, lipidics, aqueous tears, and salinity, are highly relevant factors that maintain a steady ocular surface. Another key factor of recurrence and onset of the disease is the presence of local and/or systemic inflammation that involves the ocular surface. DE syndrome is one of the most commonly encountered diseases in clinical practice, and many other causes related to daily life and the increase in average life expectancy will contribute to its onset. This review will consider the disorders of the ocular surface that give rise to such a widespread pathology. At the end, the most recent therapeutic options for the management of DE will be briefly discussed according to the specific underlying pathology.

High-pressure and high-temperature physical properties of half-metallic full-Heusler alloy Mn{sub 2}RuSi by first-principles and quasi-harmonic Debye model

Energy Technology Data Exchange (ETDEWEB)

Song, Ting [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Ma, Qin, E-mail: maqin_lut@yeah.net [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); Sun, Xiao-Wei [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Liu, Zi-Jiang [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Department of Physics, Lanzhou City University, Lanzhou 730070 (China); Wei, Xiao-Ping [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Tian, Jun-Hong [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China)

2017-02-15

First-principles calculations based on density functional theory and quasi-harmonic Debye model are used to investigate the high-pressure and high-temperature physical properties, including the lattice constant, magnetic moment, density of states, pressure-volume-temperature relationship, bulk modulus, thermal expansivity, heat capacity, and Grüneisen parameter for the new Mn-based full-Heusler alloy Mn{sub 2}RuSi in CuHg{sub 2}Ti-type structure. The optimized equilibrium lattice constant is consistent with experimental and other theoretical results. The calculated total spin magnetic moment remains an integral value of 2.0 μ{sub B} in the lattice constant range of 5.454–5.758 Å, and then decreases very slowly with the decrease of lattice constant to 5.333 Å. By the spin resolved density of states calculations, we have shown that Mn{sub 2}RuSi compound presents half-metallic ferrimagnetic properties under the equilibrium lattice constant. The effects of temperature and pressure on bulk modulus, thermal expansivity, heat capacity, and Grüneisen parameter are opposite, which are consistent with a compression rate of volume. Furthermore, the results show that the effect of temperature is larger than pressure for heat capacity and the effect of high temperature and pressure on thermal expansion coefficient is small. All the properties of Mn{sub 2}RuSi alloy are summarized in the pressure range of 0–100 GPa and the temperature up to 1200 K. - Highlights: • High-pressure and high-temperature physical properties of Mn2RuSi were investigated. • Ferrimagnetic ground state has been confirmed in Mn2RuSi alloy. • The first-principle calculations and quasi-harmonic Debye model were used. • The pressure up to 100 GPa and the temperature up to 1200 K.

A Particle-In-Cell approach to particle flux shaping with a surface mask

Directory of Open Access Journals (Sweden)

G. Kawamura

2017-08-01

Full Text Available The Particle-In-Cell simulation code PICS has been developed to study plasma in front of a surface with two types of masks, step-type and roof-type. Parameter scans with regard to magnetic field angle, electron density, and mask height were carried out to understand their influence on ion particle flux distribution on a surface. A roof-type mask with a small mask height yields short decay length in the flux distribution which is consistent with that estimated experimentally. A roof-type mask with a large height yields very long decay length and the flux value does not depend on a mask height or an electron density, but rather on a mask length and a biasing voltage of the surface. Mask height also changes the flux distribution apart from the mask because of the shading effect of the mask. Electron density changes the distribution near the mask edge according to the Debye length. Dependence of distribution on parameters are complicated especially for a roof-type mask, and simulation study with various parameters are useful to understand the physical reasons of dependence and also is useful as a tool for experiment studies.

Influence of physicochemical factors on microplasticity of surface layer of molybdenum single crystals

International Nuclear Information System (INIS)

Savenko, V.I.; Kuchumova, V.M.; Kochanova, L.A.; Shchukin, E.D.

1984-01-01

Microplasticity of the surface layer (not more than 10 μm) of a molybdenum monocrystal was investigated by the methods of ultramicrosclerometry and microindentation. Tests of samples with clean surface and with monolayer octadecylamine film were conducted in the air at 60% relative humidity. Microplastic deformation of samples was conducted by slipping of garnet needle on crystal surface with 10 -6 -10 -2 N force. Sclerograms represented etch pits corresponding to dislocation discharges on the surface. The linear density of dislocations in indentor routes and statistic factor (the probability of plastic deformation at assigned force) were used as microplasticity characteristics. It was revealed that plane (111) is the most prone to plastic damage and plane (100) is the least prone to it

[Factors related to the influence on congenital malformation of body surface in Shaanxi province].

Science.gov (United States)

Ying, J; Lei, Q; Qin, B W; Qu, P F; Lei, F L; Dang, S N; Zeng, L X; Yan, H

2016-12-10

Objective: To investigate the influencing factors on congenital malformation of body surface. Methods: Multi-stage stratified random sampling method was adopted. A questionnaire survey was conducted among the childbearing aged women who experienced more than 28 weeks pregnancy or having definite pregnancy outcomes in Shaanxi, during 2010-2013. Results: Results from the logistic regression model showed that factors as: intrahepatic cholestasis of pregnancy ( OR =21.76, 95 %CI : 4.46-106.25), histories with abnormal pregnancy or reproduction ( OR =11.88, 95 %CI : 9.14-15.45), having birth defects in the family ( OR =6.15, 95 %CI : 2.66-14.23), being twins ( OR =5.74, 95 % CI : 3.34-9.86), being worker (compared with others, OR =2.47, 95 % CI : 1.30-4.68) or farmer (compared with others, OR =1.91, 95 %CI : 1.14-3.20), less than 4 times of antenatal care (compared with >7, OR =1.84, 95 % CI : 1.28-2.64), occupational exposure to related risks during pregnancy ( OR =1.74, 95 % CI : 1.26-2.42), mother's hometown was from mid-part of Shaanxi (compared with northern Shaanxi, OR =1.65, 95 %CI : 1.20-2.28), mother's native residence was from the rural areas ( OR =1.75, 95 % CI : 1.13-2.71), drug use ( OR =1.64, 95 % CI : 1.26-2.13) etc . were risk factors for congenital malformation of body surface. Iron supplement during pregnancy ( OR =0.46, 95 %CI : 0.21-0.99) appeared as protective factor for congenital malformation of body surface. Conclusion: The following factors seemed to be of risk for congenital malformation of body surface, including: mother's native area was from the middle part of Shaanxi and living in rural area, being worker or farmer, histories of abnormal pregnancy and reproduction, history of birth defects in the family, being twins, with antenatal care less than 4 times, occupational exposure to dangerous materials, drug use, intrahepatic cholestasis during pregnancy etc .

Calculation of NaCl, KCl and LiCl Salts Activity Coefficients in Polyethylene Glycol (PEG4000)-Water System Using Modified PHSC Equation of State, Extended Debye-Hückel Model and Pitzer Model

Science.gov (United States)

Marjani, Azam

2016-07-01

For biomolecules and cell particles purification and separation in biological engineering, besides the chromatography as mostly applied process, aqueous two-phase systems (ATPS) are of the most favorable separation processes that are worth to be investigated in thermodynamic theoretically. In recent years, thermodynamic calculation of ATPS properties has attracted much attention due to their great applications in chemical industries such as separation processes. These phase calculations of ATPS have inherent complexity due to the presence of ions and polymers in aqueous solution. In this work, for target ternary systems of polyethylene glycol (PEG4000)-salt-water, thermodynamic investigation for constituent systems with three salts (NaCl, KCl and LiCl) has been carried out as PEG is the most favorable polymer in ATPS. The modified perturbed hard sphere chain (PHSC) equation of state (EOS), extended Debye-Hückel and Pitzer models were employed for calculation of activity coefficients for the considered systems. Four additional statistical parameters were considered to ensure the consistency of correlations and introduced as objective functions in the particle swarm optimization algorithm. The results showed desirable agreement to the available experimental data, and the order of recommendation of studied models is PHSC EOS > extended Debye-Hückel > Pitzer. The concluding remark is that the all the employed models are reliable in such calculations and can be used for thermodynamic correlation/predictions; however, by using an ion-based parameter calculation method, the PHSC EOS reveals both reliability and universality of applications.

Growth factor delivery: How surface interactions modulate release in vitro and in vivo

Science.gov (United States)

King, William J.; Krebsbach, Paul H.

2013-01-01

Biomaterial scaffolds have been extensively used to deliver growth factors to induce new bone formation. The pharmacokinetics of growth factor delivery has been a critical regulator of their clinical success. This review will focus on the surface interactions that control the non-covalent incorporation of growth factors into scaffolds and the mechanisms that control growth factor release from clinically relevant biomaterials. We will focus on the delivery of recombinant human bone morphogenetic protein-2 from materials currently used in the clinical practice, but also suggest how general mechanisms that control growth factor incorporation and release delineated with this growth factor could extend to other systems. A better understanding of the changing mechanisms that control growth factor release during the different stages of preclinical development could instruct the development of future scaffolds for currently untreatable injuries and diseases. PMID:22433783

Surface structure of VN0.89(100) determined by low-energy electron diffraction

International Nuclear Information System (INIS)

Gauthier, Y.; Joly, Y.; Rundgren, J.; Johansson, L.I.; Wincott, P.

1990-01-01

The structure of the (100) surface of substoichiometric vanadium nitride was studied by low-energy electron diffraction on a VN 0.89 (100) sample. A simple 1x1 (100) diffractogram was observed. To describe the electron scattering in substoichiometric VN we apply the averaged t-matrix approximation to the nitrogen atoms. We find that the best structural model is one having no nitrogen vacancies in the surface region. It turns out that the first layer is rippled with the N atoms displaced 0.17 A above the subplane of V atoms, that the spacing between this subplane and the second layer is 1.92 A, and that the spacing between the second and the third layer is 2.08 A. In relation to the (100) spacing of the bulk, 2.06 A, these spacings are 6.8% contracted and 1% expanded, respectively. The Debye temperature of VN is found to be 660 K in good agreement with a prediction from entropy data and from neutron diffraction and helium-ion channeling experiments

Calculation of Operations Efficiency Factors for Mars Surface Missions

Science.gov (United States)

Laubach, Sharon

2014-01-01

The duration of a mission--and subsequently, the minimum spacecraft lifetime--is a key component in designing the capabilities of a spacecraft during mission formulation. However, determining the duration is not simply a function of how long it will take the spacecraft to execute the activities needed to achieve mission objectives. Instead, the effects of the interaction between the spacecraft and ground operators must also be taken into account. This paper describes a method, using "operations efficiency factors", to account for these effects for Mars surface missions. Typically, this level of analysis has not been performed until much later in the mission development cycle, and has not been able to influence mission or spacecraft design. Further, the notion of moving to sustainable operations during Prime Mission--and the effect that change would have on operations productivity and mission objective choices--has not been encountered until the most recent rover missions (MSL, the (now-cancelled) joint NASA-ESA 2018 Mars rover, and the proposed rover for Mars 2020). Since MSL had a single control center and sun-synchronous relay assets (like MER), estimates of productivity derived from MER prime and extended missions were used. However, Mars 2018's anticipated complexity (there would have been control centers in California and Italy, and a non-sun-synchronous relay asset) required the development of an explicit model of operations efficiency that could handle these complexities. In the case of the proposed Mars 2018 mission, the model was employed to assess the mission return of competing operations concepts, and as an input to component lifetime requirements. In this paper we provide examples of how to calculate the operations efficiency factor for a given operational configuration, and how to apply the factors to surface mission scenarios. This model can be applied to future missions to enable early effective trades between operations design, science mission

Structure Formation in Complex Plasma - Quantum Effects in Cryogenic Complex Plasmas

Science.gov (United States)

2014-09-26

strings. Analytical perturbation study supports the findings of numerical simulations. (Paper #2) Theory In a cryogenic plasma Debye length becomes...the Debye length , while ions are trapped at a certain distance around a dust particle without hitting the surface. Negatively charged dust particles...glass tube of 100cm in length and 15cm in inner diameter. The tube is connected to the bellows at the left end. A stainless steel plate of 2mm in

Correlation and prediction of ion exchange equilibria on weak-acid resins by means of the surface complex formation model

International Nuclear Information System (INIS)

Horst, J.

1988-11-01

The present work summarizes investigations of the equilibrium of the exchange of protons, copper, zinc, calcium, magnesium and sodium ions on two weak-acid exchange resins in hydrochloric and carbonic acid bearing solutions at 25 0 C. The description of the state of equilibrium between resin and solution is based on the individual chemical equilibria which have to be adjusted simultaneously. The equilibrium in the liquid phase is described by the mass action law and the condition of electroneutrality using activity coefficients calculated according to the theory of Debye and Hueckel. The exchange equilibria are described by means of a surface complex formation model, which was developed by Davis, James and Leckie for activated aluminia and which has been applied to weak-acid resins. The model concept assumes the resin as a plane surface in which the functional groups are distributed uniformly. (orig./RB) [de

Sheet beam model for intense space charge: Application to Debye screening and the distribution of particle oscillation frequencies in a thermal equilibrium beam

Directory of Open Access Journals (Sweden)

Steven M. Lund

2011-05-01

Full Text Available A one-dimensional Vlasov-Poisson model for sheet beams is reviewed and extended to provide a simple framework for analysis of space-charge effects. Centroid and rms envelope equations including image-charge effects are derived and reasonable parameter equivalences with commonly employed 2D transverse models of unbunched beams are established. This sheet-beam model is then applied to analyze several problems of fundamental interest. A sheet-beam thermal equilibrium distribution in a continuous focusing channel is constructed and shown to have analogous properties to two- and three-dimensional thermal equilibrium models in terms of the equilibrium structure and Debye screening properties. The simpler formulation for sheet beams is exploited to explicitly calculate the distribution of particle oscillation frequencies within a thermal equilibrium beam. It is shown that as space-charge intensity increases, the frequency distribution becomes broad, suggesting that beams with strong space-charge can have improved stability relative to beams with weak space-charge.

Limonene inhibits streptococcal biofilm formation by targeting surface-associated virulence factors.

Science.gov (United States)

Subramenium, Ganapathy Ashwinkumar; Vijayakumar, Karuppiah; Pandian, Shunmugiah Karutha

2015-08-01

The present study explores the efficacy of limonene, a cyclic terpene found in the rind of citrus fruits, for antibiofilm potential against species of the genus Streptococcus, which have been deeply studied worldwide owing to their multiple pathogenic efficacy. Limonene showed a concentration-dependent reduction in the biofilm formation of Streptococcus pyogenes (SF370), with minimal biofilm inhibitory concentration (MBIC) of 400 μg ml - 1. Limonene was found to possess about 75-95 % antibiofilm activity against all the pathogens tested, viz. Streptococcus pyogenes (SF370 and 5 clinical isolates), Streptococcus mutans (UA159) and Streptococcus mitis (ATCC 6249) at 400 μg ml - 1 concentration. Microscopic analysis of biofilm architecture revealed a quantitative breach in biofilm formation. Results of a surface-coating assay suggested that the possible mode of action of limonene could be by inhibiting bacterial adhesion to surfaces, thereby preventing the biofilm formation cascade. Susceptibility of limonene-treated Streptococcus pyogenes to healthy human blood goes in unison with gene expression studies in which the mga gene was found to be downregulated. Anti-cariogenic efficacy of limonene against Streptococcus mutans was confirmed, with inhibition of acid production and downregulation of the vicR gene. Downregulation of the covR, mga and vicR genes, which play a critical role in regulating surface-associated proteins in Streptococcus pyogenes and Streptococcus mutans, respectively, is yet further evidence to show that limonene targets surface-associated proteins. The results of physiological assays and gene expression studies clearly show that the surface-associated antagonistic mechanism of limonene also reduces surface-mediated virulence factors.

Efficient computer program EPAS-J1 for calculating stress intensity factors of three-dimensional surface cracks

International Nuclear Information System (INIS)

Miyazaki, Noriyuki; Watanabe, Takayuki; Yagawa, Genki.

1982-03-01

A finite element computer program EPAS-J1 was developed to calculate the stress intensity factors of three-dimensional cracks. In the program, the stress intensity factor is determined by the virtual crack extension method together with the distorted elements allocated along the crack front. This program also includes the connection elements based on the Lagrange multiplier concept to connect such different kinds of elements as the solid and shell elements, or the shell and beam elements. For the structure including three-dimensional surface cracks, the solid elements are employed only at the neighborhood of a surface crack, while the remainder of the structure is modeled by the shell or beam elements due to the reason that the crack singularity is very local. Computer storage and computational time can be highly reduced with the application of the above modeling technique for the calculation of the stress intensity factors of the three-dimensional surface cracks, because the three-dimensional solid elements are required only around the crack front. Several numerical analyses were performed by the EPAS-J1 program. At first, the accuracies of the connection element and the virtual crack extension method were confirmed using the simple structures. Compared with other techniques of connecting different kinds of elements such as the tying method or the method using anisotropic plate element, the present connection element is found to provide better results than the others. It is also found that the virtual crack extension method provides the accurate stress intensity factor. Furthermore, the results are also presented for the stress intensity factor analyses of cylinders with longitudinal or circumferential surface cracks using the combination of the various kinds of elements together with the connection elements. (author)

Analysis of radiation pressure force exerted on a biological cell induced by high-order Bessel beams using Debye series

International Nuclear Information System (INIS)

Li, Renxian; Ren, Kuan Fang; Han, Xiang'e; Wu, Zhensen; Guo, Lixin; Gong, Shuxi

2013-01-01

Debye series expansion (DSE) is employed to the analysis of radiation pressure force (RPF) exerted on biological cells induced by high-order Bessel beams (BB). The beam shape coefficients (BSCs) for high-order Bessel beams are calculated using analytical expressions obtained by the integral localized approximation (ILA). Different types of cells, including a real Chinese Hamster Ovary (CHO) cell and a lymphocyte which are respectively modeled by a coated and five-layered sphere, are considered. The RPF induced by high-order Bessel beams is compared with that by Gaussian beams and zeroth-order Bessel beams, and the effect of different scattering processes on RPF is studied. Numerical calculations show that high-order Bessel beams with zero central intensity can also transversely trap particle in the beam center, and some scattering processes can provide longitudinal pulling force. -- Highlights: ► BSCs for high-order Bessel beam (HOBB) is derived using ILA. ► DSE is employed to study the RPF induced by HOBB exerted on multilayered cells. ► RPF is decided by radius relative to the interval of peaks in intensity profile. ► HOBB can also transversely trap high-index particle in the vicinity of beam axis. ► RPF for some scattering processes can longitudinally pull particles back

Neutron- and light-scattering studies of the liquid-to-glass and glass-to-glass transitions in dense copolymer micellar solutions

International Nuclear Information System (INIS)

Chen Weiren; Chen Sowhsin; Mallamace, Francesco; Glinka, Charles J.; Fratini, Emiliano

2003-01-01

Recent mode coupling theory (MCT) calculations show that if a short-range attractive interaction is added to the pure hard sphere system, one may observe a new type of glass originating from the clustering effect (the attractive glass) as a result of the attractive interaction. This is in addition to the known glass-forming mechanism due to the cage effect in the hard sphere system (the repulsive glass). The calculations also indicate that if the range of attraction is sufficiently short compared to the diameter of the particle, within a certain interval of volume fractions where the two glass-forming mechanisms nearly balance each other, varying the external control parameter, the effective temperature, makes the glass-to-liquid-to-glass reentrance and the glass-to-glass transitions possible. Here we present experimental evidence of both transitions, obtained from small-angle neutron-scattering and photon correlation measurements taken from dense L64 copolymer micellar solutions in heavy water. Varying the temperature in certain predicted volume fraction range triggers a sharp transition between these two different types of glass. In particular, according to MCT, there is an end point (called A 3 singularity) of this glass-to-glass transition line, beyond which the long-time dynamics of the two glasses become identical. Our findings confirm this theoretical prediction. Surprisingly, although the Debye-Waller factors, the long-time limit of the coherent intermediate scattering functions, of these two glasses obtained from photon correlation measurements indeed become identical at the predicted volume fraction, they exhibit distinctly different intermediate time relaxation. Furthermore, our experimental results obtained from volume fractions beyond the end point are characterized by the same features as the repulsive glass obtained before the end point. A complete phase diagram giving the boundaries of the structural arrest transitions for L64 micellar system is

Inelastic scattering in condensed matter with high intensity Moessbauer radiation

International Nuclear Information System (INIS)

Yelon, W.B.; Schupp, G.

1990-10-01

We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS 2 , which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support

Gamma scattering in condensed matter with high intensity Moessbauer radiation

International Nuclear Information System (INIS)

1990-01-01

We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as a facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS 2 , which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support

Inelastic scattering in condensed matter with high intensity moessbauer radiation

International Nuclear Information System (INIS)

Yelon, W.B.; Schupp, G.

1991-05-01

We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is not fully operational at the University of Missouri Research Reactor (MURR) as well as a facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using Bragg scattering filters to suppress unwanted radiation. These have led to a Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to make a novel independent determination of interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na metal and the charge density wave satellite reflection Debye-Waller factor in TaS 2 , which indicate phason rather than phonon behavior. Using a specially constructed sample cell which enables us to vary temperatures from -10 C to 110 C, we have begun quasielastic diffusion studies in viscous liquids and current results are summarized. Included are the temperature and Q dependence of the scattering in pentadecane and diffusion in glycerol

Universal divergenceless scaling between structural relaxation and caged dynamics in glass-forming systems.

Science.gov (United States)

Ottochian, A; De Michele, C; Leporini, D

2009-12-14

On approaching the glass transition, the microscopic kinetic unit spends increasing time rattling in the cage of the first neighbors, whereas its average escape time, the structural relaxation time tau(alpha), increases from a few picoseconds up to thousands of seconds. A thorough study of the correlation between tau(alpha) and the rattling amplitude, expressed by the Debye-Waller factor, was carried out. Molecular-dynamics simulations of both a model polymer system and a binary mixture were performed by varying the temperature, the density rho, the potential and the polymer length to consider the structural relaxation as well as both the rotational and the translation diffusion. The present simulations, together with MD studies on other glassformers, evidence the scaling between the structural relaxation and the caged dynamics. An analytic model of the master curve is developed in terms of two characteristic length scales a(2) (1/2) and sigma(a(2) ) (1/2), pertaining to the distance to be covered by the kinetic unit to reach a transition state. The model does not imply tau(alpha) divergences. The comparison with the experiments supports the numerical evidence over a range of relaxation times as wide as about eighteen orders of magnitude. A comparison with other scaling and correlation procedures is presented. In particular, the density scaling of the length scales a(2) (1/2), sigma(a(2) ) (1/2) proportional to rho(-1/3) is shown to be not supported by the present simulations. The study suggests that the equilibrium and the moderately supercooled states of the glassformers possess key information on the huge slowing-down of their relaxation close to the glass transition. The latter, according to the present simulations, exhibits features consistent with the Lindemann melting criterion and the free-volume model.

A unified description of crystalline-to-amorphous transitions

Energy Technology Data Exchange (ETDEWEB)

Lam, N.Q.; Okamoto, P.R. [Argonne National Lab., IL (United States); Devanathan, R. [Argonne National Lab., IL (United States)]|[Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Meshii, M. [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering

1993-07-01

Amorphous metallic alloys can now be synthesized by a variety of solid-state processes demonstrating the need for a more general approach to crystalline-to-amorphous (c-a) transitions. By focusing on static atomic displacements as a measure of chemical and topological disorder, we show that a unified description of c-a transformations can be based on a generalization of the phenomenological melting criterion proposed by Lindemann. The generalized version assumes that melting of a defective crystal occurs whenever the sum of thermal and static mean-square displacements exceeds a critical value identical to that for melting of the defect-free crystal. This implies that chemical or topological disorder measured by static displacements is thermodynamically equivalent to heating, and therefore that the melting temperature of the defective crystal will decrease with increasing amount of disorder. This in turn implies the existence of a critical state of disorder where the melting temperature becomes equal to a glass-transition temperature below which the metastable crystal melts to a glass. The generalized Lindemann melting criterion leads naturally to an interpretation of c-a transformations as defect-induced, low-temperature melting of critically disordered crystals. Confirmation of this criterion is provided by molecular-dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds caused either by the production of Frenkel pairs or anti-site defects. The thermodynamic equivalence between static atomic disorder and heating is reflected in the identical softening effects which they have on elastic properties and also in the diffraction analysis of diffuse scattering from disordered crystals, where the effect of static displacements appears as an artificially-enlarged thermal Debye-Waller factor. Predictions of this new, unified approach to melting and amorphization are compared with available experimental information.

Electron dose-rate conversion factors for external exposure of the skin from uniformly deposited activity on the body surface

International Nuclear Information System (INIS)

Kocher, D.C.; Eckerman, K.F.

1987-01-01

Dose-rate conversion factors have been calculated for external exposure of the skin from electrons emitted by sources that are deposited uniformly on the body surface. The dose-rate factors are obtained from electron scaled point kernels developed by Berger. The dose-rate factors are calculated at depths of 4, 8, and 40 mg cm-2 below the body surface as recommended by Whitton, and at a depth of 7 mg cm-2 as recommended in ICRP Publication 26 (ICRP77). The dependence of the dose-rate factors at selected depths on the energy of the emitted electrons is displayed. The dose-rate factors for selected radionuclides of potential importance in radiological assessments are tabulated

Comparisons of American, Israeli, Italian and Mexican physicians and nurses on the total and factor scores of the Jefferson scale of attitudes toward physician-nurse collaborative relationships.

Science.gov (United States)

Hojat, Mohammadreza; Gonnella, Joseph S; Nasca, Thomas J; Fields, Sylvia K; Cicchetti, Americo; Lo Scalzo, Alessandra; Taroni, Francesco; Amicosante, Anna Maria Vincenza; Macinati, Manuela; Tangucci, Massimo; Liva, Carlo; Ricciardi, Gualtiero; Eidelman, Shmuel; Admi, Hanna; Geva, Hana; Mashiach, Tanya; Alroy, Gideon; Alcorta-Gonzalez, Adelina; Ibarra, David; Torres-Ruiz, Antonio

2003-05-01

This cross-cultural study was designed to compare the attitudes of physicians and nurses toward physician-nurse collaboration in the United States, Israel, Italy and Mexico. Total participants were 2522 physicians and nurses who completed the Jefferson Scale of Attitudes Toward Physician-Nurse Collaboration (15 Likert-type items, (Hojat et al., Evaluation and the Health Professions 22 (1999a) 208; Nursing Research 50 (2001) 123). They were compared on the total scores and four factors of the Jefferson Scale (shared education and team work, caring as opposed to curing, nurses, autonomy, physicians' dominance). Results showed inter- and intra-cultural similarities and differences among the study groups providing support for the social role theory (Hardy and Conway, Role Theory: Perspectives for Health Professionals, Appelton-Century-Crofts, New York, 1978) and the principle of least interest (Waller and Hill, The Family: A Dynamic Interpretation, Dryden, New York, 1951) in inter-professional relationships. Implications for promoting physician-nurse education and inter-professional collaboration are discussed.

Understanding and exploiting nanoscale surface heterogeneity for particle and cell manipulation

Science.gov (United States)

Kalasin, Surachate

surface region sufficiently attractive for capture. Though neglecting hydrodynamics, the resulting (kappa-1a)1/2 power law scaling for the density of patches at the adhesion threshold roughly captures the general shape of the data. The study also reveals that at high ionic strength, particle-surface interactions are most influenced by the patchy surface heterogeneity; however, at low ionic strengths, the system becomes most sensitive to the average system properties. Thus for heterogeneous interfaces, the extent to which heterogeneity is influential depends on other factors (particle size, ionic strength). While this comprises a crossover from heterogeneity-dominated to mean field behavior, it is worth noting that even in the mean field regime, the spacing between patches always exceeds the Debye length, making the regions of different surface charge always distinct. Comparison with the simulations of Duffadar and Davis reveals that the criterion for particle capture is a nearly constant number of cationic patches per unit area of contact between a particle and a heterogeneous collector. The heterogeneous surface model displays a shear crossover seen with bacteria and other complex systems: At low shear, particle capture is enhanced, while at higher shears it is reduced. This behavior, sometimes rationalized in terms of the complex energy landscapes of biological bonds, is clearly explained in the heterogeneity model. For weakly adhesive systems engaging only a few adhesive elements or receptors, shear compromises the ability of a few bonds to capture particles. For more strongly adhesive systems, shear increases particle transport. The convolution of this competition leads to the non-monotonic effect of shear seen in biology. The complex variety of particle behaviors combined with the large number of independently variable parameters, each with different scaling of interfacial forces, necessitates a state-space approach to mapping regimes interactions and motion

Effect of surface potential and intrinsic magnetic field on resistance of a body in a supersonic flow of rarefied partially ionized gas

International Nuclear Information System (INIS)

Shuvalov, V.A.

1986-01-01

The character of flow over a body, structure of the perturbed zone, and flow resistance in a supersonic flow of rarefied partially ionized gas are determined by the intrinsic magnetic field and surface potential of the body. There have been practically no experimental studies of the effect of intrinsic magnetic field on flow of a rarefied plasma. Studies of the effect of surface potential have been limited to the case R/λd 10 2 (where R is the characteristic dimension of the body and λd is the Debye radius). At the same time R/λd > 10 2 , the regime of flow over a large body, is of the greatest practical interest. The present study will consider the effect of potential and intrinsic magnetic field on resistance of a large (R/λd > 10 2 ) axisymmetric body (disk, sphere) in a supersonic flow of rarefield partially ionized gas

Nonlinear charge reduction effect in strongly coupled plasmas

International Nuclear Information System (INIS)

Sarmah, D; Tessarotto, M; Salimullah, M

2006-01-01

The charge reduction effect, produced by the nonlinear Debye screening of high-Z charges occurring in strongly coupled plasmas, is investigated. An analytic asymptotic expression is obtained for the charge reduction factor (f c ) which determines the Debye-Hueckel potential generated by a charged test particle. Its relevant parametric dependencies are analysed and shown to predict a strong charge reduction effect in strongly coupled plasmas

Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

Energy Technology Data Exchange (ETDEWEB)

Xia, Sihao [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Liu, Lei, E-mail: liu1133_cn@sina.com.cn [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Kong, Yike [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Wang, Honggang; Wang, Meishan [School of Information and Electrical Engineering, Ludong University, Yantai 264025 (China)

2016-11-30

Highlights: • B{sub N} is the most stable adsorption site. • Work function is reduced after Cs adsorption. • Surface atomic structures are reconstructed. • Surface states near fermi level is contributed to the hybridization of Cs 5s state with Ga 4p and N 2p state. • NEA surface is demonstrated after Cs adsorption on GaN nanowire surface. - Abstract: Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is B{sub N} because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued −6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

International Nuclear Information System (INIS)

Xia, Sihao; Liu, Lei; Kong, Yike; Wang, Honggang; Wang, Meishan

2016-01-01

Highlights: • B N is the most stable adsorption site. • Work function is reduced after Cs adsorption. • Surface atomic structures are reconstructed. • Surface states near fermi level is contributed to the hybridization of Cs 5s state with Ga 4p and N 2p state. • NEA surface is demonstrated after Cs adsorption on GaN nanowire surface. - Abstract: Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is B N because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued −6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

Factors influencing surface roughness of polyimide film

International Nuclear Information System (INIS)

Yao Hong; Zhang Zhanwen; Huang Yong; Li Bo; Li Sai

2011-01-01

The polyimide (PI) films of pyromellitic dianhydride-oxydiamiline (PMDA-ODA) were fabricated using vapor deposition polymerization (VDP) method under high vacuum pressure of 10-4 Pa level. The influence of equipment, substrate temperature, the process of heating and deposition ratio of monomers on the surface roughness of the PI films was investigated. The surface topography of films was measured by interferometer microscopy and scanning electron microscopy(SEM), and the surface roughness was probed with atomic force microscopy(AFM). The results show that consecutive films can be formed when the distance from steering flow pipe to substrate is 74 cm. The surface roughnesses are 291.2 nm and 61.9 nm respectively for one-step heating process and multi-step heating process, and using fine mesh can effectively avoid the splash of materials. The surface roughness can be 3.3 nm when the deposition rate ratio of PMDA to ODA is 0.9:1, and keeping the temperature of substrate around 30 degree C is advantageous to form a film with planar micro-surface topography. (authors)

The effect of surface morphology on the response of Fe{sub 2}O{sub 3}-loaded vanadium oxide nanotubes gas sensor

Energy Technology Data Exchange (ETDEWEB)

Jin Wei [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Chen Wen, E-mail: chenw@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Li Yue; Zhao Chunxia; Dai Ying [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China)

2011-06-01

The effect of surface morphology on the response of an ethanol sensor based on vanadium nanotubes surface loaded with Fe{sub 2}O{sub 3} nanoparticles (Fe{sub 2}O{sub 3}/VONTs) was investigated in this work. The particle size of Fe{sub 2}O{sub 3} loaded on VONTs was varied by using novel citric acid-assisted hydrothermal method. In the synthesis progress, citric acid was used as a surfactant and chelate agent, which ensured the growth of a uniform Fe{sub 2}O{sub 3} loading on the nanotubes surface. The ethanol sensing properties was then measured for these Fe{sub 2}O{sub 3}/VONTs at 230-300 deg. C. The results showed that the sensor response increased with the particles size and the loading amount of Fe{sub 2}O{sub 3}. It appears that the load of Fe{sub 2}O{sub 3} on the VONTs surface increases the concentration of oxygen vacancies and decreases the concentration of free electrons. The effects of morphology on the sensor resistance were interpreted in terms of the Debye length and the difference in the number of active sites.

Basement to surface expressions and critical factors in the genesis of unconformity-related deposits

International Nuclear Information System (INIS)

Potter, Eric

2014-01-01

Two subprojects: 1) Basement to surface expressions of deep mineralization and refinement of critical factors leading to the genesis of unconformity-related uranium deposits; and 2) Recognition of uranium ore system alteration signatures in complex terranes: IOCG vs albite-hosted uranium vs volcanic-hosted uranium.

Dynamics of simple defect clusters in alkaline earth fluorides

International Nuclear Information System (INIS)

Haridasan, T.M.; Sekar, P.

1988-08-01

The effect of isolated F - vacancies and interstitials on the Dobye Waller Factors of their neighbours is studied. The perturbation due to the introduction of the defect is calculated using the scattering theory. The critical jump amplitude in the diffusion process is fitted to reproduce the experimental migration energy. The diffusion coefficient for the vacancy mechanism is estimated to be larger than that for the interstitialcy mechanism in the superionic region. (author). 21 refs, 8 figs, 2 tabs

Phonon-mediated decay of an atom in a surface-induced potential

International Nuclear Information System (INIS)

Kien, Fam Le; Hakuta, K.; Dutta Gupta, S.

2007-01-01

We study phonon-mediated transitions between translational levels of an atom in a surface-induced potential. We present a general master equation governing the dynamics of the translational states of the atom. In the framework of the Debye model, we derive compact expressions for the rates for both upward and downward transitions. Numerical calculations for the transition rates are performed for a deep silica-induced potential allowing for a large number of bound levels as well as free states of a cesium atom. The total absorption rate is shown to be determined mainly by the bound-to-bound transitions for deep bound levels and by bound-to-free transitions for shallow bound levels. Moreover, the phonon emission and absorption processes can be orders of magnitude larger for deep bound levels as compared to the shallow bound ones. We also study various types of transitions from free states. We show that, for thermal atomic cesium with a temperature in the range from 100 μK to 400 μK in the vicinity of a silica surface with a temperature of 300 K, the adsorption (free-to-bound decay) rate is about two times larger than the heating (free-to-free upward decay) rate, while the cooling (free-to-free downward decay) rate is negligible

Propagation of a plasma streamer in catalyst pores

Science.gov (United States)

Zhang, Quan-Zhi; Bogaerts, Annemie

2018-03-01

Although plasma catalysis is gaining increasing interest for various environmental applications, the underlying mechanisms are still far from understood. For instance, it is not yet clear whether and how plasma streamers can propagate in catalyst pores, and what is the minimum pore size to make this happen. As this is crucial information to ensure good plasma-catalyst interaction, we study here the mechanism of plasma streamer propagation in a catalyst pore, by means of a two-dimensional particle-in-cell/Monte Carlo collision model, for various pore diameters in the nm-range to μm-range. The so-called Debye length is an important criterion for plasma penetration into catalyst pores, i.e. a plasma streamer can penetrate into pores when their diameter is larger than the Debye length. The Debye length is typically in the order of a few 100 nm up to 1 μm at the conditions under study, depending on electron density and temperature in the plasma streamer. For pores in the range of ∼50 nm, plasma can thus only penetrate to some extent and at very short times, i.e. at the beginning of a micro-discharge, before the actual plasma streamer reaches the catalyst surface and a sheath is formed in front of the surface. We can make plasma streamers penetrate into smaller pores (down to ca. 500 nm at the conditions under study) by increasing the applied voltage, which yields a higher plasma density, and thus reduces the Debye length. Our simulations also reveal that the plasma streamers induce surface charging of the catalyst pore sidewalls, causing discharge enhancement inside the pore, depending on pore diameter and depth.

Plasma Rich in Growth Factors for the Treatment of Ocular Surface Diseases.

Science.gov (United States)

Anitua, Eduardo; Muruzabal, Francisco; de la Fuente, María; Merayo, Jesús; Durán, Juan; Orive, Gorka

2016-07-01

The purpose of this work is to describe and review the technology of plasma rich in growth factors (PRGF), a novel blood derivative product, in the treatment of ocular surface disorders. To demonstrate the importance of this technology in the treatment of ocular pathologies, a thorough review of the preclinical and clinical literature results obtained following use of the different therapeutic formulations of PRGF was carried out. A literature search for applications of PGRF plasma in the ophthalmology field was carried out using the PubMed database. PRGF involves the use of patient's own biologically active proteins, growth factors, and biomaterial scaffolds for therapeutic purposes. This procedural technology is gaining interest in regenerative medicine due to its potential to stimulate and accelerate the tissue healing processes. The versatility and biocompatibility of this technology opens the door to a personalized medicine on ocular tissue regeneration. This review discusses the state of the art of the new treatments and technologies developed to promote ocular surface tissue regeneration. The standardized protocol that has been developed to source eye drops from PRGF technology is also described. The preclinical research, together with the most relevant clinical applications are summarized and discussed. The preliminary results suggest that the use of PRGF to enhance ocular tissue regeneration is safe and efficient.

Effect of extracytoplasmic function sigma factors on autoaggregation, hemagglutination, and cell surface properties of Porphyromonas gingivalis

Science.gov (United States)

Kokubu, Eitoyo; Okamoto-Shibayama, Kazuko; Ishihara, Kazuyuki

2017-01-01

Porphyromonas gingivalis is a bacterium frequently isolated from chronic periodontal lesions and is involved in the development of chronic periodontitis. To colonize the gingival crevice, P. gingivalis has to adapt to environmental stresses. Microbial gene expression is regulated by transcription factors such as those in two-component systems and extracytoplasmic function (ECF) sigma factors. ECF sigma factors are involved in the regulation of environmental stress response genes; however, the roles of individual ECF sigma factors are largely unknown. The purpose of this study was to investigate the functions, including autoaggregation, hemagglutination, gingipain activity, susceptibility to antimicrobial agents, and surface structure formation, of P. gingivalis ECF sigma factors encoded by SigP (PGN_0274), SigCH (PGN_0319), PGN_0450, PGN_0970, and SigH (PGN_1740). Various physiological aspects of the sigP mutant were affected; autoaggregation was significantly decreased at 60 min (p < 0.001), hemagglutination activity was markedly reduced, and enzymatic activities of Kgp and Rgps were significantly decreased (p < 0.001). The other mutants also showed approximately 50% reduction in Rgps activity. Kgp activity was significantly reduced in the sigH mutant (p < 0.001). No significant differences in susceptibilities to tetracycline and ofloxacin were observed in the mutants compared to those of the wild-type strain. However, the sigP mutant displayed an increased susceptibility to ampicillin, whereas the PGN_0450 and sigH mutants showed reduced susceptibility. Transmission electron microscopy images revealed increased levels of outer membrane vesicles formed at the cell surfaces of the sigP mutant. These results indicate that SigP is important for bacterial surface-associated activities, including gingipain activity, autoaggregation, hemagglutination, vesicle formation, and antimicrobial susceptibility. PMID:28931045

Analysis of factors controlling soil phosphorus loss with surface runoff in Huihe National Nature Reserve by principal component and path analysis methods.

Science.gov (United States)

He, Jing; Su, Derong; Lv, Shihai; Diao, Zhaoyan; Bu, He; Wo, Qiang

2018-01-01

Phosphorus (P) loss with surface runoff accounts for the P input to and acceleration of eutrophication of the freshwater. Many studies have focused on factors affecting P loss with surface runoff from soils, but rarely on the relationship among these factors. In the present study, rainfall simulation on P loss with surface runoff was conducted in Huihe National Nature Reserve, in Hulunbeier grassland, China, and the relationships between P loss with surface runoff, soil properties, and rainfall conditions were examined. Principal component analysis and path analysis were used to analyze the direct and indirect effects on P loss with surface runoff. The results showed that P loss with surface runoff was closely correlated with soil electrical conductivity, soil pH, soil Olsen P, soil total nitrogen (TN), soil total phosphorus (TP), and soil organic carbon (SOC). The main driving factors which influenced P loss with surface runoff were soil TN, soil pH, soil Olsen P, and soil water content. Path analysis and determination coefficient analysis indicated that the standard multiple regression equation for P loss with surface runoff and each main factor was Y = 7.429 - 0.439 soil TN - 6.834 soil pH + 1.721 soil Olsen-P + 0.183 soil water content (r = 0.487, p runoff. The effect of physical and chemical properties of undisturbed soils on P loss with surface runoff was discussed, and the soil water content and soil Olsen P were strongly positive influences on the P loss with surface runoff.

Root caries, root surface restorations and lifestyle factors in adult Danes

DEFF Research Database (Denmark)

Christensen, Lisa Bøge; Bardow, Allan; Ekstrand, Kim

2015-01-01

, tobacco use and oral hygiene routines were collected from 4369 adults aged 21-89 who took part in a survey covering 13 municipalities across Denmark. Uni- and multivariate logistic regression analyses were applied to analyse the relationship between the independent lifestyle variables and active caries...... consumption, as well as wearing dentures, were significantly associated with the occurrence of untreated caries and restored root surface lesions, especially in persons over 45. Thus, such lifestyle factors should be taken into consideration, identifying persons with a need of preventive dental services...

Porphyromonas gingivalis Uses Specific Domain Rearrangements and Allelic Exchange to Generate Diversity in Surface Virulence Factors.

Science.gov (United States)

Dashper, Stuart G; Mitchell, Helen L; Seers, Christine A; Gladman, Simon L; Seemann, Torsten; Bulach, Dieter M; Chandry, P Scott; Cross, Keith J; Cleal, Steven M; Reynolds, Eric C

2017-01-01

Porphyromonas gingivalis is a keystone pathogen of chronic periodontitis. The virulence of P. gingivalis is reported to be strain related and there are currently a number of strain typing schemes based on variation in capsular polysaccharide, the major and minor fimbriae and adhesin domains of Lys-gingipain (Kgp), amongst other surface proteins. P. gingivalis can exchange chromosomal DNA between strains by natural competence and conjugation. The aim of this study was to determine the genetic variability of P. gingivalis strains sourced from international locations over a 25-year period and to determine if variability in surface virulence factors has a phylogenetic basis. Whole genome sequencing was performed on 13 strains and comparison made to 10 previously sequenced strains. A single nucleotide polymorphism-based phylogenetic analysis demonstrated a shallow tri-lobed phylogeny. There was a high level of reticulation in the phylogenetic network, demonstrating extensive horizontal gene transfer between the strains. Two highly conserved variants of the catalytic domain of the major virulence factor the Kgp proteinase (Kgp cat I and Kgp cat II) were found. There were three variants of the fourth Kgp C-terminal cleaved adhesin domain. Specific variants of the cell surface proteins FimA, FimCDE, MfaI, RagAB, Tpr, and PrtT were also identified. The occurrence of all these variants in the P. gingivalis strains formed a mosaic that was not related to the SNP-based phylogeny. In conclusion P. gingivalis uses domain rearrangements and genetic exchange to generate diversity in specific surface virulence factors.

The Path to High Q-Factors in Superconducting Accelerating Cavities: Flux Expulsion and Surface Resistance Optimization

Energy Technology Data Exchange (ETDEWEB)

Martinello, Martina [Illinois Inst. of Technology, Chicago, IL (United States)

2016-12-01

Accelerating cavities are devices resonating in the radio-frequency (RF) range used to accelerate charged particles in accelerators. Superconducting accelerating cavities are made out of niobium and operate at the liquid helium temperature. Even if superconducting, these resonating structures have some RF driven surface resistance that causes power dissipation. In order to decrease as much as possible the power losses, the cavity quality factor must be increased by decreasing the surface resistance. In this dissertation, the RF surface resistance is analyzed for a large variety of cavities made with different state-of-the-art surface treatments, with the goal of finding the surface treatment capable to return the highest Q-factor values in a cryomodule-like environment. This study analyzes not only the superconducting properties described by the BCS surface resistance, which is the contribution that takes into account dissipation due to quasi-particle excitations, but also the increasing of the surface resistance due to trapped flux. When cavities are cooled down below their critical temperature inside a cryomodule, there is always some remnant magnetic field that may be trapped increasing the global RF surface resistance. This thesis also analyzes how the fraction of external magnetic field, which is actually trapped in the cavity during the cooldown, can be minimized. This study is performed on an elliptical single-cell horizontally cooled cavity, resembling the geometry of cavities cooled in accelerator cryomodules. The horizontal cooldown study reveals that, as in case of the vertical cooldown, when the cooling is performed fast, large thermal gradients are created along the cavity helping magnetic flux expulsion. However, for this geometry the complete magnetic flux expulsion from the cavity equator is more difficult to achieve. This becomes even more challenging in presence of orthogonal magnetic field, that is easily trapped on top of the cavity equator

The path to high Q-factors in superconducting accelerating cavities: Flux expulsion and surface resistance optimization

Science.gov (United States)

Martinello, Martina

Accelerating cavities are devices resonating in the radio-frequency (RF) range used to accelerate charged particles in accelerators. Superconducting accelerating cavities are made out of niobium and operate at the liquid helium temperature. Even if superconducting, these resonating structures have some RF driven surface resistance that causes power dissipation. In order to decrease as much as possible the power losses, the cavity quality factor must be increased by decreasing the surface resistance. In this dissertation, the RF surface resistance is analyzed for a large variety of cavities made with different state-of-the-art surface treatments, with the goal of finding the surface treatment capable to return the highest Q-factor values in a cryomodule-like environment. This study analyzes not only the superconducting properties described by the BCS surface resistance, which is the contribution that takes into account dissipation due to quasi-particle excitations, but also the increasing of the surface resistance due to trapped flux. When cavities are cooled down below their critical temperature inside a cryomodule, there is always some remnant magnetic field that may be trapped increasing the global RF surface resistance. This thesis also analyzes how the fraction of external magnetic field, which is actually trapped in the cavity during the cooldown, can be minimized. This study is performed on an elliptical single-cell horizontally cooled cavity, resembling the geometry of cavities cooled in accelerator cryomodules. The horizontal cooldown study reveals that, as in case of the vertical cooldown, when the cooling is performed fast, large thermal gradients are created along the cavity helping magnetic flux expulsion. However, for this geometry the complete magnetic flux expulsion from the cavity equator is more difficult to achieve. This becomes even more challenging in presence of orthogonal magnetic field, that is easily trapped on top of the cavity equator

Evaluation of stress intensity factor for craks in surface of tubes with internal pressure

International Nuclear Information System (INIS)

Cesari, F.; Hellen, T.K.

1977-01-01

In this report the authors have examined the different methods for calculation of the stress intensity factor in tubes subject at internal pressure with surface cracks. The analysis includes cracks in 2-D axialsymmetric and 3-D. Moreover the authors have clarified the difference between the ASME Sec.11 and the procedure more rigorous

A sensitive electrochemiluminescence cytosensor for quantitative evaluation of epidermal growth factor receptor expressed on cell surfaces

Energy Technology Data Exchange (ETDEWEB)

Tang, Yanjuan; Zhang, Shaolian; Wen, Qingqing; Huang, Hongxing; Yang, Peihui, E-mail: typh@jnu.edu.cn

2015-06-30

Highlights: • EGF-cytosensor was used for evaluating EGFR expression level on cell surfaces. • CdSQDs and EGF were coated on magnetic beads (MBs) for ECL-probe. • Good sensitivity was achieved due to the signal amplification of ECL-probe. - Abstract: A sensitive electrochemiluminescence (ECL) strategy for evaluating the epidermal growth factor receptor (EGFR) expression level on cell surfaces was designed by integrating the specific recognition of EGFR expressed on MCF-7 cell surfaces with an epidermal growth factor (EGF)-funtionalized CdS quantum dots (CdSQDs)-capped magnetic bead (MB) probe. The high sensitivity of ECL probe of EGF-funtionalized CdSQD-capped-MB was used for competitive recognition with EGFR expressed on cell surfaces with recombinant EGFR protein. The changes of ECL intensity depended on both the cell number and the expression level of EGFR receptor on cell surfaces. A wide linear response to cells ranging from 80 to 4 × 10{sup 6} cells mL{sup −1} with a detection limit of 40 cells mL{sup −1} was obtained. The EGF-cytosensor was used to evaluate EGFR expression levels on MCF-7 cells, and the average number of EGFR receptor on single MCF-7 cells was 1.35 × 10{sup 5} with the relative standard deviation of 4.3%. This strategy was further used for in-situ and real-time evaluating EGFR receptor expressed on cell surfaces in response to drugs stimulation at different concentration and incubation time. The proposed method provided potential applications in the detection of receptors on cancer cells and anticancer drugs screening.

An experimental method to determine the electrostatic field enhancement factor of a practical conductor surface

DEFF Research Database (Denmark)

McAllister, Iain Wilson; Crichton, George C

1989-01-01

A method of determining the field enhancement factor of a practical conductor is presented. The method is developed from a modified theory of discharge onset in a gaseous medium. This modification incorporates the influence of conductor surface roughness. Onset data from an experimental study...

Polarized-x-ray-absorption studies of graphite intercalated-bromine compounds

International Nuclear Information System (INIS)

Feldman, J.L.; Elam, W.T.; Ehrlich, A.C.; Skelton, E.F.; Dominguez, D.D.; Chung, D.D.L.; Lytle, F.W.

1986-01-01

Details of both results and data analysis are given in the case of our polarized-x-ray-absorption experiments, using synchrotron radiation, on highly oriented pyrolytic graphite (HOPG)--based and graphite-fiber-based residual-bromine intercalation compounds. The effective angle which nearest-neighbor Br pairs make with crystallite graphite planes in some of these compounds, which was stated to be approx.20 0 in an earlier article, is shown to be 16X(de +- 4X(de: both Br-Br extended x-ray-absorption fine structure (EXAFS) and white-line features of the data are the basis of this result. We have also found that, whereas spherical averages of the areas under white-line spectra are independent of the choice of the material among all samples studied (including Br 2 vapor), differences in similarly spherically averaged Br-Br EXAFS amplitudes are evident, especially between Br 2 vapor and Br-graphite samples. We show that the latter differences which correspond to a coordination number less than one in Br-graphite are not due to either Gaussian or non-Gaussian (up to k 4 terms) Debye-Waller effects. In addition, we discuss the extraction of Br-C EXAFS and present results of model calculations of Br-C EXAFS, where several different structural models for the Br sites are considered. We also discuss thermal effects and their relation to known Br sublattice phase-transition behavior, based on our measurements at room temperature, 360 K, and 400 K

The interplay between surfaces and soluble factors define the immunologic and angiogenic properties of myeloid dendritic cells

Directory of Open Access Journals (Sweden)

Mansfield Kristen

2011-06-01

Full Text Available Abstract Background Dendritic cells (DCs are antigen presenting cells capable of inducing specific immune responses against microbial infections, transplant antigens, or tumors. Interestingly, microenvironment conditions such as those present in tumor settings might induce a DC phenotype that is poorly immunogenic and with the capability of promoting angiogenesis. We hypothesize that this plasticity may be caused not only by the action of specific cytokines or growth factors but also by the properties of the surfaces with which they interact, such as extracellular matrix (ECM components. Results Herewith we studied the effect of different surfaces and soluble factors on the biology of DCs. To accomplish this, we cultured murine myeloid(m DCs on surfaces coated with fibronectin, collagen I, gelatin, and Matrigel using poly-D-lysine and polystyrene as non-biological surfaces. Further, we cultured these cells in the presence of regular DC medium (RPMI 10% FBS or commercially available endothelial medium (EGM-2. We determined that mDCs could be kept in culture up to 3 weeks in these conditions, but only in the presence of GM-CSF. We were able to determine that long-term DC cultures produce an array of angiogenic factors, and that some of these cultures still retain the capability to induce T cell responses. Conclusions Altogether these data indicate that in order to design DC-based vaccines or treatments focused on changing the phenotype of DCs associated with diseases such as cancer or atherosclerosis, it becomes necessary to fully investigate the microenvironment in which these cells are present or will be delivered.

The use of simulated rainfall to study the discharge process and the influence factors of urban surface runoff pollution loads.

Science.gov (United States)

Qinqin, Li; Qiao, Chen; Jiancai, Deng; Weiping, Hu

2015-01-01

An understanding of the characteristics of pollutants on impervious surfaces is essential to estimate pollution loads and to design methods to minimize the impacts of pollutants on the environment. In this study, simulated rainfall equipment was constructed to investigate the pollutant discharge process and the influence factors of urban surface runoff (USR). The results indicated that concentrations of total suspended solids (TSS), total nitrogen (TN), total phosphorus (TP) and chemical oxygen demand (COD) appeared to be higher in the early period and then decreased gradually with rainfall duration until finally stabilized. The capacity and particle size of surface dust, rainfall intensity and urban surface slopes affected runoff pollution loads to a variable extent. The loads of TP, TN and COD showed a positive relationship with the surface dust capacity, whereas the maximum TSS load appeared when the surface dust was 0.0317 g·cm⁻². Smaller particle sizes (pollution carrying capacity of runoff, leading to higher pollution loads. Knowledge of the influence factors could assist in the management of USR pollution loads.

Tyres and road surfaces : experimental multifactor investigation of the factors affecting the brake and side way forces between car tyres and wet road surfaces : summary, conclusions and recommendations from the study by Sub-Committee I of the Working Group on "Tyres, Road Surfaces and Skidding Accidents".

NARCIS (Netherlands)

1976-01-01

The study concerning the contact between a tyre and the road surface was conducted in three phases. In the first phase the first and second-order factors were separated. The factors: type of road surface, tyre type, tread depth, water depth, tyre pressure and tyre load were included in an

Factors influencing the surface quality of polished tool steels

International Nuclear Information System (INIS)

Rebeggiani, S; Rosén, B-G

2014-01-01

Today’s demands on surface quality of moulds for injection moulding of plastic components involve no/low defect contents and roughness levels in the nm-range for high gloss applications. Material properties as well as operating conditions influence the mould finish, and thus the final surface of moulded products. This paper focuses on how particle content and different polishing strategies influence final surface qualities of moulds. Visual estimations of polished tool steel samples were combined with non-contact 3D-surface texture analysis in order to correlate traditional assessments to more quantitative methods, and to be able to analyse the surfaces at nanometre-level. It was found that steels with a lower proportion of particles, like carbides and oxides, gave rise to smoother polished surfaces. In a comparative study of polishers from different polishing shops, it was found that while different surface preparation strategies can lead to similar final roughness, similar preparation techniques can produce high-quality surfaces from different steel grades. However, the non-contact 3D-surface texture analysis showed that not all smooth polished surfaces have desirable functional topographies for injection moulding of glossy plastic components. (paper)

Factors affecting the wettability of different surface materials with vegetable oil at high temperatures and its relation to cleanability

DEFF Research Database (Denmark)

Ashokkumar, Saranya; Adler-Nissen, Jens; Møller, Per

2012-01-01

The main aim of the work was to investigate the wettability of different surface materials with vegetable oil (olive oil) over the temperature range of 25–200°C to understand the differences in cleanability of different surfaces exposed to high temperatures in food processes. The different surface...... different levels of roughness. The cosine of the contact angle of olive oil on different surface materials rises linearly with increasing temperature. Among the materials analyzed, polymers (PTFE, silicone) gave the lowest cosθ values. Studies of the effect of roughness and surface flaws on wettability...... contact angle and cleanability. In addition to surface wettability with oil many other factors such as roughness and surface defects play an essential role in determining their cleanability....

"small problems, Big Trouble": An Art and Science Collaborative Exhibition Reflecting Seemingly small problems Leading to Big Threats

Science.gov (United States)

Waller, J. L.; Brey, J. A.

2014-12-01

"small problems, Big Trouble" (spBT) is an exhibition of artist Judith Waller's paintings accompanied by text panels written by Earth scientist Dr. James A. Brey and several science researchers and educators. The text panels' message is as much the focus of the show as the art--true interdisciplinarity! Waller and Brey's history of art and earth science collaborations include the successful exhibition "Layers: Places in Peril". New in spBT is extended collaboration with other scientists in order to create awareness of geoscience and other subjects (i.e. soil, parasites, dust, pollutants, invasive species, carbon, ground water contaminants, solar wind) small in scale which pose significant threats. The paintings are the size of a mirror, a symbol suggesting the problems depicted are those we increasingly need to face, noting our collective reflections of shared current and future reality. Naturalistic rendering and abstract form in the art helps reach a broad audience including those familiar with art and those familiar with science. The goal is that gallery visitors gain greater appreciation and understanding of both—and of the sober content of the show as a whole. "small problems, Big Trouble" premiers in Wisconsin April, 2015. As in previous collaborations, Waller and Brey actively utilize art and science (specifically geoscience) as an educational vehicle for active student learning. Planned are interdisciplinary university and area high school activities linked through spBT. The exhibition in a public gallery offers a means to enhance community awareness of and action on scientific issues through art's power to engage people on an emotional level. This AGU presentation includes a description of past Waller and Brey activities: incorporating art and earth science in lab and studio classrooms, producing gallery and museum exhibitions and delivering workshops and other presentations. They also describe how walking the paths of several past earth science

Planar spatial correlations, anisotropy, and specific surface area of stationary random porous media

International Nuclear Information System (INIS)

Berryman, J.G.

1998-01-01

An earlier result of the author showed that an anisotropic spatial correlation function of a random porous medium could be used to compute the specific surface area when it is stationary as well as anisotropic by first performing a three-dimensional radial average and then taking the first derivative with respect to lag at the origin. This result generalized the earlier result for isotropic porous media of Debye et al. [J. Appl. Phys. 28, 679 (1957)]. The present article provides more detailed information about the use of spatial correlation functions for anisotropic porous media and in particular shows that, for stationary anisotropic media, the specific surface area can be related to the derivative of the two-dimensional radial average of the correlation function measured from cross sections taken through the anisotropic medium. The main concept is first illustrated using a simple pedagogical example for an anisotropic distribution of spherical voids. Then, a general derivation of formulas relating the derivative of the planar correlation functions to surface integrals is presented. When the surface normal is uniformly distributed (as is the case for any distribution of spherical voids), our formulas can be used to relate a specific surface area to easily measurable quantities from any single cross section. When the surface normal is not distributed uniformly (as would be the case for an oriented distribution of ellipsoidal voids), our results show how to obtain valid estimates of specific surface area by averaging measurements on three orthogonal cross sections. One important general observation for porous media is that the surface area from nearly flat cracks may be underestimated from measurements on orthogonal cross sections if any of the cross sections happen to lie in the plane of the cracks. This result is illustrated by taking the very small aspect ratio (penny-shaped crack) limit of an oblate spheroid, but holds for other types of flat surfaces as well

Raman spectroscopic determination of the length, strength, compressibility, Debye temperature, elasticity, and force constant of the C-C bond in graphene.

Science.gov (United States)

Yang, X X; Li, J W; Zhou, Z F; Wang, Y; Yang, L W; Zheng, W T; Sun, Chang Q

2012-01-21

From the perspective of bond relaxation and bond vibration, we have formulated the Raman phonon relaxation of graphene, under the stimuli of the number-of-layers, the uni-axial strain, the pressure, and the temperature, in terms of the response of the length and strength of the representative bond of the entire specimen to the applied stimuli. Theoretical unification of the measurements clarifies that: (i) the opposite trends of the Raman shifts, which are due to the number-of-layers reduction, of the G-peak shift and arises from the vibration of a pair of atoms, while the D- and the 2D-peak shifts involve the z-neighbor of a specific atom; (ii) the tensile strain-induced phonon softening and phonon-band splitting arise from the asymmetric response of the C(3v) bond geometry to the C(2v) uni-axial bond elongation; (iii) the thermal softening of the phonons originates from bond expansion and weakening; and (iv) the pressure stiffening of the phonons results from bond compression and work hardening. Reproduction of the measurements has led to quantitative information about the referential frequencies from which the Raman frequencies shift as well as the length, energy, force constant, Debye temperature, compressibility and elastic modulus of the C-C bond in graphene, which is of instrumental importance in the understanding of the unusual behavior of graphene.

Radius ratio rule for surface hydrophilization of polydimethyl siloxane and silica nanoparticle composite

Energy Technology Data Exchange (ETDEWEB)

Toutam, Vijaykumar, E-mail: toutamvk@nplindia.org [Quantum Phenomena and Applications Division, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Jain, Puneet; Sharma, Rina [Quantum Phenomena and Applications Division, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Bathula, Sivaiah; Dhar, Ajay [Material Physics and Engineering Division, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India)

2015-09-15

Graphical abstract: - Highlights: • Binary hard sphere silica nanoparticle system based PDMS composite. • Enhanced hydrophilization and retainability of the composite. • Restriction of uncured PDMS from diffusion. • Increased Debye length of electrostatic double layer, measured by F-D Spectroscopy. - Abstract: Polydimethyl siloxane (PDMS) and Silica (SiO{sub 2}) nanoparticle composite blocks of three different batches (CB1–CB3) made by varying the size of SiO{sub 2} nanoparticles (NP), are studied for the degree of hydrophilization and retainability after oxidation by contact angle measurements (CA) and force distance spectroscopy (FDS) using Atomic Force Microscope (AFM). While CA measurements have shown high hydrophilization and retainability for CB3, F-D spectroscopy has reiterated the observation and has shown long range interactive forces and high Debye length of the electrostatic double layer formed. These results are in agreement with the radius ratio rule of binary sphere system for high density packing in the composite and thereby for strong hydrophilization and retainability due to reinforcement and restricted diffusion of uncured polymer.

Structure of Microgels with Debye–Hückel Interactions

Directory of Open Access Journals (Sweden)

Hideki Kobayashi

2014-05-01

Full Text Available The structural properties of model microgel particles are investigated by molecular dynamics simulations applying a coarse-grained model. A microgel is comprised of a regular network of polymers internally connected by tetra-functional cross-links and with dangling ends at its surface. The self-avoiding polymers are modeled as bead-spring linear chains. Electrostatic interactions are taken into account by the Debye–Hückel potential. The microgels exhibit a quite uniform density under bad solvent conditions with a rather sharp surface. With increasing Debye length, structural inhomogeneities appear, their surface becomes fuzzy and, at very large Debye lengths, well defined again. Similarly, the polymer conformations change from a self-avoiding walk to a rod-like behavior. Thereby, the average polymer radius of gyration follows a scaling curve in terms of polymer length and persistence length, with an asymptotic rod-like behavior for swollen microgels and self-avoiding walk behavior for weakly swollen gel particles.

Peter Debye

Indian Academy of Sciences (India)

Hopefully, the new year will bring more good than our little faith allows us ... to such an extent that the Royal Academy of Sciences has awarded you the Nobel Prize ... ended in Europe in 1939, during the turmoil of the Second World War.

Determination of conversion factors and efficiency for GM detectors used in measurements of surface pollution

International Nuclear Information System (INIS)

Ayala G, J.; Alvarez R, J.T.

1999-01-01

One of the objectives of the Radiation protection, is to observe with the National and as International standardization referring to the ICRP dose limitation system (ICRP 26, ICRP 60). In this work it was treated the problem corresponding about how to determine the conversion factor of cpm/mR/h and the absolute efficiency ε, for a Geiger-Muller equipment with thin window. This equipment is used for the beta particle detection. Thus the correct use of calibration factors and the procedures to convert cpm in Bq is expedited and also to apply the ISO procedure for to evaluate contaminated surfaces. (Author)

Mass transfer of a neutral solute in porous microchannel under streaming potential.

Science.gov (United States)

Mondal, Sourav; De, Sirshendu

2014-03-01

The mass transport of a neutral solute in a porous wall, under the influence of streaming field, has been analyzed in this study. The effect of the induced streaming field on the electroviscous effect of the fluid for different flow geometries has been suitably quantified. The overall electroosmotic velocity profile and expression for streaming field have been obtained analytically using the Debye-Huckel approximation, and subsequently used in the analysis for the mass transport. The analysis shows that as the solution Debye length increases, the strength of the streaming field and, consequently, the electroviscous effect diminishes. The species transport equation has been coupled with Darcy's law for quantification of the permeation rate across the porous wall. The concentration profile inside the mass transfer boundary layer has been solved using the similarity transformation, and the Sherwood number has been calculated from the definition. In this study, the variation of the permeation rate and solute permeate concentration has been with the surface potential, wall retention factor and osmotic pressure coefficient has been demonstrated for both the circular as well as rectangular channel cross-section. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Factors affecting the long-term response of surface waters to acidic deposition: state-of-the-science

Energy Technology Data Exchange (ETDEWEB)

Turner, R.S.; Johnson, D.W.; Elwood, J.N.; Van Winkle, W.; Clapp, R.B.; Jones, M.L.; Marmarek, D.R.; Thornton, K.W.; Gherinig, S.A.; Schnoor, J.L.

1986-01-01

Recent intensive study of the causes of surface water acidification has led to numerous hypothesized controlling mechanisms. Among these are the salt-effect reduction of alkalinity, the base cation buffering and sulfate adsorption capacities of soils, availability of weatherable minerals (weathering rates), depth of till, micropore flow, and type of forest cover. Correlative and predictive models have been developed to show the relationships (if any) between hypothesized controlling mechanisms and surface water acidity, and to suggest under what conditions additional surface water might become acid. This document (Part A) is a review of our current knowledge of factors and processes controlling soil and surface water acidification, as well as an assessment of the adequacy of that knowledge for making predictions of future acidification. Section 2 is a data extensive, conceptual overview of how watersheds function. Section 3 is a closer look at the theory and evidence for the key hypotheses. Section 4 is a review of existing methods of assessing system response to acidic deposition.

The surface orientation dependence of the pre-exponential factors extracted from the segregation profiles of a Cu(111/110) bi-crystal

CSIR Research Space (South Africa)

Jafta, CJ

2011-07-01

Full Text Available Previous experimental investigations have only shown, without explanation, that the pre-exponential factor (D0), in the diffusion coefficient of Sb segregating in Cu, is dependent on the surface orientation of a crystal. In this study, the surface...

Utilizing various data sources for surface transportation human factors research : workshop summary report, November 6-7, 2013

Science.gov (United States)

2014-07-01

The report summarizes a 2-day workshop held on November 6-7, 2013, to discuss data sources for surface transportation human factors research. The workshop was designed to assess the increasing number of different datasets and multiple ways of collect...

Mode coupling theory for nonequilibrium glassy dynamics of thermal self-propelled particles.

Science.gov (United States)

Feng, Mengkai; Hou, Zhonghuai

2017-06-28

We present a mode coupling theory study for the relaxation and glassy dynamics of a system of strongly interacting self-propelled particles, wherein the self-propulsion force is described by Ornstein-Uhlenbeck colored noise and thermal noises are included. Our starting point is an effective Smoluchowski equation governing the distribution function of particle positions, from which we derive a memory function equation for the time dependence of density fluctuations in nonequilibrium steady states. With the basic assumption of the absence of macroscopic currents and standard mode coupling approximation, we can obtain expressions for the irreducible memory function and other relevant dynamic terms, wherein the nonequilibrium character of the active system is manifested through an averaged diffusion coefficient D[combining macron] and a nontrivial structural function S 2 (q) with q being the magnitude of wave vector q. D[combining macron] and S 2 (q) enter the frequency term and the vertex term for the memory function, and thus influence both the short time and the long time dynamics of the system. With these equations obtained, we study the glassy dynamics of this thermal self-propelled particle system by investigating the Debye-Waller factor f q and relaxation time τ α as functions of the persistence time τ p of self-propulsion, the single particle effective temperature T eff as well as the number density ρ. Consequently, we find the critical density ρ c for given τ p shifts to larger values with increasing magnitude of propulsion force or effective temperature, in good accordance with previously reported simulation work. In addition, the theory facilitates us to study the critical effective temperature T for fixed ρ as well as its dependence on τ p . We find that T increases with τ p and in the limit τ p → 0, it approaches the value for a simple passive Brownian system as expected. Our theory also well recovers the results for passive systems and can be

The effect of ozone and open air factor on surface-attached and biofilm environmental Listeria monocytogenes.

Science.gov (United States)

Nicholas, R; Dunton, P; Tatham, A; Fielding, L

2013-08-01

The effects of gaseous ozone and open air factor (OAF) on environmental Listeria monocytogenes attached to three common food contact surfaces were investigated. Listeria monocytogenes on different food contact surfaces was treated with ozone and OAF. Microbiological counts, scanning electron microscopy (SEM) and atomic force microscopy (AFM) were performed. Ozone at 10 ppm gave <1-log reduction when L. monocytogenes was attached to stainless steel, while 45 ppm gave a log reduction of 3.41. OAF gave better log reductions than 10 ppm ozone, but lower log reductions than 45 ppm. Significant differences were found between surfaces. Biofilm organisms were significantly more resistant than those surface attached on stainless steel. SEM and AFM demonstrated different membrane and cell surface modifications following ozone or OAF treatment. The strain used demonstrated higher resistance to ozone than previous studies. This may be due to the fact that it was isolated from a food manufacturing premises that used oxidizing disinfectants. OAF was more effective at reducing the levels of the organism than an ozone concentration of 10 ppm. Pathogen management strategies must account for resistance of environmental strains when validating cleaning and disinfection. OAF has shown potential for surface decontamination compared with ozone. SEM and AFM are valuable tools for determining mechanisms of action of antimicrobial agents. © 2013 The Society for Applied Microbiology.

Characterization of cell-surface receptors for monoclonal-nonspecific suppressor factor (MNSF)

International Nuclear Information System (INIS)

Nakamura, M.; Ogawa, H.; Tsunematsu, T.

1990-01-01

Monoclonal-nonspecific suppressor factor (MNSF) is a lymphokine derived from murine T cell hybridoma. The target tissues are both LPS-stimulated B cells and Con A-stimulated T cells. Since the action of MNSF may be mediated by its binding to specific cell surface receptors, we characterized the mode of this binding. The purified MNSF was labeled with 125 I, using the Bolton-Hunter reagent. The labeled MNSF bound specifically to a single class of receptor (300 receptors per cell) on mitogen-stimulated murine B cells or T cells with an affinity of 16 pM at 24 degrees C, in the presence of sodium azide. Competitive experiments showed that MNSF bound to the specific receptor and that the binding was not shared with IL2, IFN-gamma, and TNF. Various cell types were surveyed for the capacity to specifically bind 125 I-MNSF. 125 I-MNSF bound to MOPC-31C (a murine plasmacytoma line) and to EL4 (a murine T lymphoma line). The presence of specific binding correlates with the capacity of the cells to respond to MNSF. These data support the view that like other polypeptide hormones, the action of MNSF is mediated by specific cell surface membrane receptor protein. Identification of these receptors will provide insight into the apparently diverse activities of MNSF

Controls of evapotranspiration and CO2 fluxes from scots pine by surface conductance and abiotic factors.

Directory of Open Access Journals (Sweden)

Tianshan Zha

Full Text Available Evapotranspiration (E and CO2 flux (Fc in the growing season of an unusual dry year were measured continuously over a Scots pine forest in eastern Finland, by eddy covariance techniques. The aims were to gain an understanding of their biological and environmental control processes. As a result, there were obvious diurnal and seasonal changes in E, Fc , surface conductance (gc , and decoupling coefficient (Ω, showing similar trends to those in radiation (PAR and vapour pressure deficit (δ. The maximum mean daily values (24-h average for E, Fc , gc , and Ω were 1.78 mmol m(-2 s(-1, -11.18 µmol m(-2 s(-1, 6.27 mm s(-1, and 0.31, respectively, with seasonal averages of 0.71 mmol m(-2 s(-1, -4.61 µmol m(-2 s(-1, 3.3 mm s(-1, and 0.16. E and Fc were controlled by combined biological and environmental variables. There was curvilinear dependence of E on gc and Fc on gc . Among the environmental variables, PAR was the most important factor having a positive linear relationship to E and curvilinear relationship to Fc , while vapour pressure deficit was the most important environmental factor affecting gc . Water use efficiency was slightly higher in the dry season, with mean monthly values ranging from 6.67 to 7.48 μmol CO2 (mmol H2O(-1 and a seasonal average of 7.06 μmol CO2 (μmol H2O(-1. Low Ω and its close positive relationship with gc indicate that evapotranspiration was sensitive to surface conductance. Mid summer drought reduced surface conductance and decoupling coefficient, suggesting a more biotic control of evapotranspiration and a physiological acclimation to dry air. Surface conductance remained low and constant under dry condition, supporting that a constant value of surface constant can be used for modelling transpiration under drought condition.

Bulletin of Materials Science | Indian Academy of Sciences

Indian Academy of Sciences (India)

Using proper equations, mean bond length, lattice parameter, unit cell volume, mass density, melting temperature, longitudinal and transverse Debye temperature and group velocity for all transverse and longitudinal modes were calculated for each NW diameter mentioned. Surface roughness, Gruneisen parameter and ...

FACET, Radiation View Factor with Shadowing

International Nuclear Information System (INIS)

Shapiro, A.B.

1988-01-01

1 - Description of program or function: FACET calculates the radiation geometric view factor (alternatively called shape factor, angle factor, or configuration factor) between surfaces for axisymmetric, two-dimensional planar and three-dimensional geometries with interposed third surface obstructions. FACET was developed to calculate view factors as input data to finite element heat transfer analysis codes. 2 - Method of solution: Three algorithms are incorporated to integrate the view factor equation for three dimensional geometries. The algorithm used for any two surfaces depends on their geometric relationship and whether third surface obstructions exist. The three algorithms are the area integration (AI) method, the line integration method (LI), and the Mitalas and Stephenson (MS) method. The LI method is used to calculate the view factor between two disjoint surfaces. If the two surfaces have an adjoint edge, the MS method is used. The AI method is used if there is self or third surface shadowing. In two-dimensional planar geometries, the view factor between two surfaces is calculated using Hottel's cross string method. For axisymmetric geometries in the absence of shadowing, the view factor between two surfaces is calculated by view factor algebra using the view factors between parallel coaxial discs. In the presence of self or third surface shadowing, the geometry is represented in three dimensions before calculating the view factors

Theoretical Calculations of the Seasonal and Solar Activity Variations for Ionospheric Collision Frequency and Debye Length over Baghdad City

Directory of Open Access Journals (Sweden)

Ali Hussein Ni'ma

2017-03-01

Full Text Available In this study, two important ionospheric factors have been calculated, the collision frequency of electron and Deby length for a height range from 80 Km to a height approaching the maximum height of the F2 region of the ionosphere above the Earth's surface. Both above factors have been calculated for two different levels of solar activity and for two seasons (winter and summer. Also, six months were adopted for every level of solar activity and season. The estimation of collision frequency of electron is depends on the contribution of neutral constituents and ions. Three neutral atmospheric gases have been adopted to calculate the collision frequency, Molecular and atomic oxygen O2 and O respectively and molecular nitrogen N2, as well as the singly charged ions were taken into account in calculation.

Shielding Factors for Gamma Radiation from Activity Deposited on Structures and Ground Surfaces

DEFF Research Database (Denmark)

Jensen, Per Hedemann

1985-01-01

A computer model DEPSHIELD for the calculation of shielding factors for gamma radiation at indoor residences in multistorey and single-family houses has been developed. The model is based on the exponential point kernel that links the radiation flux density at a given detector point to a point...... it possible to determine the dose reduction effect from a decontamination of the different surfaces. The model has been used in a study of the consequences of land contamination of Danish territory after hypothetical core-melt accidents at the Barseback nuclear power plant in Sweden. The model has also been...

Shoe and field surface risk factors for acute lower extremity injuries among female youth soccer players

Science.gov (United States)

O'Kane, John W.; Gray, Kristen E.; Levy, Marni R.; Neradilek, Moni; Tencer, Allan F.; Polissar, Nayak L.; Schiff, Melissa A.

2015-01-01

Objective Describe acute lower extremity injuries and evaluate extrinsic risk factors in female youth soccer Design Nested case-control study Setting Youth soccer clubs in Washington State, USA. Participants Female soccer players (N= 351) ages 11 to 15 years randomly selected from 4 soccer clubs from which 83% of their players were enrolled with complete follow-up for 92% of players. Interventions Injured players were interviewed regarding injury, field surface, shoe type, and position. Uninjured controls, matched on game or practice session, were also interviewed. Main Outcome Measures The association between risk factors and acute lower extremity injury using logistic regression to estimate odds ratios (OR) and 95% confidence intervals (CI). Results One hundred seventy-three acute lower extremity injuries occurred involving primarily the ankle (39.3%), knee (24.9%), and thigh (11.0%). Over half (52.9%) recovered within 1 week, while 30.2% lasted beyond 2 weeks. During practices, those injured were approximately 3-fold ( OR 2.83, 95% CI 1.49-5.31) more likely to play on grass than artificial turf and 2.4-fold (95% CI 1.03-5.96) more likely to wear cleats on grass than other shoe and surface combinations. During games injured players were 89% (95% CI 1.03-4.17) more likely to play defender compared to forward. Conclusions Half of the acute lower extremity injuries affected the ankle or knee. Grass surface and wearing cleats on grass increased training injuries. PMID:26327288

Rapid Surface Oxidation as a Source of Surface Degradation Factor for Bi 2 Se 3

KAUST Repository

Kong, Desheng

2011-06-28

Bismuth selenide (Bi2Se3) is a topological insulator with metallic surface states (SS) residing in a large bulk bandgap. In experiments, synthesized Bi2Se3 is often heavily n-type doped due to selenium vacancies. Furthermore, it is discovered from experiments on bulk single crystals that Bi2Se3 gets additional n-type doping after exposure to the atmosphere, thereby reducing the relative contribution of SS in total conductivity. In this article, transport measurements on Bi2Se3 nanoribbons provide additional evidence of such environmental doping process. Systematic surface composition analyses by X-ray photoelectron spectroscopy reveal fast formation and continuous growth of native oxide on Bi2Se3 under ambient conditions. In addition to n-type doping at the surface, such surface oxidation is likely the material origin of the degradation of topological SS. Appropriate surface passivation or encapsulation may be required to probe topological SS of Bi2Se3 by transport measurements. © 2011 American Chemical Society.

Analytical prediction of friction factors and Nusselt numbers of turbulent forced convection in rod bundles with smooth and rough surfaces

International Nuclear Information System (INIS)

Su Jian; Silva Freire, Atila P.

2002-01-01

A simple analytical method was developed for the prediction of the friction factor, f, of fully developed turbulent flow and the Nusselt number, Nu, of fully developed turbulent forced convection in rod bundles arranged in square or hexagonal arrays. The friction factor equation for smooth rod bundles was presented in a form similar to the friction factor equation for turbulent flow in a circular pipe. An explicit equation for the Nusselt number of turbulent forced convection in rod bundles with smooth surface was developed. In addition, we extended the analysis to rod bundles with rough surface and provided a method for the prediction of the friction factor and the Nusselt number. The method was based on the law of the wall for velocity and the law of the wall for the temperature, which were integrated over the entire flow area to yield algebraic equations for the prediction of f and Nu. The present method is applicable to infinite rod bundles in square and hexagonal arrays with low pitch to rod diameter ratio, P/D<1.2

GEOSURF: a computer program for modeling adsorption on mineral surfaces from aqueous solution

Science.gov (United States)

Sahai, Nita; Sverjensky, Dimitri A.

1998-11-01

A new program, GEOSURF, has been developed for calculating aqueous and surface speciation consistent with the triple-layer model of surface complexation. GEOSURF is an extension of the original programs MINEQL, MICROQL and HYDRAQL. We present, here, the basic algorithm of GEOSURF along with a description of the new features implemented. GEOSURF is linked to internally consistent data bases for surface species (SURFK.DAT) and for aqueous species (AQSOL.DAT). SURFK.DAT contains properties of minerals such as site densities, and equilibrium constants for adsorption of aqueous protons and electrolyte ions on a variety of oxides and hydroxides. The Helgeson, Kirkham and Flowers version of the extended Debye-Huckel Equation for 1:1 electrolytes is implemented for calculating aqueous activity coefficients. This permits the calculation of speciation at ionic strengths greater than 0.5 M. The activity of water is computed explicitly from the osmotic coefficient of the solution, and the total amount of electrolyte cation (or anion) is adjusted to satisfy the electroneutrality condition. Finally, the use of standard symbols for chemical species rather than species identification numbers is included to facilitate use of the program. One of the main limitations of GEOSURF is that aqueous and surface speciation can only be calculated at fixed pH and at fixed concentration of total adsorbate. Thus, the program cannot perform reaction-path calculations: it cannot determine whether or not a solution is over- or under-saturated with respect to one or more solid phases. To check the proper running of GEOSURF, we have compared results generated by GEOSURF with those from two other programs, HYDRAQL and EQ3. The Davies equation and the "bdot" equation, respectively, are used in the latter two programs for calculating aqueous activity coefficients. An example of the model fit to experimental data for rutile in 0.001 M-2.0 M NaNO 3 is included.

Computer-aided study of key factors determining high mechanical properties of nanostructured surface layers in metal-ceramic composites

Science.gov (United States)

Konovalenko, Igor S.; Shilko, Evgeny V.; Ovcharenko, Vladimir E.; Psakhie, Sergey G.

2017-12-01

The paper presents the movable cellular automaton method. It is based on numerical models of surface layers of the metal-ceramic composite NiCr-TiC modified under electron beam irradiation in inert gas plasmas. The models take into account different geometric, concentration and mechanical parameters of ceramic and metallic components. The authors study the contributions of key structural factors in mechanical properties of surface layers and determine the ranges of their variations by providing the optimum balance of strength, strain hardening and fracture toughness.

Electronic structure, thermodynamic properties and hydrogenation of LaPtIn and CePtIn compounds by ab-initio methods

International Nuclear Information System (INIS)

Jezierski, Andrzej; Szytuła, Andrzej

2016-01-01

The electronic structures and thermodynamic properties of LaPtIn and CePtIn are studied by means of ab-initio full-relativistic full-potential local orbital basis (FPLO) method within densities functional (DFT) methodologies. We have also examined the influence of hydrogen on the electronic structure and stability of CePtInH and LaPtInH systems. The positions of the hydrogen atoms have been found from the minimum of the total energy. Our calculations have shown that band structure and topology of the Fermi surfaces changed significantly during the hydrogenation. The thermodynamic properties (bulk modulus, Debye temperatures, constant pressure heat capacity) calculated in quasi-harmonic Debye-Grüneisen model are in a good agreement with the experimental data. We have applied different methods of the calculation of the equation of states (EOS) (Murnaghan, Birch-Murnaghan, Poirier–Tarantola, Vinet). The thermodynamic properties are presented for the pressure 0< P<9 GPa and the temperature range 0< T<300 K. - Highlights: • Full relativistic band structure of LaPtIn and CePtIn. • Fermi surface of LaPtIn, LaPtInH, CePtIn, CePtInH. • Effect of hydrogenation on the electronic structure of LaPtIn and CePtIn. • Thermodynamic properties in the quasi-harmonic Debye-Grüneisen model.

Evaluation of Unfixed Tritium Surface Contamination

International Nuclear Information System (INIS)

Postolache, C.; Matei, Lidia

2005-01-01

Surface unfixed radioactive contamination represents the amount of surface total radioactive contamination which can be eliminated by pure mechanical processes. This unfixed contamination represents the main risk factor for contamination of the personnel which operates in tritium laboratories. Unfixed contamination was determined using sampling smears type FPCSN-PSE-AA. Those FPCSN-PSE-AA smears are disks of expanded polystyrene which contain acrylic acid fragments superficially grafted. Sampling factor was determinated by contaminated surface wiping with moisten smears in 50 μL butylic alcohol and activity measuring at liquid scintillation measuring device. Sampling factor was determined by the ratio between measured activity and initially real conventional activity. The sampling factor was determined for Tritium Laboratory existent surfaces: stainless steel, aluminum, glass, ceramics, linoleum, washable coats, epoxy resins type ALOREX LP-52.The sampling factors and the reproducibility were determined in function of surface nature

Factors Influencing NO2 Adsorption/Reduction on Microporous Activated Carbon: Porosity vs. Surface Chemistry

Directory of Open Access Journals (Sweden)

Imen Ghouma

2018-04-01

Full Text Available The textural properties and surface chemistry of different activated carbons, prepared by the chemical activation of olive stones, have been investigated in order to gain insight on the NO2 adsorption mechanism. The parent chemical activated carbon was prepared by the impregnation of olive stones in phosphoric acid followed by thermal carbonization. Then, the textural properties and surface chemistry were modified by chemical treatments including nitric acid, sodium hydroxide and/or a thermal treatment at 900 °C. The main properties of the parent and modified activated carbons were analyzed by N2-adsorption, scanning electron microscopy (SEM, and Fourier transform infrared spectroscopy (FTIR techniques, in order to enlighten the modifications issued from the chemical and thermal treatments. The NO2 adsorption capacities of the different activated carbons were measured in fixed bed experiments under 500 ppmv NO2 concentrations at room temperature. Temperature programmed desorption (TPD was applied after adsorption tests in order to quantify the amount of the physisorbed and chemisorbed NO2. The obtained results showed that the development of microporosity, the presence of oxygen-free sites, and the presence of basic surface groups are key factors for the efficient adsorption of NO2.

Tight ceramic UF membrane as RO pre-treatment: the role of electrostatic interactions on phosphate rejection.

Science.gov (United States)

Shang, Ran; Verliefde, Arne R D; Hu, Jingyi; Zeng, Zheyi; Lu, Jie; Kemperman, Antoine J B; Deng, Huiping; Nijmeijer, Kitty; Heijman, Sebastiaan G J; Rietveld, Luuk C

2014-01-01

Phosphate limitation has been reported as an effective approach to inhibit biofouling in reverse osmosis (RO) systems for water purification. The rejection of dissolved phosphate by negatively charged TiO2 tight ultrafiltration (UF) membranes (1 kDa and 3 kDa) was observed. These membranes can potentially be adopted as an effective process for RO pre-treatment in order to constrain biofouling by phosphate limitation. This paper focuses on electrostatic interactions during tight UF filtration. Despite the larger pore size, the 3 kDa ceramic membrane exhibited greater phosphate rejection than the 1 kDa membrane, because the 3 kDa membrane has a greater negative surface charge and thus greater electrostatic repulsion against phosphate. The increase of pH from 6 to 8.5 led to a substantial increase in phosphate rejection by both membranes due to increased electrostatic repulsion. At pH 8.5, the maximum phosphate rejections achieved by the 1 kDa and 3 kDa membrane were 75% and 86%, respectively. A Debye ratio (ratio of the Debye length to the pore radius) is introduced in order to evaluate double layer overlapping in tight UF membranes. Threshold Debye ratios were determined as 2 and 1 for the 1 kDa and 3 kDa membranes, respectively. A Debye ratio below the threshold Debye ratio leads to dramatically decreased phosphate rejection by tight UF membranes. The phosphate rejection by the tight UF, in combination with chemical phosphate removal by coagulation, might accomplish phosphate-limited conditions for biological growth and thus prevent biofouling in the RO systems. Copyright © 2013 Elsevier Ltd. All rights reserved.

Electrohydrodynamics of binary electrolytes driven by modulated surface potentials

DEFF Research Database (Denmark)

Mortensen, Asger; Olesen, Laurits Højgaard; Belmon, L.

2005-01-01

We study the electrohydrodynamics of the Debye screening layer that arises in an aqueous binary solution near a planar insulating wall when applying a spatially modulated ac voltage. Combining this with first order perturbation theory we establish the governing equations for the full nonequilibrium...... problem and obtain analytic solutions in the bulk for the pressure and velocity fields of the electrolyte and for the electric potential. We find good agreement between the numerics of the full problem and the analytics of the linear theory. Our work provides the theoretical foundations of circuit models...

Communication: Relationship between solute localization and diffusion in a dynamically constrained polymer system

Energy Technology Data Exchange (ETDEWEB)

Saylor, David M.; Jawahery, Sudi; Silverstein, Joshua S.; Forrey, Christopher [Center for Devices and Radiological Health, FDA, Silver Spring, Maryland 20993 (United States)

2016-07-21

We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.

Determination of equilibrium factor between radon and its progeny using surface barrier detector for various shapes of passive radon dosimeters

Energy Technology Data Exchange (ETDEWEB)

Jamil, K. [PINSTECH, Islamabad (Pakistan). Environ. Radiat. Group; Fazal-ur-Rehman [PINSTECH, Islamabad (Pakistan). Environ. Radiat. Group; Ali, S. [PINSTECH, Islamabad (Pakistan). Environ. Radiat. Group; Khan, H.A. [PINSTECH, Islamabad (Pakistan). Environ. Radiat. Group

1997-03-21

In the field of radon dosimetry, it is customary to measure radon ({sup 222}Rn) concentration while potential health hazard is due to the radon short-lived progeny. When radon is in secular equilibrium, the measured activity of radon equals the activity of radon`s progeny. However, in practical cases an inequilibrium between radon and its progeny exists which is measured in terms of the equilibrium factor. To determine the equilibrium factor between radon and its progeny in a closed environment various shapes of passive dosimeters based upon solid state nuclear track detectors (SSNTDs) are employed. In order to observe the dependence of equilibrium factor upon shapes or effective volumes, experiments have been performed replacing the SSNTDs with a surface barrier detector in Karlsruhe diffusion chamber, pen-type and box-type dosimeters. Using the collected alpha spectra, the equilibrium factor has been determined for a radon-air mixture in a custom designed radon chamber simulating a closed environment of a room. The results show that the radon equilibrium factor is about 0.20 for different shapes of dosimeters studied in this research. It is concluded that the determination of equilibrium factor between radon and its progeny does not depend upon effective volume or shape of the passive dosimeters using alpha spectroscopic data acquired by surface barrier detector. (orig.).

Determination of equilibrium factor between radon and its progeny using surface barrier detector for various shapes of passive radon dosimeters

International Nuclear Information System (INIS)

Jamil, K.; Fazal-ur-Rehman; Ali, S.; Khan, H.A.

1997-01-01

In the field of radon dosimetry, it is customary to measure radon ( 222 Rn) concentration while potential health hazard is due to the radon short-lived progeny. When radon is in secular equilibrium, the measured activity of radon equals the activity of radon's progeny. However, in practical cases an inequilibrium between radon and its progeny exists which is measured in terms of the equilibrium factor. To determine the equilibrium factor between radon and its progeny in a closed environment various shapes of passive dosimeters based upon solid state nuclear track detectors (SSNTDs) are employed. In order to observe the dependence of equilibrium factor upon shapes or effective volumes, experiments have been performed replacing the SSNTDs with a surface barrier detector in Karlsruhe diffusion chamber, pen-type and box-type dosimeters. Using the collected alpha spectra, the equilibrium factor has been determined for a radon-air mixture in a custom designed radon chamber simulating a closed environment of a room. The results show that the radon equilibrium factor is about 0.20 for different shapes of dosimeters studied in this research. It is concluded that the determination of equilibrium factor between radon and its progeny does not depend upon effective volume or shape of the passive dosimeters using alpha spectroscopic data acquired by surface barrier detector. (orig.)

Influence of Urbanization Factors on Surface Urban Heat Island Intensity: A Comparison of Countries at Different Developmental Phases

Directory of Open Access Journals (Sweden)

Yaoping Cui

2016-07-01

Full Text Available Urbanization is a global problem with demographic trends. The urban heat island plays a dominant role in local climate systems. Despite existing efforts to understand the impacts of multiple urbanization factors on the urban heat island globally, very little is known about the attribution of urban heat island magnitude to urbanization in different locations or developmental phases. In this study, based on global land surface temperature data, urban spatial domain data, gross domestic product (GDP, and population data, we analyzed the influence of multiple urbanization factors on global surface urban heat island intensity (SUHII. We also tentatively compared the abovementioned factors between different regions across the globe, especially between China and the USA, the largest countries that are experiencing or have experienced rapid urbanization in recent decades. The results showed that global SUHII had remarkable spatial heterogeneity due to the geographical and socioeconomic variation between cities. There was a significant correlation between SUHII and population as well as GDP in global cities. Moreover, this study suggested that the impacts of population on SUHII might be stronger in the early stages of urbanization, and the GDP factor would become a critical factor at a certain development level. The urban area also had non-ignorable impacts on SUHII, while the correlation between SUHII and urban shape was relatively weak. All these may imply that the best approach to slow down SUHII is to find other solutions, e.g., optimize the spatial configuration of urban internal landscapes, when the urbanization reaches a high level.

Surface water quality assessment using factor analysis

African Journals Online (AJOL)

2006-01-16

Jan 16, 2006 ... Surface water, groundwater quality assessment and environ- .... Urbanisation influences the water cycle through changes in flow and water ..... tion of aquatic life, CCME water quality Index 1, 0. User`s ... Water, Air Soil Pollut.

A self-amplified transistor immunosensor under dual gate operation: highly sensitive detection of hepatitis B surface antigen

Science.gov (United States)

Lee, I.-K.; Jeun, M.; Jang, H.-J.; Cho, W.-J.; Lee, K. H.

2015-10-01

Ion-sensitive field-effect transistors (ISFETs), although they have attracted considerable attention as effective immunosensors, have still not been adopted for practical applications owing to several problems: (1) the poor sensitivity caused by the short Debye screening length in media with high ion concentration, (2) time-consuming preconditioning processes for achieving the highly-diluted media, and (3) the low durability caused by undesirable ions such as sodium chloride in the media. Here, we propose a highly sensitive immunosensor based on a self-amplified transistor under dual gate operation (immuno-DG ISFET) for the detection of hepatitis B surface antigen. To address the challenges in current ISFET-based immunosensors, we have enhanced the sensitivity of an immunosensor by precisely tailoring the nanostructure of the transistor. In the pH sensing test, the immuno-DG ISFET showed superior sensitivity (2085.53 mV per pH) to both standard ISFET under single gate operation (58.88 mV per pH) and DG ISFET with a non-tailored transistor (381.14 mV per pH). Moreover, concerning the detection of hepatitis B surface antigens (HBsAg) using the immuno-DG ISFET, we have successfully detected trace amounts of HBsAg (22.5 fg mL-1) in a non-diluted 1× PBS medium with a high sensitivity of 690 mV. Our results demonstrate that the proposed immuno-DG ISFET can be a biosensor platform for practical use in the diagnosis of various diseases.Ion-sensitive field-effect transistors (ISFETs), although they have attracted considerable attention as effective immunosensors, have still not been adopted for practical applications owing to several problems: (1) the poor sensitivity caused by the short Debye screening length in media with high ion concentration, (2) time-consuming preconditioning processes for achieving the highly-diluted media, and (3) the low durability caused by undesirable ions such as sodium chloride in the media. Here, we propose a highly sensitive immunosensor

X-ray characterisation of nanostructured materials

DEFF Research Database (Denmark)

Oddershede, Jette

X-ray powder di®raction (XRPD) is an excellent tool for characterising the bulk structure of crystalline materials. Along with the growing interest in exploiting materials with decreasing particle sizes and increasing number of defects, factors that complicate the traditional interpretation...... of the experi- mental XRPD patterns, the need for new interpretation methods has arisen. The method described in the present thesis is by no means new, in fact it was developed by Debye in 1915. However, the Debye method it is rather computationally heavy, so in practise it is only applicable to the X-ray char...

Pramana – Journal of Physics | Indian Academy of Sciences

Indian Academy of Sciences (India)

The energy relaxation between the hot degenerate electrons of a homogeneously photoexcited metal film and the surface phonons (phonon wave vectors in two dimensions) is considered under Debye approximation. The state of electrons and phonons is described by equilibrium Fermi and Bose functions with different ...

Dynamic factor modeling of ground and surface water levels in an agricultural area adjacent to Everglades National Park

Science.gov (United States)

Ritter, A.; Muñoz-Carpena, R.

2006-02-01

The extensive eastern boundary of Everglades National Park (ENP) in south Florida (USA) is subject to one the most expensive and ambitious environmental restoration projects in history. Understanding and predicting the interaction between the shallow aquifer and surface water is a key component for fine-tuning the process. The Frog Pond is an intensively instrumented agricultural 2023 ha area adjacent to ENP. The interactions among 21 multivariate daily time series (ground and surface water elevations, rainfall and evapotranspiration) available from this area were studied by means of dynamic factor analysis, a novel technique in the field of hydrology. This method is designed to determine latent or background effects governing variability or fluctuations in non-stationary time series. Water levels in 16 wells and two drainage ditch locations inside the area were selected as response variables, and canal levels and net recharge as explanatory variables. Elevations in the two canals delimiting the Frog Pond area were found to be the main factors explaining the response variables. This influence of canal elevations on water levels inside the area was complementary and inversely related to the distance between the observation point and each canal. Rainfall events do not affect daily water levels significantly but are responsible for instantaneous or localized groundwater responses that in some cases can be directly associated with the risk of flooding. This close coupling between surface and groundwater levels, that corroborates that found by other authors using different methods, could hinder on-going environmental restoration efforts in the area by bypassing the function of wetlands and other surface features. An empirical model with a reduced set of parameters was successfully developed and validated in the area by interpolating the results from the dynamic factor analysis across the spatial domain (coefficient of efficiency across the domain: 0.66-0.99). Although

High quality-factor quartz tuning fork glass probe used in tapping mode atomic force microscopy for surface profile measurement

Science.gov (United States)

Chen, Yuan-Liu; Xu, Yanhao; Shimizu, Yuki; Matsukuma, Hiraku; Gao, Wei

2018-06-01

This paper presents a high quality-factor (Q-factor) quartz tuning fork (QTF) with a glass probe attached, used in frequency modulation tapping mode atomic force microscopy (AFM) for the surface profile metrology of micro and nanostructures. Unlike conventionally used QTFs, which have tungsten or platinum probes for tapping mode AFM, and suffer from a low Q-factor influenced by the relatively large mass of the probe, the glass probe, which has a lower density, increases the Q-factor of the QTF probe unit allowing it to obtain better measurement sensitivity. In addition, the process of attaching the probe to the QTF with epoxy resin, which is necessary for tapping mode AFM, is also optimized to further improve the Q-factor of the QTF glass probe. The Q-factor of the optimized QTF glass probe unit is demonstrated to be very close to that of a bare QTF without a probe attached. To verify the effectiveness and the advantages of the optimized QTF glass probe unit, the probe unit is integrated into a home-built tapping mode AFM for conducting surface profile measurements of micro and nanostructures. A blazed grating with fine tool marks of 100 nm, a microprism sheet with a vertical amplitude of 25 µm and a Fresnel lens with a steep slope of 90 degrees are used as measurement specimens. From the measurement results, it is demonstrated that the optimized QTF glass probe unit can achieve higher sensitivity as well as better stability than conventional probes in the measurement of micro and nanostructures.

Inclusion of Solar Elevation Angle in Land Surface Albedo Parameterization Over Bare Soil Surface.

Science.gov (United States)

Zheng, Zhiyuan; Wei, Zhigang; Wen, Zhiping; Dong, Wenjie; Li, Zhenchao; Wen, Xiaohang; Zhu, Xian; Ji, Dong; Chen, Chen; Yan, Dongdong

2017-12-01

Land surface albedo is a significant parameter for maintaining a balance in surface energy. It is also an important parameter of bare soil surface albedo for developing land surface process models that accurately reflect diurnal variation characteristics and the mechanism behind the solar spectral radiation albedo on bare soil surfaces and for understanding the relationships between climate factors and spectral radiation albedo. Using a data set of field observations, we conducted experiments to analyze the variation characteristics of land surface solar spectral radiation and the corresponding albedo over a typical Gobi bare soil underlying surface and to investigate the relationships between the land surface solar spectral radiation albedo, solar elevation angle, and soil moisture. Based on both solar elevation angle and soil moisture measurements simultaneously, we propose a new two-factor parameterization scheme for spectral radiation albedo over bare soil underlying surfaces. The results of numerical simulation experiments show that the new parameterization scheme can more accurately depict the diurnal variation characteristics of bare soil surface albedo than the previous schemes. Solar elevation angle is one of the most important factors for parameterizing bare soil surface albedo and must be considered in the parameterization scheme, especially in arid and semiarid areas with low soil moisture content. This study reveals the characteristics and mechanism of the diurnal variation of bare soil surface solar spectral radiation albedo and is helpful in developing land surface process models, weather models, and climate models.

Broadband dynamics in neat 4-methyl-3-heptanol and in mixtures with 2-ethyl-1-hexanol

DEFF Research Database (Denmark)

Hecksher, Tina; Olsen, Niels Boye; Bauer, S

2013-01-01

place on similar time scales in contrast to the situation for the structural isomer 2-ethyl-1-hexanol (2E1H) [S. Schildmann et al. , J. Chem. Phys.135, 174511 (2011)]. This indicates a very weak decoupling of Debye-like and structural relaxation which was further probed using volume expansivity...... experiments. Shear viscosity as well as diffusometry measurements were performed and the data were analyzed in terms of the Debye-Stokes-Einstein equations. In mixtures of 4M3H with 2E1H the Debye-like process becomes much stronger and for 2E1H mole fraction of more than 25% the behavior of this alcohol...... is rapidly approached. This finding is interpreted to indicate that the ring-like supramolecular structures in 4M3H become energetically unfavorable when adding 2E1H, an alcohol that tends to form chain-like molecular aggregates. The concentration dependence of the Kirkwood factor in these mixtures displays...

Two hypotheses were tested, namely:

African Journals Online (AJOL)

Referee

anthelmintic thereby indirectly controlling blowfly strike. A.J. Scholtz ... monetary terms and because of the stress associated with flystrike (Waghorn et al., 1999). Gastro- ... Barger, 1988; Waller, 1994) in combination with managerial practices.

Calculations of the electrostatic potential adjacent to model phospholipid bilayers.

Science.gov (United States)

Peitzsch, R M; Eisenberg, M; Sharp, K A; McLaughlin, S

1995-03-01

We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing mixtures of zwitterionic lipids (phosphatidylcholine) and acidic lipids (phosphatidylserine or phosphatidylglycerol). The aqueous phase (relative permittivity, epsilon r = 80) contains 0.1 M monovalent salt. When the bilayers contain equipotential surfaces are discrete domes centered over the negatively charged lipids and are approximately twice the value calculated using Debye-Hückel theory. When the bilayers contain > 25% acidic lipid, the -25 mV equipotential profiles are essentially flat and agree well with the values calculated using Gouy-Chapman theory. When the bilayers contain 100% acidic lipid, all of the equipotential surfaces are flat and agree with Gouy-Chapman predictions (including the -100 mV surface, which is located only 1 A from the outermost atoms). Even our model bilayers are not simple systems: the charge on each lipid is distributed over several atoms, these partial charges are non-coplanar, there is a 2 A ion-exclusion region (epsilon r = 80) adjacent to the polar headgroups, and the molecular surface is rough. We investigated the effect of these four factors using smooth (or bumpy) epsilon r = 2 slabs with embedded point charges: these factors had only minor effects on the potential in the aqueous phase.

The 1.7 Å X-ray crystal structure of the porcine factor VIII C2 domain and binding analysis to anti-human C2 domain antibodies and phospholipid surfaces.

Directory of Open Access Journals (Sweden)

Caileen M Brison

Full Text Available The factor VIII C2 domain is essential for binding to activated platelet surfaces as well as the cofactor activity of factor VIII in blood coagulation. Inhibitory antibodies against the C2 domain commonly develop following factor VIII replacement therapy for hemophilia A patients, or they may spontaneously arise in cases of acquired hemophilia. Porcine factor VIII is an effective therapeutic for hemophilia patients with inhibitor due to its low cross-reactivity; however, the molecular basis for this behavior is poorly understood. In this study, the X-ray crystal structure of the porcine factor VIII C2 domain was determined, and superposition of the human and porcine C2 domains demonstrates that most surface-exposed differences cluster on the face harboring the "non-classical" antibody epitopes. Furthermore, antibody-binding results illustrate that the "classical" 3E6 antibody can bind both the human and porcine C2 domains, although the inhibitory titer to human factor VIII is 41 Bethesda Units (BU/mg IgG versus 0.8 BU/mg IgG to porcine factor VIII, while the non-classical G99 antibody does not bind to the porcine C2 domain nor inhibit porcine factor VIII activity. Further structural analysis of differences between the electrostatic surface potentials suggest that the C2 domain binds to the negatively charged phospholipid surfaces of activated platelets primarily through the 3E6 epitope region. In contrast, the G99 face, which contains residue 2227, should be distal to the membrane surface. Phospholipid binding assays indicate that both porcine and human factor VIII C2 domains bind with comparable affinities, and the human K2227A and K2227E mutants bind to phospholipid surfaces with similar affinities as well. Lastly, the G99 IgG bound to PS-immobilized factor VIII C2 domain with an apparent dissociation constant of 15.5 nM, whereas 3E6 antibody binding to PS-bound C2 domain was not observed.

Modified Bose-Einstein and Fermi-Dirac statistics if excitations are localized on an intermediate length scale: applications to non-Debye specific heat.

Science.gov (United States)

Chamberlin, Ralph V; Davis, Bryce F

2013-10-01

Disordered systems show deviations from the standard Debye theory of specific heat at low temperatures. These deviations are often attributed to two-level systems of uncertain origin. We find that a source of excess specific heat comes from correlations between quanta of energy if excitations are localized on an intermediate length scale. We use simulations of a simplified Creutz model for a system of Ising-like spins coupled to a thermal bath of Einstein-like oscillators. One feature of this model is that energy is quantized in both the system and its bath, ensuring conservation of energy at every step. Another feature is that the exact entropies of both the system and its bath are known at every step, so that their temperatures can be determined independently. We find that there is a mismatch in canonical temperature between the system and its bath. In addition to the usual finite-size effects in the Bose-Einstein and Fermi-Dirac distributions, if excitations in the heat bath are localized on an intermediate length scale, this mismatch is independent of system size up to at least 10(6) particles. We use a model for correlations between quanta of energy to adjust the statistical distributions and yield a thermodynamically consistent temperature. The model includes a chemical potential for units of energy, as is often used for other types of particles that are quantized and conserved. Experimental evidence for this model comes from its ability to characterize the excess specific heat of imperfect crystals at low temperatures.

Further structural insights into the binding of complement factor H by complement regulator-acquiring surface protein 1 (CspA) of Borrelia burgdorferi

International Nuclear Information System (INIS)

Caesar, Joseph J. E.; Wallich, Reinhard; Kraiczy, Peter; Zipfel, Peter F.; Lea, Susan M.

2013-01-01

B. burgdorferi binds complement factor H using a dimeric surface protein, CspA (BbCRASP-1). Presented here is a new structure of CspA that suggests that there is a degree of flexibility between subunits which may have implications for complement regulator binding. Borrelia burgdorferi has evolved many mechanisms of evading the different immune systems across its range of reservoir hosts, including the capture and presentation of host complement regulators factor H and factor H-like protein-1 (FHL-1). Acquisition is mediated by a family of complement regulator-acquiring surface proteins (CRASPs), of which the atomic structure of CspA (BbCRASP-1) is known and shows the formation of a homodimeric species which is required for binding. Mutagenesis studies have mapped a putative factor H binding site to a cleft between the two subunits. Presented here is a new atomic structure of CspA which shows a degree of flexibility between the subunits which may be critical for factor H scavenging by increasing access to the binding interface and allows the possibility that the assembly can clamp around the bound complement regulators

Analytical Electron Diffraction from Iii-V and II-Vi Semiconductors

Science.gov (United States)

Spellward, Paul

Available from UMI in association with The British Library. This thesis describes the development and evaluation of a number of new TEM-based techniques for the measurement of composition in ternary III-V and II-VI semiconductors. New methods of polarity determination in binary and ternary compounds are also presented. The theory of high energy electron diffraction is outlined, with particular emphasis on zone axis diffraction from well-defined strings. An account of TEM microstructural studies of Cd_{rm x}Hg _{rm 1-x}Te and CdTe epitaxial layers, which provided the impetus for developing the diffraction-based analytical techniques, is given. The wide range of TEM-based compositional determination techniques is described. The use of HOLZ deficiency lines to infer composition from a lattice parameter measurement is evaluated. In the case of Cd_{ rm x}Hg_{rm 1-x}Te, it is found to be inferior to other techniques developed. Studies of dynamical aspects of HOLZ diffraction can yield information about the dispersion surface from which a measure of composition may be obtained. This technique is evaluated for Al_{rm x}Ga_{rm 1-x} As, in which it is found to be of some use, and for Cd_{rm x}Hg _{rm 1-x}Te, in which the large Debye-Waller factor associated with mercury in discovered to render the method of little value. A number of critical voltages may be measured in medium voltage TEMs. The (111) zone axis critical voltage of Cd_{rm x}Hg _{rm 1-x}Te is found to vary significantly with x and forms the basis of an accurate technique for composition measurement in that ternary compound. Other critical voltage phenomena are investigated. In Al _{rm x}Ga_ {rm 1-x}As and other light ternaries, a non-systematic critical voltage is found to vary with x, providing a good indicator of composition. Critical voltage measurements may be made by conventional CBED or by various other techniques, which may also simultaneously yield information on the spatial variation of composition. The

SHORTER MENSTRUAL CYCLES ASSOCIATED WITH CHLORINATION BY-PRODUCTS IN DRINKING WATER

Science.gov (United States)

Shorter Menstrual Cycles Associated with Chlorination by-Products in Drinking Water. Gayle Windham, Kirsten Waller, Meredith Anderson, Laura Fenster, Pauline Mendola, Shanna Swan. California Department of Health Services.In previous studies of tap water consumption we...

A Predictive Model of Surface Warfare Officer Retention: Factors Affecting Turnover

National Research Council Canada - National Science Library

Gjurich, Gregory

1999-01-01

Junior Surface Warfare Officer retention is in a crisis. The Surface Warfare Officer community anticipates an inability to fill Department Head billets due to the number of junior Surface Warfare Officers leaving military service...

Geometrical-optics phenomena in the elastic scattering of fictitious heavy neutral nuclei by absorbing potentials

International Nuclear Information System (INIS)

Anni, R.; Taffara, L.

1976-01-01

A fictitious scattering phenomenon between neutral heavy particles is analysed by using both the square-well and trapezoidal complex potentials. After a preliminary phenomenological discussion based on the behaviour of the exact scattering matrix and the trajectories of Regge poles and zeros as continuous functions of the imaginary part of the potential, the contributions to the scattering amplitude from the external and multiple internal reflections and from the ''surface waves'' are separated by using the Debye expansion of the S(lambda)-matrix. The most important first two terms of this expansion are then compared with the exact behaviour of both the partial-wave scattering amplitude and cross-section, and the results are discussed. In particular, for potentials with large imaginary parts, the first term of the Debye expansion, which is associated with the rays directly reflected by the surface, well approximates the exact scattering matrix for all angular momenta. In these cases, by applying to this first term the Watson transformation, one is able to separate the contributions from the reflected rays (saddle-point contribution in the background integral)from that of the surface waves(surface pole contribution) which are responsible for the diffraction phenomenon. Studies are in progress in order to extend this approach to the Saxon-Wood potential with Coulomb interaction

Eukaryotic translation initiation factor 3 subunit e controls intracellular calcium homeostasis by regulation of cav1.2 surface expression.

Directory of Open Access Journals (Sweden)

Pawel Buda

Full Text Available Inappropriate surface expression of voltage-gated Ca(2+channels (CaV in pancreatic ß-cells may contribute to the development of type 2 diabetes. First, failure to increase intracellular Ca(2+ concentrations at the sites of exocytosis impedes insulin release. Furthermore, excessive Ca(2+ influx may trigger cytotoxic effects. The regulation of surface expression of CaV channels in the pancreatic β-cells remains unknown. Here, we used real-time 3D confocal and TIRFM imaging, immunocytochemistry, cellular fractionation, immunoprecipitation and electrophysiology to study trafficking of L-type CaV1.2 channels upon β-cell stimulation. We found decreased surface expression of CaV1.2 and a corresponding reduction in L-type whole-cell Ca(2+ currents in insulin-secreting INS-1 832/13 cells upon protracted (15-30 min stimulation. This internalization occurs by clathrin-dependent endocytosis and could be prevented by microtubule or dynamin inhibitors. eIF3e (Eukaryotic translation initiation factor 3 subunit E is part of the protein translation initiation complex, but its effect on translation are modest and effects in ion channel trafficking have been suggested. The factor interacted with CaV1.2 and regulated CaV1.2 traffic bidirectionally. eIF3e silencing impaired CaV1.2 internalization, which resulted in an increased intracellular Ca(2+ load upon stimulation. These findings provide a mechanism for regulation of L-type CaV channel surface expression with consequences for β-cell calcium homeostasis, which will affect pancreatic β-cell function and insulin production.

Examining factors that influence the effectiveness of cleaning antineoplastic drugs from drug preparation surfaces: a pilot study.

Science.gov (United States)

Hon, Chun-Yip; Chua, Prescillia Ps; Danyluk, Quinn; Astrakianakis, George

2014-06-01

Occupational exposure to antineoplastic drugs has been documented to result in various adverse health effects. Despite the implementation of control measures to minimize exposure, detectable levels of drug residual are still found on hospital work surfaces. Cleaning these surfaces is considered as one means to minimize the exposure potential. However, there are no consistent guiding principles related to cleaning of contaminated surfaces resulting in hospitals to adopt varying practices. As such, this pilot study sought to evaluate current cleaning protocols and identify those factors that were most effective in reducing contamination on drug preparation surfaces. Three cleaning variables were examined: (1) type of cleaning agent (CaviCide®, Phenokil II™, bleach and chlorhexidine), (2) application method of cleaning agent (directly onto surface or indirectly onto a wipe) and (3) use of isopropyl alcohol after cleaning agent application. Known concentrations of antineoplastic drugs (either methotrexate or cyclophosphamide) were placed on a stainless steel swatch and then, systematically, each of the three cleaning variables was tested. Surface wipes were collected and quantified using high-performance liquid chromatography-tandem mass spectrometry to determine the percent residual of drug remaining (with 100% being complete elimination of the drug). No one single cleaning agent proved to be effective in completely eliminating all drug contamination. The method of application had minimal effect on the amount of drug residual. In general, application of isopropyl alcohol after the use of cleaning agent further reduced the level of drug contamination although measureable levels of drug were still found in some cases.

Investigate the electrical and thermal properties of the low temperature resistant silver nanowire fabricated by two-beam laser technique

Science.gov (United States)

He, Gui-Cang; Dong, Xian-Zi; Liu, Jie; Lu, Heng; Zhao, Zhen-Sheng

2018-05-01

A two-beam laser fabrication technique is introduced to fabricate the single silver nanowire (AgNW) on polyethylene terephthalate (PET) substrate. The resistivity of the AgNW is (1.31 ± 0.05) × 10-7 Ω·m, which is about 8 times of the bulk silver resistivity (1.65 × 10-8 Ω·m). The AgNW electrical resistance is measured in temperature range of 10-300 K and fitted with the Bloch-Grüneisen formula. The fitting results show that the residue resistance is 153 Ω, the Debye temperature is 210 K and the electron-phonon coupling constant is (5.72 ± 0.24) × 10-8 Ω·m. Due to the surface scattering, the Debye temperature and the electron-phonon coupling constant are lower than those of bulk silver, and the residue resistance is bigger than that of bulk silver. Thermal conductivity of the single AgNW is calculated in the corresponding temperature range, which is the biggest at the temperature approaching the Debye temperature. The AgNW on PET substrate is the low temperature resistance material and is able to be operated stably at such a low temperature of 10 K.

Fast and anisotropic flexibility-rigidity index for protein flexibility and fluctuation analysis

Energy Technology Data Exchange (ETDEWEB)

Opron, Kristopher [Department of Biochemistry and Molecular Biology, Michigan State University, Michigan 48824 (United States); Xia, Kelin [Department of Mathematics, Michigan State University, Michigan 48824 (United States); Wei, Guo-Wei, E-mail: wei@math.msu.edu [Department of Biochemistry and Molecular Biology, Michigan State University, Michigan 48824 (United States); Department of Mathematics, Michigan State University, Michigan 48824 (United States); Department of Electrical and Computer Engineering, Michigan State University, Michigan 48824 (United States)

2014-06-21

Protein structural fluctuation, typically measured by Debye-Waller factors, or B-factors, is a manifestation of protein flexibility, which strongly correlates to protein function. The flexibility-rigidity index (FRI) is a newly proposed method for the construction of atomic rigidity functions required in the theory of continuum elasticity with atomic rigidity, which is a new multiscale formalism for describing excessively large biomolecular systems. The FRI method analyzes protein rigidity and flexibility and is capable of predicting protein B-factors without resorting to matrix diagonalization. A fundamental assumption used in the FRI is that protein structures are uniquely determined by various internal and external interactions, while the protein functions, such as stability and flexibility, are solely determined by the structure. As such, one can predict protein flexibility without resorting to the protein interaction Hamiltonian. Consequently, bypassing the matrix diagonalization, the original FRI has a computational complexity of O(N{sup 2}). This work introduces a fast FRI (fFRI) algorithm for the flexibility analysis of large macromolecules. The proposed fFRI further reduces the computational complexity to O(N). Additionally, we propose anisotropic FRI (aFRI) algorithms for the analysis of protein collective dynamics. The aFRI algorithms permit adaptive Hessian matrices, from a completely global 3N × 3N matrix to completely local 3 × 3 matrices. These 3 × 3 matrices, despite being calculated locally, also contain non-local correlation information. Eigenvectors obtained from the proposed aFRI algorithms are able to demonstrate collective motions. Moreover, we investigate the performance of FRI by employing four families of radial basis correlation functions. Both parameter optimized and parameter-free FRI methods are explored. Furthermore, we compare the accuracy and efficiency of FRI with some established approaches to flexibility analysis, namely

Surface antigens and potential virulence factors from parasites detected by comparative genomics of perfect amino acid repeats

Directory of Open Access Journals (Sweden)

Adler Joël

2007-12-01

Full Text Available Abstract Background Many parasitic organisms, eukaryotes as well as bacteria, possess surface antigens with amino acid repeats. Making up the interface between host and pathogen such repetitive proteins may be virulence factors involved in immune evasion or cytoadherence. They find immunological applications in serodiagnostics and vaccine development. Here we use proteins which contain perfect repeats as a basis for comparative genomics between parasitic and free-living organisms. Results We have developed Reptile http://reptile.unibe.ch, a program for proteome-wide probabilistic description of perfect repeats in proteins. Parasite proteomes exhibited a large variance regarding the proportion of repeat-containing proteins. Interestingly, there was a good correlation between the percentage of highly repetitive proteins and mean protein length in parasite proteomes, but not at all in the proteomes of free-living eukaryotes. Reptile combined with programs for the prediction of transmembrane domains and GPI-anchoring resulted in an effective tool for in silico identification of potential surface antigens and virulence factors from parasites. Conclusion Systemic surveys for perfect amino acid repeats allowed basic comparisons between free-living and parasitic organisms that were directly applicable to predict proteins of serological and parasitological importance. An on-line tool is available at http://genomics.unibe.ch/dora.

Transforming growth factor (type beta) promotes the addition of chondroitin sulfate chains to the cell surface proteoglycan (syndecan) of mouse mammary epithelia

OpenAIRE

1989-01-01

Cultured monolayers of NMuMG mouse mammary epithelial cells have augmented amounts of cell surface chondroitin sulfate glycosaminoglycan (GAG) when cultured in transforming growth factor-beta (TGF-beta), presumably because of increased synthesis on their cell surface proteoglycan (named syndecan), previously shown to contain chondroitin sulfate and heparan sulfate GAG. This increase occurs throughout the monolayer as shown using soluble thrombospondin as a binding probe. However, comparison o...

Key factors influencing the stability of silane solution during long-term surface treatment on carbon steel

International Nuclear Information System (INIS)

Xian, Xiaochao; Chen, Minglu; Li, Lixin; Lin, Zhen; Xiang, Jun; Zhao, Shuo

2013-01-01

Highlights: •The corrosion-resistance time of silane films decreases with increasing cycle numbers. •The morphology of silane films prepared from aged solution is inhomogeneous. •Introduction of contamination ions is one reason for the poor property of aged solution. •Consumption of silane is the other reason for the poor property of aged solution. •Fe 3+ accumulated is the key factor influencing the property of silane solution. -- Abstract: The mixtures of bis-[trimethoxysilylpropyl]amine and vinyltriacetoxysilane were used for surface treatment of carbon steel, aiming to investigate the factors influencing the stability of silane solution during long-term experiment from two aspects. One is the concentrations of contamination ions, and the other is mass of silane consumed per cycle which is calculated according to concentration of Si measured by silicon molybdenum blue photometry. The results indicate that the accumulation of contamination ions, especially Fe 3+ , is the main factor leading to the condensation between the Si–OH groups in silane solution, which is responsible for the downward stability of silane solution

Influence of collective nonideal shielding on fusion reaction in partially ionized classical nonideal plasmas

Science.gov (United States)

Lee, Myoung-Jae; Jung, Young-Dae

2017-04-01

The collective nonideal effects on the nuclear fusion reaction process are investigated in partially ionized classical nonideal hydrogen plasmas. The effective pseudopotential model taking into account the collective and plasma shielding effects is applied to describe the interaction potential in nonideal plasmas. The analytic expressions of the Sommerfeld parameter, the fusion penetration factor, and the cross section for the nuclear fusion reaction in nonideal plasmas are obtained as functions of the nonideality parameter, Debye length, and relative kinetic energy. It is found that the Sommerfeld parameter is suppressed due to the influence of collective nonideal shielding. However, the collective nonideal shielding is found to enhance the fusion penetration factor in partially ionized classical nonideal plasmas. It is also found that the fusion penetration factors in nonideal plasmas represented by the pseudopotential model are always greater than those in ideal plasmas represented by the Debye-Hückel model. In addition, it is shown that the collective nonideal shielding effect on the fusion penetration factor decreases with an increase of the kinetic energy.

Factors affecting the wettability of different surface materials with vegetable oil at high temperatures and its relation to cleanability

Energy Technology Data Exchange (ETDEWEB)

Ashokkumar, Saranya, E-mail: saras@food.dtu.dk [Accoat A/S, Munkegardsvej 16, 3490 Kvistgard (Denmark); Food Production Engineering, DTU FOOD, Technical University of Denmark, 2800 Kgs. Lyngby (Denmark); Adler-Nissen, Jens [Food Production Engineering, DTU FOOD, Technical University of Denmark, 2800 Kgs. Lyngby (Denmark); Moller, Per [Department of Materials Science and Engineering, DTU Mechanical Engineering, Technical University of Denmark, 2800 Kgs. Lyngby (Denmark)

2012-12-15

contact angle and cleanability. In addition to surface wettability with oil many other factors such as roughness and surface defects play an essential role in determining their cleanability.

High-resolution MRI using orbit surface coils for the evaluation of metastatic risk factors in 143 children with retinoblastoma. Part 1: MRI vs. histopathology

Energy Technology Data Exchange (ETDEWEB)

Sirin, Selma; Schlamann, Marc; Schweiger, Bernd; Goericke, Sophia L. [University Hospital Essen, Department of Diagnostic and Interventional Radiology and Neuroradiology, Essen (Germany); Metz, Klaus A. [University Hospital Essen, Department of Pathology and Neuropathology, Essen (Germany); Bornfeld, Norbert; Holdt, Markus [University Hospital Essen, Department of Ophthalmology, Essen (Germany); Temming, Petra; Schuendeln, Michael M. [University Hospital Essen, Department of Pediatric Hematology and Oncology, Essen (Germany)

2015-08-15

A reliable detection of metastatic risk factors is important for children with retinoblastoma to choose the right therapeutic regimen. First studies using high-resolution magnetic resonance imaging (MRI) with orbit surface coils were promising. The aim of this study was therefore to evaluate the ability of high-resolution MRI to detect metastatic and especially advanced metastatic risk factors in a large group of children with retinoblastoma. One hundred forty-three consecutive children with retinoblastoma (148 enucleated eyes, 64 girls, 79 boys, mean age 19.7 ± 15.3) who received pretherapeutical high-resolution MRI with orbit surface coils on 1.5 T MR scanner systems between 2007 and 2012 and subsequent primary enucleation within 14 days were included in this retrospective study. Image analysis was performed by two neuroradiologists experienced in ocular imaging in consensus. Histopathology served as gold standard. Sensitivity/specificity for the detection of metastatic risk factors using high-resolution MRI with orbit surface coils were 60 %/88.7 % for postlaminar optic nerve infiltration, 65.5 %/95.6 % for choroidal invasion, 100 %/99.3 % for scleral invasion, and 100 %/100 % for peribulbar fat invasion, respectively. The results increased for the detection of advanced metastatic risk factors, 81.8 %/89.1 % for deep postlaminar optic nerve infiltration, 70.6 %/97.6 % for massive choroidal invasion. High-resolution MRI is clinically valuable for the detection of metastatic, especially of advanced metastatic risk factors in children with retinoblastoma. (orig.)

Superhydrophobic surfaces fabricated by surface modification of alumina particles

Science.gov (United States)

Richard, Edna; Aruna, S. T.; Basu, Bharathibai J.

2012-10-01

The fabrication of superhydrophobic surfaces has attracted intense interest because of their widespread potential applications in various industrial fields. Recently, some attempts have been carried out to prepare superhydrophobic surfaces using metal oxide nanoparticles. In the present work, superhydrophobic surfaces were fabricated with low surface energy material on alumina particles with different sizes. It was found that particle size of alumina is an important factor in achieving stable superhydrophobic surface. It was possible to obtain alumina surface with water contact angle (WCA) of 156° and a sliding angle of Superhydrophobicity of the modified alumina is attributed to the combined effect of the micro-nanostructure and low surface energy of fatty acid on the surface. The surface morphology of the alumina powder and coatings was determined by FESEM. The stability of the coatings was assessed by conducting water immersion test. Effect of heat treatment on WCA of the coating was also studied. The transition of alumina from hydrophilic to superhydrophobic state was explained using Wenzel and Cassie models. The method is shown to have potential application for creating superhydrophobic surface on cotton fabrics.

Study of the Relationships between the Spatial Extent of Surface Urban Heat Islands and Urban Characteristic Factors Based on Landsat ETM+ Data

Directory of Open Access Journals (Sweden)

Jinqu Zhang

2008-11-01

Full Text Available Ten cities with different population and urban sizes located in the Pearl River Delta, Guangdong Province, P.R. China were selected to study the relationships between the spatial extent of surface urban heat islands (SUHI and five urban characteristic factors such as urban size, development area, water proportion, mean NDVI (Normalized Vegetation Index and population density, etc. The spatial extent of SUHI was quantified by using the hot island area (HIA. All the cities are almost at the same latitude, showing similar climate and solar radiation, the influence of which could thus be eliminated during our computation and comparative study. The land surface temperatures (LST were retrieved from the data of Landsat 7 Enhanced Thematic Mapper Plus (ETM+ band 6 using a mono-window algorithm. A variance-segmenting method was proposed to compute HIA for each city from the retrieved LST. Factors like urban size, development area and water proportion were extracted directly from the classification images of the same ETM+ data and the population density factor is from the official census. Correlation and regression analyses were performed to study the relationships between the HIA and the related factors, and the results show that HIA is highly correlated to urban size (r=0.95, population density (r=0.97 and development area (r=0.83 in this area. It was also proved that a weak negative correlation existed between HIA and both mean NDVI and water proportion for each city. Linear functions between HIA and its related factors were established, respectively. The HIA can reflect the spatial extent and magnitude of the surface urban heat island effect, and can be used as reference in the urban planning.

Fabrication and characterization of a novel microparticle with gyrus-patterned surface and growth factor delivery for cartilage tissue engineering

Energy Technology Data Exchange (ETDEWEB)

Huang Sha [Department of Oral Histology and Pathology, School of Stomatology, Fourth Military Medical University, Xi' an 710032 (China); Research and Development Center for Tissue Engineering, Fourth Military Medical University, Xi' an 710032 (China); Wang Yijuan [Key Laboratory for Macromolecular Science of Shaanxi Province, Shaanxi Normal University, Xi' an 710062 (China); Liang Tang [Department of Oral Histology and Pathology, School of Stomatology, Fourth Military Medical University, Xi' an 710032 (China); Research and Development Center for Tissue Engineering, Fourth Military Medical University, Xi' an 710032 (China); Jin Fang [Department of Orthodontics, School of Stomatology, Fourth Military Medical University, Xi' an 710032 (China); Liu Shouxin [Key Laboratory for Macromolecular Science of Shaanxi Province, Shaanxi Normal University, Xi' an 710062 (China); Jin Yan, E-mail: yanjin@fmmu.edu.cn [Department of Oral Histology and Pathology, School of Stomatology, Fourth Military Medical University, Xi' an 710032 (China); Research and Development Center for Tissue Engineering, Fourth Military Medical University, Xi' an 710032 (China)

2009-05-05

Microparticles can serve as substrates for cell amplification and deliver the expanded cells to the site of the defect. It was hypothesized that a novel microparticle combined of sustained and localized delivery of proliferative growth factors and gyrus-patterned surface would influence the cell behaviours of adherence and expansion on the microparticle in the present study. To test the hypothesis, gelatin particles with diameter ranging from 280 to 350 {mu}m were fabricated and were modified by cryogenic freeze-drying treatment and basic fibroblast growth factor (bFGF) incorporation. The results of in vitro chondrocyte culture illustrated that cells could proliferate more obviously on the microparticles with bFGF addition, but no correlation between attachment rate and bFGF was observed. On the other hand, microparticles with gyrus-patterned surface demonstrated the highest cell attachment rate and higher rate of cell growth, in particular on bFGF combined ones. It seems to be a promising candidate as a chondrocyte microparticle and could be the potential application in cartilage tissue engineering.

Fabrication and characterization of a novel microparticle with gyrus-patterned surface and growth factor delivery for cartilage tissue engineering

International Nuclear Information System (INIS)

Huang Sha; Wang Yijuan; Liang Tang; Jin Fang; Liu Shouxin; Jin Yan

2009-01-01

Microparticles can serve as substrates for cell amplification and deliver the expanded cells to the site of the defect. It was hypothesized that a novel microparticle combined of sustained and localized delivery of proliferative growth factors and gyrus-patterned surface would influence the cell behaviours of adherence and expansion on the microparticle in the present study. To test the hypothesis, gelatin particles with diameter ranging from 280 to 350 μm were fabricated and were modified by cryogenic freeze-drying treatment and basic fibroblast growth factor (bFGF) incorporation. The results of in vitro chondrocyte culture illustrated that cells could proliferate more obviously on the microparticles with bFGF addition, but no correlation between attachment rate and bFGF was observed. On the other hand, microparticles with gyrus-patterned surface demonstrated the highest cell attachment rate and higher rate of cell growth, in particular on bFGF combined ones. It seems to be a promising candidate as a chondrocyte microparticle and could be the potential application in cartilage tissue engineering.

Correlation potential of a test ion near a strongly charged plate.

Science.gov (United States)

Lu, Bing-Sui; Xing, Xiangjun

2014-03-01

We analytically calculate the correlation potential of a test ion near a strongly charged plate inside a dilute m:-n electrolyte. We do this by calculating the electrostatic Green's function in the presence of a nonlinear background potential, the latter having been obtained using the nonlinear Poisson-Boltzmann theory. We consider the general case where the dielectric constants of the plate and the electrolyte are distinct. The following generic results emerge from our analyses: (1) If the distance to the plate Δz is much larger than a Gouy-Chapman length, the plate surface will behave effectively as an infinitely charged surface, and the dielectric constant of the plate effectively plays no role. (2) If Δz is larger than a Gouy-Chapman length but shorter than a Debye length, the correlation potential can be interpreted in terms of an image charge that is three times larger than the source charge. This behavior is independent of the valences of the ions. (3) The Green's function vanishes inside the plate if the surface charge density is infinitely large; hence the electrostatic potential is constant there. In this respect, a strongly charged plate behaves like a conductor plate. (4) If Δz is smaller than a Gouy-Chapman length, the correlation potential is dominated by the conventional image charge due to the dielectric discontinuity at the interface. (5) If Δz is larger than a Debye length, the leading order behavior of the correlation potential will depend on the valences of the ions in the electrolyte. Furthermore, inside an asymmetric electrolyte, the correlation potential is singly screened, i.e., it undergoes exponential decay with a decay width equal to the Debye length.

A method for sensible heat flux model parameterization based on radiometric surface temperature and environmental factors without involving the parameter KB-1

Science.gov (United States)

Zhuang, Qifeng; Wu, Bingfang; Yan, Nana; Zhu, Weiwei; Xing, Qiang

2016-05-01

Sensible heat flux is a key component of land-atmosphere interaction. In most parameterizations it is calculated with surface-air temperature differences and total aerodynamic resistance to heat transfer (Rae) that is related to the KB-1 parameter. Suitable values are hard to obtain since KB-1 is related both to canopy characteristics and environmental conditions. In this paper, a parameterize method for sensible heat flux over vegetated surfaces (maize field and grass land in the Heihe river basin of northwest China) was proposed based on the radiometric surface temperature, surface resistance (Rs) and vapor pressures (saturated and actual) at the surface and the atmosphere above the canopy. A biophysics-based surface resistance model was revised to compute surface resistance with several environmental factors. The total aerodynamic resistance to heat transfer is directly calculated by combining the biophysics-based surface resistance and vapor pressures. One merit of this method is that the calculation of KB-1 can be avoided. The method provides a new way to estimate sensible heat flux over vegetated surfaces and its performance compares well to the LAS measured sensible heat and other empirical or semi-empirical KB-1 based estimations.

Disease-linked mutations in factor H reveal pivotal role of cofactor activity in self-surface-selective regulation of complement activation.

Science.gov (United States)

Kerr, Heather; Wong, Edwin; Makou, Elisavet; Yang, Yi; Marchbank, Kevin; Kavanagh, David; Richards, Anna; Herbert, Andrew P; Barlow, Paul N

2017-08-11

Spontaneous activation enables the complement system to respond very rapidly to diverse threats. This activation is efficiently suppressed by complement factor H (CFH) on self-surfaces but not on foreign surfaces. The surface selectivity of CFH, a soluble protein containing 20 complement-control protein modules (CCPs 1-20), may be compromised by disease-linked mutations. However, which of the several functions of CFH drives this self-surface selectivity remains unknown. To address this, we expressed human CFH mutants in Pichia pastoris We found that recombinant I62-CFH (protective against age-related macular degeneration) and V62-CFH functioned equivalently, matching or outperforming plasma-derived CFH, whereas R53H-CFH, linked to atypical hemolytic uremic syndrome (aHUS), was defective in C3bBb decay-accelerating activity (DAA) and factor I cofactor activity (CA). The aHUS-linked CCP 19 mutant D1119G-CFH had virtually no CA on (self-like) sheep erythrocytes ( E S ) but retained DAA. The aHUS-linked CCP 20 mutant S1191L/V1197A-CFH (LA-CFH) had dramatically reduced CA on E S but was less compromised in DAA. D1119G-CFH and LA-CFH both performed poorly at preventing complement-mediated hemolysis of E S PspCN, a CFH-binding Streptococcus pneumoniae protein domain, binds CFH tightly and increases accessibility of CCPs 19 and 20. PspCN did not improve the DAA of any CFH variant on E S Conversely, PspCN boosted the CA, on E S , of I62-CFH, R53H-CFH, and LA-CFH and also enhanced hemolysis protection by I62-CFH and LA-CFH. We conclude that CCPs 19 and 20 are critical for efficient CA on self-surfaces but less important for DAA. Exposing CCPs 19 and 20 with PspCN and thus enhancing CA on self-surfaces may reverse deficiencies of some CFH variants. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

On adaptive modified projective synchronization of a supply chain ...

Indian Academy of Sciences (India)

Hamed Tirandaz

2017-11-23

Nov 23, 2017 ... A novel adaptive modified projective synchronization method is ... bances, and so these methods are usually of no use. To ...... [53] S E Fawcett and M A Waller, J. Business Logistics 32(1), ... Research Appl. 12(5), 347 (2009).

Recent advances in coffee berry disease (CBD) control in Uganda

African Journals Online (AJOL)

Waller & Bridge) attacks arabic a coffee in most African arabica coffee growing countries. The disease was first recorded in Uganda in 1959 and surveys on the disease indicated that up to 50% crop losses were being incurred. Most of the ...

Properties of lanthanum hexaboride a compilation

CERN Document Server

Fisher, D J

2013-01-01

Lanthanum hexaboride is useful because it possesses a high melting point (2210C), a low work function, one of the highest known electron emissivities, and is stable in vacuum. This volume summarises the extant data on the properties of this material, including the: bulk modulus, conductivity, crystal structure, Debye temperature, defect structure, elastic constants, electronic structure, emissivity, Fermi surface, hardness, heat capacity, magnetoresistance, reflectivity, resistivity, specific heat, surface structure, thermal conductivity, thermoelectric power, toughness and work function. The

Processing of cell-surface signalling anti-sigma factors prior to signal recognition is aconserved autoproteolytic mechanism that produces two functional domains.

NARCIS (Netherlands)

Bastiaansen, K.C.J.T.; Otero-Asman, J.R.; Luirink, J.; Bitter, W.; Llamas, M.A.

2015-01-01

Cell-surface signalling (CSS) enables Gram-negative bacteria to transduce an environmental signal into a cytosolic response. This regulatory cascade involves an outer membrane receptor that transmits the signal to an anti-sigma factor in the cytoplasmic membrane, allowing the activation of an

Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds

Science.gov (United States)

Tanto, A.; Chihi, T.; Ghebouli, M. A.; Reffas, M.; Fatmi, M.; Ghebouli, B.

2018-06-01

First principles calculations are applied in the study of FeMP (M = Ti, Zr, Hf) compounds. We investigate the structural, elastic, mechanical and electronic properties by combining first-principles calculations with the CASTEP approach. For ideal polycrystalline FeMP (M = Ti, Zr, Hf) the shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy indexes, Pugh's criterion, elastic wave velocities and Debye temperature are also calculated from the single crystal elastic constants. The shear anisotropic factors and anisotropy are obtained from the single crystal elastic constants. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal.

The role of electrostatic interactions in the Streptococcus thermophilus adhesion on human erythrocytes in media with different 1:1 electrolyte concentration

Directory of Open Access Journals (Sweden)

О. І. Гордієнко

2015-10-01

Full Text Available The process of bacterial adhesion is usually discussed in terms of the two-stage sorption model. According to the model, at the first stage the bacteria fastly attaches to the surface by weak physical interactions, while at the second stage irreversible molecular and cellular adhesion process takes place. An important factor, influencing the adhesion processes, is physical-chemical characteristics of the medium, in particular, the presence of monovalent cations therein. The aim of this work is to assess the role of electrostatic component of the intercellular interactions at the first reversible stage of adhesion. Comparison of experimental data of adhesion of lactobacilli S. thermophilus on human erythrocytes and theoretical definition of the Debye radius and the erythrocytes surface potential in the experimental solutions showed that with decreasing ionic strength of the solution the change in the adhesion index in our experiments is fully in line with the theory DLVO predictions.

Ocean Surface Emissivity at L-band (1.4 GHz): The Dependence on Salinity and Roughness

Science.gov (United States)

LeVine, D. M.; Lang, R.; Wentz, F.; Messiner, T.

2012-01-01

A characterization of the emissivity of sea water at L-band is important for the remote sensing of sea surface salinity. Measurements of salinity are currently being made in the radio astronomy band at 1.413 GHz by ESA's Soil Moisture and Ocean Salinity (SMOS) mission and NASA's Aquarius instrument aboard the Aquarius/SAC-D observatory. The goal of both missions is accuracy on the order of 0.1 psu. This requires accurate knowledge of the dielectric constant of sea water as a function of salinity and temperature and also the effect of waves (roughness). The former determines the emissivity of an ideal (i.e. flat) surface and the later is the major source of error from predictions based on a flat surface. These two aspects of the problem of characterizing the emissivity are being addressed in the context of the Aquarius mission. First, laboratory measurements are being made of the dielectric constant of sea water. This is being done at the George Washington University using a resonant cavity. In this technique, sea water of known salinity and temperature is fed into the cavity along its axis through a narrow tube. The sea water changes the resonant frequency and Q of the cavity which, if the sample is small enough, can be related to the dielectric constant of the sample. An extensive set of measurements have been conducted at 1.413 GHz to develop a model for the real and imaginary part of the dielectric constant as a function of salinity and temperature. The results are compared to the predictions of models based on parameterization of the Debye resonance of the water molecule. The models and measurements are close; however, the differences are significant for remote sensing of salinity. This is especially true at low temperatures where the sensitivity to salinity is lowest.

TRIHALOMETHANE LEVELS IN HOME TAP WATER AND SEMEN QUALITY

Science.gov (United States)

Trihalomethane Levels in Home Tap Water and Semen QualityLaura Fenster, 1 Kirsten Waller, 2 Gayle Windham, 1 Tanya Henneman, 2 Meredith Anderson, 2 Pauline Mendola, 3 James W. Overstreet, 4 Shanna H. Swan51California Department of Health Services, Division of Environm...

Light scattering by cubical particle in the WKB approximation

Directory of Open Access Journals (Sweden)

redouane lamsoudi

2017-11-01

Full Text Available In this work, we determined the analytical expressions of the form factor of a cubical particle in the WKB approximation. We adapted some variables (size parameter, refractive index, the scattering angle and found the form factor in the approximation of Rayleigh-Gans-Debye (RGD, Anomalous Diffraction (AD, and determined the efficiency factor of the extinction. Finally, to illustrate our formalism, we analyzed some numerical examples

Factors influencing graphene growth on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Loginova, E; Bartelt, N C; McCarty, K F [Sandia National Laboratories, Livermore, CA (United States); Feibelman, P J [Sandia National Laboratories, Albuquerque, NM (United States)], E-mail: mccarty@sandia.gov

2009-06-15

Graphene forms from a relatively dense, tightly bound C-adatom gas when elemental C is deposited on or segregates to the Ru(0001) surface. Nonlinearity of the graphene growth rate with C-adatom density suggests that growth proceeds by addition of C atom clusters to the graphene edge. The generality of this picture has now been studied by use of low-energy electron microscopy (LEEM) to observe graphene formation when Ru(0001) and Ir(111) surfaces are exposed to ethylene. The finding that graphene growth velocities and nucleation rates on Ru have precisely the same dependence on adatom concentration as for elemental C deposition implies that hydrocarbon decomposition only affects graphene growth through the rate of adatom formation. For ethylene, that rate decreases with increasing adatom concentration and graphene coverage. Initially, graphene growth on Ir(111) is like that on Ru: the growth velocity is the same nonlinear function of adatom concentration (albeit with much smaller equilibrium adatom concentrations, as we explain with DFT calculations of adatom formation energies). In the later stages of growth, graphene crystals that are rotated relative to the initial nuclei nucleate and grow. The rotated nuclei grow much faster. This difference suggests firstly, that the edge-orientation of the graphene sheets relative to the substrate plays an important role in the growth mechanism, and secondly, that attachment of the clusters to the graphene is the slowest step in cluster addition, rather than formation of clusters on the terraces.

Importance of core electrostatic properties on the electrophoresis of a soft particle

Science.gov (United States)

De, Simanta; Bhattacharyya, Somnath; Gopmandal, Partha P.

2016-08-01

The impact of the volumetric charged density of the dielectric rigid core on the electrophoresis of a soft particle is analyzed numerically. The volume charge density of the inner core of a soft particle can arise for a dendrimer structure or bacteriophage MS2. We consider the electrokinetic model based on the conservation principles, thus no conditions for Debye length or applied electric field is imposed. The fluid flow equations are coupled with the ion transport equations and the equation for the electric field. The occurrence of the induced nonuniform surface charge density on the outer surface of the inner core leads to a situation different from the existing analysis of a soft particle electrophoresis. The impact of this induced surface charge density together with the double-layer polarization and relaxation due to ion convection and electromigration is analyzed. The dielectric permittivity and the charge density of the core have a significant impact on the particle electrophoresis when the Debye length is in the order of the particle size. We find that by varying the ionic concentration of the electrolyte, the particle can exhibit reversal in its electrophoretic velocity. The role of the polymer layer softness parameter is addressed in the present analysis.

Laser microtexturing of implant surfaces for enhanced tissue integration

Energy Technology Data Exchange (ETDEWEB)

Ricci, J.L. [Univ. of Medicine and Dentistry of New Jersey, Newark, NJ (United States). Dept. of Orthodontics; Alexander, H. [Orthogen Corp., Springfield, NJ (United States)

2001-07-01

The success or failure of bone and soft tissue-fixed medical devices, such as dental and orthopaedic implants, depends on a complex combination of biological and mechanical factors. These factors are intimately associated with the interface between the implant surface and the surrounding tissue, and are largely determined by the composition, surface chemistry, and surface microgeometry of the implant. The relative contributions of these factors are difficult to assess. This study addresses the contribution of surface microtexture, on a controlled level, to tissue integration. (orig.)

1790-IJBCS-Article-Victor Okombe

African Journals Online (AJOL)

hp

pénaliser les performances zootechniques des animaux et altérer ... en mesure de s'en procurer aisément (Githiori et al., 2002 ... permettre le contrôle des parasitoses animales. (Waller, 1997a ..... complémentaire en gestion des ressources ...

Radiative heat exchange between surfaces

International Nuclear Information System (INIS)

Yener, Y.; Yuncu, H.

1987-01-01

The geometrical features of radiative heat exchange between surfaces are discussed first by developing various radiation shape factor relations. The governing equations for enclosures with diffusely emitting and diffusely reflecting surfaces, as well as the equations for enclosures with gray surfaces having specular component of reflectivity are introduced next. Finally, a simplified model for enclosures with isothermal surfaces under the assumption of uniform radiosity over the surfaces is discussed, and various working relations for different conditions are presented

Effect of design factors on surface temperature and wear in disk brakes

Science.gov (United States)

Santini, J. J.; Kennedy, F. E.; Ling, F. F.

1976-01-01

The temperatures, friction, wear and contact conditions that occur in high energy disk brakes are studied. Surface and near surface temperatures were monitored at various locations in a caliper disk brake during drag type testing, with friction coefficient and wear rates also being determined. The recorded transient temperature distributions in the friction pads and infrared photographs of the rotor disk surface both showed that contact at the friction surface was not uniform, with contact areas constantly shifting due to nonuniform thermal expansion and wear. The effect of external cooling and of design modifications on friction, wear and temperatures was also investigated. It was found that significant decreases in surface temperature and in wear rate can be achieved without a reduction in friction either by slotting the contacting face of the brake pad or by modifying the design of the pad support to improve pad compliance. Both design changes result in more uniform contact conditions on the friction surface.

Impinging Water Droplets on Inclined Glass Surfaces

Energy Technology Data Exchange (ETDEWEB)

Armijo, Kenneth Miguel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lance, Blake [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ho, Clifford K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-09-01

Multiphase computational models and tests of falling water droplets on inclined glass surfaces were developed to investigate the physics of impingement and potential of these droplets to self-clean glass surfaces for photovoltaic modules and heliostats. A multiphase volume-of-fluid model was developed in ANSYS Fluent to simulate the impinging droplets. The simulations considered different droplet sizes (1 mm and 3 mm), tilt angles (0°, 10°, and 45°), droplet velocities (1 m/s and 3 m/s), and wetting characteristics (wetting=47° contact angle and non-wetting = 93° contact angle). Results showed that the spread factor (maximum droplet diameter during impact divided by the initial droplet diameter) decreased with increasing inclination angle due to the reduced normal force on the surface. The hydrophilic surface yielded greater spread factors than the hydrophobic surface in all cases. With regard to impact forces, the greater surface tilt angles yielded lower normal forces, but higher shear forces. Experiments showed that the experimentally observed spread factor (maximum droplet diameter during impact divided by the initial droplet diameter) was significantly larger than the simulated spread factor. Observed spread factors were on the order of 5 - 6 for droplet velocities of ~3 m/s, whereas the simulated spread factors were on the order of 2. Droplets were observed to be mobile following impact only for the cases with 45° tilt angle, which matched the simulations. An interesting phenomenon that was observed was that shortly after being released from the nozzle, the water droplet oscillated (like a trampoline) due to the "snapback" caused by the surface tension of the water droplet being released from the nozzle. This oscillation impacted the velocity immediately after the release. Future work should evaluate the impact of parameters such as tilt angle and surface wettability on the impact of particle/soiling uptake and removal to investigate ways that

Surface tearing modes in tokamaks

International Nuclear Information System (INIS)

Takizuka, Tomonori; Kurita, Gen-ichi; Azumi, Masafumi; Takeda, Tatsuoki

1985-10-01

Surface tearing modes in tokamaks are studied numerically and analytically. The eigenvalue problem is solved to obtain the growth rate and the mode structure. We investigate in detail dependences of the growth rate of the m/n = 2/1 resistive MHD modes on the safety factor at the plasma surface, current profile, wall position, and resistivity. The surface tearing mode moves the plasma surface even when the wall is close to the surface. The stability diagram for these modes is presented. (author)

Stress intensity factors for deep cracks emanating from the corner formed by a hole intersecting a plate surface

Science.gov (United States)

Mcgowan, J. J.; Smith, C. W.

1976-01-01

The stress intensity factors (SIFs) at the end points of flaws emanating from the corner formed by the intersection of a plate with a hole were determined using stress freezing photoelasticity and a numerical technique known as the Taylor series correction method to extract the SIF values from the photoelastic data. The geometries studied were crack depth to thickness ratios of about 0.2, 0.5, and 0.75; crack depth to crack length ratios of about 1.0 to 2.0; and crack length to hole radius ratios of about 0.5 to 2.0. The SIFs were determined at the intersection of the flaw border with the plate surface (KS) and with the edge of the hole (KH). It is shown that extension of a crack emanating from a corner of intersection of a hole with a plate under monotonically increasing load is not self-similar and that as the flaw depth increases, KH decreases and KS increases. Existing theories and design criteria significantly overestimate the SIF at both the hole and the surface except for shallow flaws at the hole and deep flaws at the surface.

Elucidation of spin echo small angle neutron scattering correlation functions through model studies.

Science.gov (United States)

Shew, Chwen-Yang; Chen, Wei-Ren

2012-02-14

Several single-modal Debye correlation functions to approximate part of the overall Debey correlation function of liquids are closely examined for elucidating their behavior in the corresponding spin echo small angle neutron scattering (SESANS) correlation functions. We find that the maximum length scale of a Debye correlation function is identical to that of its SESANS correlation function. For discrete Debye correlation functions, the peak of SESANS correlation function emerges at their first discrete point, whereas for continuous Debye correlation functions with greater width, the peak position shifts to a greater value. In both cases, the intensity and shape of the peak of the SESANS correlation function are determined by the width of the Debye correlation functions. Furthermore, we mimic the intramolecular and intermolecular Debye correlation functions of liquids composed of interacting particles based on a simple model to elucidate their competition in the SESANS correlation function. Our calculations show that the first local minimum of a SESANS correlation function can be negative and positive. By adjusting the spatial distribution of the intermolecular Debye function in the model, the calculated SESANS spectra exhibit the profile consistent with that of hard-sphere and sticky-hard-sphere liquids predicted by more sophisticated liquid state theory and computer simulation. © 2012 American Institute of Physics

Local atomic structure in tetragonal pure ZrO{sub 2} nanopowders

Energy Technology Data Exchange (ETDEWEB)

Acuna, Leandro M.; Lamas, Diego G.; Fuentes, Rodolfo O.; Fabregas, Ismael O. [CITEFA-CONICET, Villa Martelli, Provincia de Buenos Aires (AR). CINSO (Centro de Investigaciones en Solidos); Fantini, Marcia C.A.; Craievich, Aldo F. [Universidade de Sao Paulo (Brazil). Inst. de Fisica; Prado, Rogerio J. [Universidade Federal de Mato Grosso (UFMT), Cuiaba (Brazil). Inst. de Fisica

2010-04-15

The local atomic structures around the Zr atom of pure (undoped) ZrO{sub 2} nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wetchemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO{sub 2} nanopowders can be described by a model consisting of two oxygen subshells (4+4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4+2+2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments. (orig.)

Transport coefficients for electrolytes in arbitrarily shaped nano- and microfluidic channels

DEFF Research Database (Denmark)

Mortensen, Niels Asger; Olesen, Laurits Højgaard; Bruus, Henrik

2006-01-01

for the hydraulic and electrical transport coefficients which satisfy Onsager relations. In the limit of non-overlapping Debye layers, the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the geometrical correction factor for the Hagen-Poiseuille part of the problem....... In particular, we consider the limits of thin non-overlapping as well as strongly overlapping Debye layers, respectively, and calculate the corrections to the hydraulic resistance due to electro-hydrodynamic interactions.......We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electro-osmosis. We use a Hilbert space eigenfunction expansion to address the general problem of an arbitrary cross-section and obtain general results in linear-response theory...

WA Smith: LP Vosloo, CH van Niekerkand FP Theron Gossypol, a ...

African Journals Online (AJOL)

with the semen of boars (Tso & Lee, 1981), rodents (Hahn,. Rusticus, Probst, Homm & Johnson, 1981), monkeys ... enzymes (Lee & MaIling, 1981; Tso & Lee, 1981;Kennedy, van der Ven, Straus, Bhattacharyya, Waller, ... 1973), Lindsey, Hawkins & Guthrie (1980) showed that diets supplying 24 g free gossypol per lactating ...

75 FR 11884 - Pesticide Products; Registration Applications

Science.gov (United States)

2010-03-12

... entities may include, but are not limited to: Crop production (NAICS code 111). Animal production (NAICS.... Proposed Uses: Edible podded beans, cane & bush berry, bulb onion, green onion, spinach subgroups. Contact... podded beans, cane & bush berry, bulb onion, green onion, spinach subgroups. Contact: Mary L. Waller...

IDRC Pre-ICN Forum on Competition and Development Tuesday 17 ...

International Development Research Centre (IDRC) Digital Library (Canada)

msandilands

2011-05-17

May 17, 2011 ... 09.15 – 10.45 Session 1: The general case for alliance building ... relationship between corporate governance and a firm's competitive behaviour, ... Spencer Weber Waller, Director, Institute of Consumer Anti-Trust Studies, Loyola University ... tools for enforcement: the case of the remittance transfer market.

Sliding surface searching method for slopes containing a potential weak structural surface

Directory of Open Access Journals (Sweden)

Aijun Yao

2014-06-01

Full Text Available Weak structural surface is one of the key factors controlling the stability of slopes. The stability of rock slopes is in general concerned with set of discontinuities. However, in soft rocks, failure can occur along surfaces approaching to a circular failure surface. To better understand the position of potential sliding surface, a new method called simplex-finite stochastic tracking method is proposed. This method basically divides sliding surface into two parts: one is described by smooth curve obtained by random searching, the other one is polyline formed by the weak structural surface. Single or multiple sliding surfaces can be considered, and consequently several types of combined sliding surfaces can be simulated. The paper will adopt the arc-polyline to simulate potential sliding surface and analyze the searching process of sliding surface. Accordingly, software for slope stability analysis using this method was developed and applied in real cases. The results show that, using simplex-finite stochastic tracking method, it is possible to locate the position of a potential sliding surface in the slope.

Peter Debye and Electrochemistry

Indian Academy of Sciences (India)

however, remember him for the Debye–Hückel limiting law that describes the behavior ... ing the non-ideal behavior of strong electrolytes, his math- ematical treatment ... and the diffraction of X-rays and electrons in gases, he is best known to ...

Peter Debye and Electrochemistry

Indian Academy of Sciences (India)

Author Affiliations. A K Shukla1 T Prem Kumar2. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India. Electrochemical Power Systems Division Central Electrochemical Research Institute (CSIR) Karaikudi 630006, India.

DIGITAL FLOOD INSURANCE RATE MAP DATABASE, WALLER COUNTY, TX

Data.gov (United States)

Federal Emergency Management Agency, Department of Homeland Security — The Digital Flood Insurance Rate Map (DFIRM) Database depicts flood risk information and supporting data used to develop the risk data. The primary risk...

Freedom Food : op de bres voor het welzijn van landbouwhuisdieren in het Verenigd Koninkrijk

NARCIS (Netherlands)

Waller, B.; Heijden, van der P.G.M.

2009-01-01

Op 11 december 2008 gaf Bob Waller tijdens de NGVA thema-avond een presentatie met als titel "Fork naar Farm; Maatschappelijke visies op aquacultuur". Freedom Food is een organisatie die tot doel heeft het welzijnprogramma van het Royal Society for the Prevention of Cruelty to Animals - (RSPCA), de

Injury-related South African mortality children, 1981 -1985

African Journals Online (AJOL)

1474. 6880. 427. % due to injury. 8,1. 49,5. 14,4. 26,7. Rank order of injury as cause of death. 5. 1. 3 .... Eleven per cent were 'accidental' and 9% were uicide. Discussion. Deaths are known to ..... SAS Institute Inc., 1985. 18. Waller AE, Baker ...