Showing papers on "Debye published in 2013"

Heterogeneous shear elasticity of glasses: the origin of the boson peak.

Abstract: The local elasticity of glasses is known to be inhomogeneous on a microscopic scale compared to that of crystalline materials. Their vibrational spectrum strongly deviates from that expected from Debye's elasticity theory: The density of states deviates from Debye's law, the sound velocity shows a negative dispersion in the boson-peak frequency regime and there is a strong increase of the sound attenuation near the boson-peak frequency. By comparing a mean-field theory of shear-elastic heterogeneity with a large-scale simulation of a soft-sphere glass we demonstrate that the observed anomalies in glasses are caused by elastic heterogeneity. By observing that the macroscopic bulk modulus is frequency independent we show that the boson-peak-related vibrational anomalies are predominantly due to the spatially fluctuating microscopic shear stresses. It is demonstrated that the boson-peak arises from the steep increase of the sound attenuation at a frequency which marks the transition from wave-like excitations to disorder-dominated ones.

Thermal width and quarkonium dissociation by inelastic parton scattering

Abstract: In a weak-coupling effective field theory framework we study quarkonium dis-sociation induced by inelastic scattering with partons in the medium. This is the dominant dissociation process for temperatures such that the Debye mass is larger than the binding energy. We evaluate the dissociation cross section and the corresponding thermal decay width. At leading order we derive a convolution formula relating the two, which is consistent with the optical theorem and QCD at finite temperature. Bound state effects are systematically included. They add contributions to the cross section and width that are beyond a quasi-free approximation, whose validity is critically reviewed. For temperatures such that the Debye mass is smaller than the binding energy, the dominant dissociation mechanism is gluo-dissociation consisting in quarkonium dissociation induced by the absorbtion of a gluon from the medium. We calculate the gluo-dissociation cross section and width at next-to-leading-order accuracy.

Modeling Human Head at Microwave Frequencies Using Optimized Debye Models and FDTD Method

Abstract: Debye models for tissues found in the human head are presented. The parameters of the Debye models are optimized to measured data of different head tissues. Excellent consistency over the frequency band from 0.1 GHz to 5 GHz is shown with improved accuracy compared to current models using the Cole-Cole approximation. The auxiliary differential-equation based method is used to incorporate the derived models into a finite-difference time-domain program. The validity of the derived models are verified by comparing the fields produced in a realistic 2-D phantom head using a finite-difference time-domain program with the proposed Debye models, and a method of moments solver.

Dynamics of glass-forming liquids. XVII. Dielectric relaxation and intermolecular association in a series of isomeric octyl alcohols.

Abstract: It is well established that many mono-hydroxy alcohols show an extra relaxation process of the Debye type in addition to the signatures of primary and secondary structural relaxations, which is observed only in dielectric spectroscopy and related techniques. In order to gain further insight into the nature of this Debye peak, we study the linear and nonlinear dielectric behavior of a series of isomeric octyl alcohols and of mixtures of n-propanol with one of the octanols. These samples display systematic variations of the Debye peak intensity and concomitant changes in the Kirkwood correlation factor gK from 0.1 to 4, indicative of different equilibrium constants, K(c∕r), that characterize the populations of non-polar ring and polar open chain structures. For cases where K(c∕r) is not too far from unity, we find that a high electric field shifts K(c∕r) towards more chains, and that the accompanying change in the end-to-end vector of hydrogen-bond connected structures occurs on the Debye time scale. The results suggest that gK is correlated with the spectral separation of the Debye and primary structural peaks, as both features depend on steric hindrance of chain flexibility or bond rotation barriers and on average chain lengths. Based on the complex dynamics of supercooled mono-hydroxy alcohols with three relaxation peaks that cover many orders of magnitude in frequency, it is argued that a frequency dependent gK may be required for assessing the average orientational correlations within hydrogen-bonded structures correctly.

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

Abstract: 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.

Cylindrical lenses—focusing and imaging: a review [Invited]

Abstract: Focusing by an aberration-free cylindrical lens is analyzed in the paraxial Fresnel and Debye approximations, and expressions are given. Plots are given for the intensity in the focal region, the defocused optical transfer function (OTF), the generalized OTF, and the ambiguity function and are compared with the case of an aberration-free spherical lens. Nonparaxial lenses are also discussed.

Evidence of Large-Scale Quantization in Space Plasmas

Abstract: In plasmas, Debye screening structures the possible correlations between particles. We identify a phase space minimum h* in non-equilibrium space plasmas that connects the energy of particles in a Debye sphere to an equivalent wave frequency. In particular, while there is no a priori reason to expect a single value of h* across plasmas, we find a very similar value of h* ≈ (7.5 ± 2.4)×10−22 J·s using four independent methods: (1) Ulysses solar wind measurements, (2) space plasmas that typically reside in stationary states out of thermal equilibrium and spanning a broad range of physical properties, (3) an entropic limit emerging from statistical mechanics, (4) waiting-time distributions of explosive events in space plasmas. Finding a quasi-constant value for the phase space minimum in a variety of different plasmas, similar to the classical Planck constant but 12 orders of magnitude larger may be revealing a new type of quantization in many plasmas and correlated systems more generally.

Temperature dependence of the dielectric constant of acrylic dielectric elastomer

Abstract: The dielectric constant is an essential electrical parameter to the achievable voltage-induced deformation of the dielectric elastomer. This paper primarily focuses on the temperature dependence of the dielectric constant (within the range of 173 K to 373 K) for the most widely used acrylic dielectric elastomer (VHB 4910). First the dielectric constant was investigated experimentally with the broadband dielectric spectrometer (BDS). Results showed that the dielectric constant first increased with temperature up to a peak value and then dropped to a relative small value. Then by analyzing the fitted curves, the Cole–Cole dispersion equation was found better to characterize the rising process before the peak values than the Debye dispersion equation, while the decrease process afterward can be well described by the simple Debye model. Finally, a mathematical model of dielectric constant of VHB 4910 was obtained from the fitted results which can be used to further probe the electromechanical stability of the dielectric elastomers.

Hydrodynamic flow in the vicinity of a nanopore induced by an applied voltage

Abstract: Continuum simulation is employed to study ion transport and fluid flow through a nanopore in a solid-state membrane under an applied potential drop. The results show the existence of concentration polarization layers on the surfaces of the membrane. The nonuniformity of the ionic distribution gives rise to an electric pressure that drives vortical motion in the fluid. There is also a net hydrodynamic flow through the nanopore due to an asymmetry induced by the membrane surface charge. The qualitative behavior is similar to that observed in a previous study using molecular dynamic simulations. The current-voltage characteristics show some nonlinear features but are not greatly affected by the hydrodynamic flow in the parameter regime studied. In the limit of thin Debye layers, the electric resistance of the system can be characterized using an equivalent circuit with lumped parameters. Generation of vorticity can be understood qualitatively from elementary considerations of the Maxwell stresses. However, the flow strength is a strongly nonlinear function of the applied field. Combination of electrophoretic and hydrodynamic effects can lead to ion selectivity in terms of valences and this could have some practical applications in separations.

Multirelaxation Generalized Refractive Mixing Dielectric Model of Moist Soils

Abstract: In this letter, a multirelaxation generalized refractive mixing dielectric model (GRMDM) for moist soil is proposed and substantiated in the frequency range from 0.04 to 26.5 GHz. This model is based on the methodology of a single-relaxation GRMDM which accounts only for the dipole relaxation of water molecules in the gigahertz frequency range. The proposed multirelaxation GRMDM takes into account both the dipole (Debye) and ionic (Maxwell-Wagner) relaxations of soil water molecules. For this purpose, it uses a two-frequency Debye relaxation equation for the dielectric spectra of bound water. The spectroscopic parameters of the multirelaxation GRMDM were derived by fitting the spectra calculated by this model to the respective measured ones. The main advantage of this model is that it predicts the complex dielectric constant of moist soils throughout the megahertz and gigahertz frequency ranges with the same error as the single-relaxation GRMDM does only in the gigahertz range.

First‐Principles Study of Elastic, Structural, Electronic, Thermodynamical, and Optical Properties of Yttria (Y2O3) Ceramic in Cubic Phase

Abstract: Structural, elastic, optical, thermodynamical, and electronic properties of yttrium oxide compound in cubic phase have been studied using the full-potential augmented plane waves (FP-LAPW) within density functional theory (DFT) framework. Four different approximations were used for exchange-correlation potentials terms, comprised Perdew–Burke–Ernzerhof generalized parameterization of gradient approximation (GGA-PBE), Wu–Cohen (WC-GGA), local-density approximation (LDA), and new approximation modified Becke and Johnson (mBJ-GGA). The structural properties such as equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method. Moreover, Elastic constants, Young's modulus, shear modulus, Poisson's ratio, sound velocities for longitudinal and shear waves, Debye average velocity, Debye temperature, and Gruneisen parameters have been calculated. Obtained structural, elastic and other parameters are consistent with experimental data. Moreover pressure dependence of the elastic moduli was studied. From electronic calculations, it has been found that the band gap was 5.7 eV at Г point in the Brillouin zone using mBJ-GGA approximation. Optical properties, such as the dielectric function, refractive index, extinction index, and optical band gap, were calculated for radiation up to 14 eV. In addition, the unique type of bonding in Y2O3 was discussed by three method including effective charge, B/G ratio, and charge density distribution.

Investigation of charge transfer and ionization in He-like systems (Li+, Be2+, B3+, C4+, N5+, O6+)-hydrogen atom collisions in Debye plasmas

Abstract: The charge transfer and ionization cross sections have been calculated for He-like system (Li+, Be2+, B3+, C4+, N5+, O6+) and hydrogen atom collisions in Debye plasmas for energies ranging from 1 to 500 keV using the classical trajectory Monte Carlo method. Interactions of the active electrons with the projectile ions have been described by model potentials. Cross sections are determined in both screening and unscreening environments, and a comparative study between both environments has been carried out. In particular, an interesting feature of sudden increase in the ionization cross sections at lower velocities is also observed in all the systems like pandey et al. [M. K. Pandey et al., Phys. Plasmas 19, 062104 (2012)] calculations for O8+ + H collision. The feature of sudden increase in ionization cross sections at lower velocities and the effect of plasmas condition on it are explained in terms of the classical trajectory framework. We have found the cross sections for both capture and ionization are dependence on Debye screening lengths throughout the collision energies range, but are particularly pronounced at low projectile collisions energies. The calculated cross sections for the unscreened case are found in reasonable agreement with available experimental and theoretical results.

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

Abstract: 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.

Electron cooling and debye-waller effect in photoexcited bismuth.

Abstract: By means of first principles calculations, we compute the effective electron-phonon coupling constant G(0) governing the electron cooling in photoexcited bismuth. G(0) strongly increases as a function of electron temperature, which can be traced back to the semimetallic nature of bismuth. We also use a thermodynamical model to compute the time evolution of both electron and lattice temperatures following laser excitation. Thereby, we simulate the time evolution of (1 -1 0), (-2 1 1) and (2 -2 0) Bragg peak intensities measured by Sciaini et al. [Nature (London) 458, 56 (2009)] in femtosecond electron diffraction experiments. The effect of the electron temperature on the Debye-Waller factors through the softening of all optical modes across the whole Brillouin zone turns out to be crucial to reproduce the time evolution of these Bragg peak intensities.

Electrokinetic flows about conducting drops

Abstract: We consider electrokinetic flows about a freely suspended liquid drop, deriving a macroscale description in the thin-double-layer limit where the ratio between Debye width and drop size is asymptotically small. In this description, the electrokinetic transport occurring within the diffuse part of the double layer (the ‘Debye layer’) is represented by effective boundary conditions governing the pertinent fields in the electro-neutral bulk, wherein the generally non-uniform distribution of , the dimensionless zeta potential, is a priori unknown. We focus upon highly conducting drops. Since the tangential electric field vanishes at the drop surface, the viscous stress associated with Debye-scale shear, driven by Coulomb body forces, cannot be balanced locally by Maxwell stresses. The requirement of microscale stress continuity therefore brings about a unique velocity scaling, where the standard electrokinetic scale is amplified by a factor. This reflects a transition from slip-driven electro-osmotic flows to shear-induced motion. The macroscale boundary conditions display distinct features reflecting this unique scaling. The effective shear-continuity condition introduces a Lippmann-type stress jump, appearing as a product of the local charge density and electric field. This term, representing the excess Debye-layer shear, follows here from a systematic coarse-graining procedure starting from the exact microscale description, rather than from thermodynamic considerations. The Neumann condition governing the bulk electric field is inhomogeneous, representing asymptotic matching with transverse ionic fluxes emanating from the Debye layer; these fluxes, in turn, are associated with non-uniform tangential ‘surface’ currents within this layer. Their appearance at leading order is a manifestation of dominant advection associated with the large velocity scale. For weak fields, the linearized macroscale equations admit an analytic solution, yielding a closed-form expression for the electrophoretic velocity. When scaled by Smoluchowski’s speed, it reads wherein , the ‘drop zeta potential’, is the uniform value of in the absence of an applied field, the ratio of drop to electrolyte viscosities, and the ionic drag coefficient. The difference from solid-particle electrophoresis is manifested in two key features: the scaling, and the effect of ionic advection, as represented by the appearance of . Remarkably, our result differs from the small- limit of the mobility expression predicted by the weak-field model of Ohshima, Healy & White (J. Chem. Soc. Faraday Trans. 2, vol. 80, 1984, pp. 1643–1667). This discrepancy is related to the dominance of advection on the bulk scale, even for weak fields, which feature cannot be captured by a linear theory. The order of the respective limits of thin double layers and weak applied fields is not interchangeable.

The boson peak

Abstract: The vibrational properties of glasses in the THz range differ very much from what is expected from Debye's elasticity theory: the density of states (DOS) deviates from Debye's ω2 law [the “boson peak” (BP)], the sound velocity shows a negative dispersion in the BP frequency regime and there is a strong increase in the sound attenuation near the BP frequency These anomalies are related to an anomalous temperature dependence of the specific heat and thermal conductivity in the 10 K regime An overview of the heterogeneous-elasticity theory is given, by means of which all these anomalies can be explained and shown to arise from the structural disorder, leading to spatial fluctuations of the shear modulus Further, a very general model-independent explanation of the BP-related anomalies, based solely on symmetry arguments, is given

Vibrational anomalies and marginal stability of glasses

Abstract: The experimentally measured vibrational spectrum of glasses strongly deviates from that expected in Debye’s elasticity theory: The density of states deviates from Debye’s ω2 law (“boson peak”), the sound velocity shows a negative dispersion in the boson-peak frequency regime, and there is a strong increase in the sound attenuation near the boson-peak frequency. A generalized elasticity theory is presented, based on the model assumption that the shear modulus of the disordered medium fluctuates randomly in space. The fluctuations are assumed to be uncorrelated and have a certain distribution (Gaussian or otherwise). Using field-theoretical techniques one is able to derive mean-field theories for the vibrational spectrum of a disordered system. The theory based on a Gaussian distribution uses a self-consistent Born approximation (SCBA),while the theory for non-Gaussian distributions is based on a coherent-potential approximation (CPA). Both approximate theories appear to be saddle-point approximations of effective replica field theories. The theory gives a satisfactory explanation of the vibrational anomalies in glasses. Excellent agreement of the SCBA theory with simulation data on a soft-sphere glass is reached. Since the SCBA is based on a Gaussian distribution of local shear moduli, including negative values, this theory describes a shear instability as a function of the variance of shear fluctuations. In the vicinity of this instability, a fractal frequency dependence of the density of states and the sound attenuation ∝ ω1+a is predicted with a ≲ 1/2. Such a frequency dependence is indeed observed both in simulations and in experimental data. We argue that the observed frequency dependence stems from marginally stable regions in a glass and discuss these findings in terms of rigidity percolation.

Simulations of X‐Ray Scattering on Two‐Dimensional, Graphitic and Turbostratic Carbon Structures

Abstract: Simulations of scattered intensity distributions from two and three dimensional carbon structures of different shapes and sizes were done using the general Debye scattering equation. The influence of the lattice defects typical for the turbostratic structure, i.e., random fluctuations in the parallel layer spacings, random lateral translations of graphitic layers and mutual disorientations of individual parallel layers around the layers normal direction, on the resulting simulated scattered intensities were studied and discussed. The microstructure-induced changes in the line broadening, in the shape parameter in the Scherrer formula and in the lattice parameters determined from the positions of the X-ray diffraction lines are discussed in particular. The set of presented Scherrer parameters allows the calculation of the cluster sizes along and normal to the basal planes from the measured X-ray scattering. The reliability of the Warren–Bodenstein approach for scattering on turbostratic carbon structures was proven. Intensity distributions simulated using the Warren–Bodenstein approach were compared to those obtained using the general Debye scattering equation. It was confirmed that both approaches yield, for particular cluster size, similar results.

Thermophoresis of charged colloidal rods

Abstract: The thermal diffusion behavior of dilute solutions of very long and thin, charged colloidal rods (fd-virus particles) is studied using a holographic grating technique. The Soret coefficient of the charged colloids is measured as a function of the Debye screening length, as well as the rod-concentration. The Soret coefficient of the fd-viruses increases monotonically with increasing Debye length, while there is a relatively weak dependence on the rod-concentration when the ionic strength is kept constant. An existing theory for thermal diffusion of charged spheres is extended to describe the thermal diffusion of long and thin charged rods, leading to an expression for the Soret coefficient in terms of the Debye length, the rod-core dimensions, and the surface charge density. The thermal diffusion coefficient of a charged colloidal rod is shown to be accurately represented, for arbitrary Debye lengths, by a superposition of spherical beads with the same diameter of the rod and the same surface charge density. The experimental Soret coefficients are compared with this and other theories, and are contrasted against the thermal diffusion behaviour of charged colloidal spheres.

Assessment of thermal expansion coefficient for pure metals

Abstract: In this paper, thermal expansion coefficients of 42 pure metallic elements were evaluated on the basis of empirical and theoretical methods and the adjusted Debye–Gruneisen model. In Debye–Gruneisen model, Debye temperature was regarded as an undetermined constant. Parameters in the model were determined via the nonlinear least square fit method through MATLAB program. Besides, for pure metallic elements with phase transition, segment fitting can be realized and the computational results fit experimental data well; meanwhile, reliable forecast for high-temperature or low-temperature thermal expansion can be provided, and a set of average Debye temperatures based on thermal expansion coefficients have been obtained.

How do high pressures change the Debye process of 4-methyl-3-heptanol?

Abstract: 4-methyl-3-heptanol, a monohydroxy alcohol with a relatively small dielectric Debye process, is studied in wide ranges of temperature (143 K < T < 308 K) and pressure (0.1 MPa < p < 864 MPa). When monitored under isochronous conditions, i.e., focusing on constant relaxation times, as well as under isothermal conditions, the Debye process gains significant intensity upon pressure application. This behavior contrasts with that of the previously studied octanol 2-ethyl-1-hexanol, which features a large Debye process. These experimentally observed, clearly distinguishable pressure evolutions are discussed to reflect differences in the formation of hydrogen-bonded supramolecular structures.

Charge Density Analysis of an Organic Ferroelectric. Croconic Acid: an Experimental and Theoretical Study

Abstract: The charge density in the high density (ρ = 1.912 g·cm–3) organic ferroelectric, croconic acid, was determined from low temperature (20 K) X-ray diffraction data, and DFT theoretical calculations. The high density was associated with strong intermolecular interaction energies. The spontaneous polarization is correlated with the derived molecular dipole moment (9.3 Debye). Improvements in multipole refinement protocols are described. Limitations in the multipole model with respect to heteronuclear bond properties are discussed.

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

Abstract: 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.

Ultrafast terahertz-field-induced dynamics of superconducting bulk and quasi-1D samples

Abstract: Within a density-matrix formalism based on the Bardeen–Cooper–Schrieffer (BCS) model and the Bogoliubov–de Gennes equations we provide a description of the dynamics of the non-equilibrium superconducting pairing induced by a terahertz (THz) laser pulse in bulk and quasi-one-dimensional (1D) samples of conventional (BCS-type) superconductors. A cross-over from an adiabatic to a non-adiabatic regime takes place for short and intense THz pulses. In the non-adiabatic regime, the order parameter performs a damped oscillation. We discuss how the parameters of the THz pulse influence the amplitude and the mean value of the oscillation in bulk samples. It is demonstrated that for high intensities the non-adiabatic regime can be reached even for pulses longer than the oscillation period. For the 1D samples we find that the oscillation may attenuate with a different power law. This is analysed by comparing the THz-induced dynamics with the dynamics induced by a sudden switching of the pairing strength, which exhibits essentially the same behaviour. The numerical calculations show that the exponent of the power law depends critically on the density of states in the Debye window and therefore changes in an oscillatory way with the confinement strength. Irregularities in the decay of the oscillation are predicted when the 1D quantum wire is cut short to an elongated zero-dimensional quantum dot structure.

Communication: Synperiplanar to antiperiplanar conformation changes as underlying the mechanism of Debye process in supercooled ibuprofen.

Abstract: In this Communication, we present experimental studies that put new insight into the puzzling nature of the Debye relaxation found in the supercooled liquid state of racemic ibuprofen. The appearance of D-relaxation in the loss spectra of non-hydrogen bonding methylated derivate of ibuprofen has proven that Debye relaxation is related solely with conformational changes of the carboxyl group, termed in this paper as synperiplanar-antiperiplanar. Our studies indicate that the presence of hydrogen bonding capabilities is not here the necessary condition to observe Debye process, however, their occurrence might strongly influence α- and D-relaxations dynamics. Interestingly, the activation energy of the D-process in ibuprofen methyl ester on approaching Tg was found to be perfectly consistent with that reported for ibuprofen by Affouard and Correia [J. Phys. Chem. B 114, 11397–11402 (2010)] (∼39 kJ/mol). Finally, IR measurements suggest that the equilibrium between conformers concentration depends on time and...