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At least 649 records · Page 36

Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H{sub 2}O

We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K{sup −2}V ) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K{sup −2}V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗

Interpreting the nonlinear dielectric response of glass-formers in terms of the coupling model

Nonlinear dielectric measurements at high electric fields of glass-forming glycerol and propylene carbonate initially were carried out to elucidate the dynamic heterogeneous nature of the structural α-relaxation. Recently, the measurements were extended to sufficiently high frequencies to investigate the nonlinear dielectric response of faster processes including the so-called excess wing (EW), appearing as a second power law at high frequencies in the loss spectra of many glass formers without a resolved secondary relaxation. While a strong increase of dielectric constant and loss is found in the nonlinear dielectric response of the α-relaxation, there is a lack of significant change in the EW. A surprise to the experimentalists finding it, this difference in the nonlinear dielectric properties between the EW and the α-relaxation is explained in the framework of the coupling model by identifying the EW investigated with the nearly constant loss (NCL) of caged molecules, originating from the anharmonicity of the intermolecular potential. The NCL is terminated at longer times (lower frequencies) by the onset of the primitive relaxation, which is followed sequentially by relaxation processes involving increasing number of molecules until the terminal Kohlrausch α-relaxation is reached. These intermediate faster relaxations, combined to form the so-called Johari-Goldstein (JG) β-relaxation, are spatially and dynamically heterogeneous, and hence exhibit nonlinear dielectric effects, as found in glycerol and propylene carbonate, where the JG β-relaxation is not resolved and in D-sorbitol where it is resolved. Like the linear susceptibility, χ{sub 1}(f), the frequency dispersion of the third-order dielectric susceptibility, χ{sub 3}(f), was found to depend primarily on the α-relaxation time, and independent of temperature T and pressure P. I show this property of the frequency dispersions of χ{sub 1}(f) and χ{sub 3}(f) is the characteristic of the many-body relaxation dynamics of interacting systems which are governed solely by the intermolecular potential, and thermodynamic condition plays no role in this respect. Although linked to χ{sub 3}(f), dynamic heterogeneity is one of the parallel consequences of the many-body dynamics, and it should not be considered as the principal control parameter for the other dynamic properties of glassforming systems. Results same as χ{sub 3}(f) at elevated pressures had been obtained before by molecular dynamics simulations from the four-points correlation function and the intermediate scattering function. Naturally all properties obtained from the computer experiment, including dynamics heterogeneity, frequency dispersion, the relation between the α- and JG β-relaxation, and the breakdown of the Stokes-Einstein relation, are parallel consequences of the many-body relaxation dynamics governed by the intermolecular potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interpretation of thermal conductivity in LaFeAsO at low temperatures

Thermal conductivity κ(T) of LaFeAsO is theoretically investigated below the spin density wave (SDW) anomaly. The lattice contribution to the thermal conductivity (κ{sub ph}) is discussed within the Debye-type relaxation rate approximation in terms of the acoustic phonon frequency and relaxation time below 150 K. The theory is formulated when heat transfer is limited by the scattering of phonons from defects, grain boundaries, charge carriers, and phonons. The lattice thermal conductivity dominates in LaFeAsO and is an artifact of strong phonon-impurity and -phonon scattering mechanism. Our result indicates that the maximum contribution comes from phonon scatters and various thermal scattering mechanisms provide a reasonable explanation for maximum appeared in κ (T)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interpretation of optical conductivity of zinc oxide nanowires

The frequency dependent optical response of Zinc Oxide (ZnO) nanowires is theoretically analyzed within the two component schemes: one is the motion of coherent Drude electrons within the ZnO nanowire and the other is incoherent motion of electrons from one nanowire to other. The model has only one free parameter, the relaxation rate. The frequency dependent relaxation rates are expressed in terms of memory functions. The coherent Drude carriers form a sharp peak at zero frequency and a long tail at higher frequencies, i.e. in the infrared region. However, the hopping of carriers from one nanowire to other (incoherent motion of electrons) yields a peak value in the optical conductivity around mid infrared region. It is found that both the Drude and hopping carriers will contribute to the optical process of conduction in ZnO nanowire.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observation and interpretation of energy efficient, diffuse direct current glow discharge at atmospheric pressure

A diffuse direct-current glow discharge was realized with low energy consumption and high energy utilization efficiency at atmospheric pressure. The formation of diffuse discharge was demonstrated by examining and comparing the electrical properties and optical emissions of plasmas. In combination with theoretical derivation and calculation, we draw guidelines that appearance of nitrogen ions at low electron density is crucial to enhance the ambipolar diffusion for the expansion of discharge channel and the increasing ambipolar diffusion near the cathode plays a key role in the onset of diffuse discharge. An individual-discharge-channel expansion model is proposed to explain the diffuse discharge formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A new interpretation for performance improvement of high-efficiency vertical blue light-emitting diodes by InGaN/GaN superlattices

The effect of InGaN/GaN superlattices (SLs) on quantum efficiency and forward voltage of vertical blue InGaN/GaN multiple quantum well (MQW) light-emitting diodes (LED) grown on Si substrate has been experimentally and theoretically investigated. We have prepared two LED samples, in which the 30 and 45 periods of SLs are inserted between MQW active layers and n-GaN layer, respectively. Electroluminescence measurement shows that the LED with 45 periods of SLs has higher quantum efficiency but lower forward voltage. It is observed that V-shaped pits grow up in size with an increase in SLs period number by means of scan transmission electron microscope and secondary ion mass spectrometry. Further numerical simulations confirm that the performance improvement of LED by SLs is mainly ascribed to enhancing hole injection from the V-shaped pits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interpreting plasmonic response of epitaxial Ag/Si(100) island ensembles

Associating features in the experimentally measured optical response of epitaxial Ag islands grown on Si(100) with the localized surface plasmon resonances (LSPRs) hosted by the Ag islands is challenging due to the variation of the Si dielectric function over the energy range under consideration. However, it is possible to conclusively identify features in the experimental spectra with LSPR modes oscillating both parallel and perpendicular to the epitaxial interface by simulating the optical response. The Abeles matrix method is used to describe the composite layered system and the Ag islands are modeled using the thin island film model developed by Bedeaux and Vlieger. By incorporating island morphology parameters determined by quantitative analysis of electron micrographs, the simulation faithfully reproduces the main features of the experimental spectra. Individually zeroing the dipoles associated with the LSPR modes enables conclusive identification of their contribution to the optical response of the composite system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Vacuum arc cathode spot motion in oblique magnetic fields: An interpretation of the Robson experiment

A model was developed of vacuum arc cathode spot motion in a magnetic field that obliquely intercepts the cathode surface. The model takes into account a force under an electric field caused by retrograde spot motion across the normal component of the magnetic field, producing a drift velocity component in the direction of the acute angle between the magnetic field and the cathode surface. The relationship between velocity of the retrograde direction and drift velocity of the cathode spot motion to the acute angle was developed. The dependencies of the drift angle θ on the acute angle φ, magnetic field strength B, and arc current I were calculated. It was found that the calculated θ increased with φ, B, and I in accordance with Robson's measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Interpreting anomalies observed in oxide semiconductor TFTs under negative and positive bias stress

Oxide semiconductor thin-film transistors can show anomalous behavior under bias stress. Two types of anomalies are discussed in this paper. The first is the shift in threshold voltage (V{sub TH}) in a direction opposite to the applied bias stress, and highly dependent on gate dielectric material. We attribute this to charge trapping/detrapping and charge migration within the gate dielectric. We emphasize the fundamental difference between trapping/detrapping events occurring at the semiconductor/dielectric interface and those occurring at gate/dielectric interface, and show that charge migration is essential to explain the first anomaly. We model charge migration in terms of the non-instantaneous polarization density. The second type of anomaly is negative V{sub TH} shift under high positive bias stress, with logarithmic evolution in time. This can be argued as electron-donating reactions involving H{sub 2}O molecules or derived species, with a reaction rate exponentially accelerated by positive gate bias and exponentially decreased by the number of reactions already occurred.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of reflections on 2D tomographic reconstructions of filtered cameras and on interpreting spectroscopic measurements in the JET ITER-like wall divertor

Considering reflections from metallic wall surfaces in generation of tomographic reconstructions of the tangentially viewing, visible-range spectroscopic divertor cameras in JET has been observed to yield enhanced spatial accuracy and significant reduction of emission artifacts in experimentally resolved 2D line emission distributions. Neglection of reflections in the tomography process was found to lead to overestimation of the emission near the wall surfaces by up to a factor of 4, as well as to formation of bright emission artifacts between the main emission regions and the wall surfaces, comprising locally up to 50% of the emission. Mimicking divertor spectroscopy measurements by integrating the tomographic reconstructions along vertical lines-of-sight implies that reflections comprise 15%–25% of the observed line-integrated emission peaks. Additionally, the spatial differences in the reflection contribution between the different lines-of-sight are less pronounced than in the 2D reconstructions due to the dominance of the brightest emission regions through which the spectroscopic lines-of-sight pass. However, postprocessing EDGE2D-EIRENE simulations using the CHERAB code and synthetic spectroscopy suggests a decrease of the spectroscopically inferred divertor electron temperature by up to 75%, when redistribution of the observed light due to reflections is considered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Basic factors for acquiring, correcting, and interpreting probe current-voltage characteristic in moderate-collisional plasma for determining electron energy distribution

Methods for inferring the electron distribution function (EDF) from a probe current–voltage trace are reviewed for moderate-collisional plasma. The explicit accounting of particle collisions, modeling sheath depletion, and electron refilling processes are rarely performed when analyzing probe measurements, yet they are critical for regime validity, EDF-profile accuracy, and space potential quantification precision. Furthermore, the advantages, limitations, and utilization of large-area wall probes in moderate-collisional plasma, capable of highly resolved indications of energetic electrons in plasma, are outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices

Due to the presence of non-linear equations, iterative Green’s function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular solutions was not performed before. In this work, we use two-particle density matrices to investigate local spin and charge correlators that quantify the charge resonance and covalent characters of these solutions. When applied within the unrestricted orbital set, spin correlators elucidate the broken symmetry of the solutions, containing necessary information for building effective magnetic Hamiltonians. Based on GW and GF2 calculations of simple molecules and transition metal complexes, we construct Heisenberg Hamiltonians, four-spin-four-center corrections, and biquadratic spin–spin interactions. These Hamiltonian parameterizations are compared to previous wave-function calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interpretation of electromagnetic modes in the sub-TAE frequency range in JET plasmas with elevated monotonic q-profiles

Recent JET deuterium experiments with an advanced tokamak scenario using an internal transport barrier (ITB) have been performed to clearly observe destabilized toroidicity-induced Alfvén eigenmodes (TAEs) by fast ions; interestingly, these also exhibit unstable electromagnetic (EM) perturbations in the sub-TAE frequency range. We identify such EM perturbations to be beta-induced ion temperature gradient (BTG) eigenmodes and not beta-induced Alfvén eigenmodes nor beta-induced Alfvén acoustic eigenmodes, which are often unstable in such high-beta plasmas with high-power neutral beam injection (NBI). The BTG modes are the most unstable modes due to the high thermal ion temperature gradient related to the ITB, high thermal ion temperature compared to thermal electron temperature (high T i /T⁠ e ), and a high ion beta regime. BTG mode experimental characteristics match the analytical theory, i.e., location in the vicinity of a rational magnetic surface with a low magnetic shear, mode frequency scaling with the ion diamagnetic frequency (⁠ω$^*_i$⁠), and a coupling among Alfvén and drift waves. We also perform linear gyrokinetic simulations with validated plasma profiles and equilibrium, and find a mode kinetically driven by thermal ions with similar characteristics as the experimental BTG modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interpreting ion-energy distributions using charge exchange emitted from deeply kinetic field-reversed-configuration plasmas

Energy resolving the atomic hydrogen outflux created within plasmas by charge exchange (CX) of hot plasma ions with cooler hydrogen neutrals is used to infer the ion energy distribution within the plasma, IED p . In high- β plasma with field nulls and ion gyro-radii comparable to the plasma size, the measured ion energy distribution (IED m ) of the CX outflux will depend on the viewing angle and position of the detector. Here, we describe the physics for this, results from a synthetic diagnostic code that contrasts the IED m to the IED p within relatively small and hot field-reversed-configuration plasmas, and how these data can show the presence of magnetic nulls and different orbit classes in the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Using deep machine learning to interpret proton radiography data from a pulsed power experiment

Deep machine learning is used to analyze a proton radiograph from a tin pulsed power experiment and determine density values for each pixel in the image. Two promising convolutional neural network architectures that have proven to be effective for image analysis in other applications are applied to analyze a proton radiograph and find density values. The process of creating a suitable training dataset is described, involving the Lagrangian hydrodynamic model used for simulations of the experiment, the proton radiography forward model to make synthetic images for training, and the manner in which data augmentation is used to expand the resulting image dataset. It is shown that machine learning not only produces a reasonable density field but is also able to predict features in the density field that are suggested by the proton radiograph but not captured by simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Revisiting the Anisotropic Complex Refractive Indices of Sodium Nitrate for Interpretation of the Reflectance Spectrum of Pressed Pellets

Reflectance spectroscopy is notoriously confounding in that the measured spectral response is highly dependent upon the morphology of the sample. Fortunately, all such perturbations are neatly encoded by the complex refractive index of the sample. Herein, we seek to quantitatively model the measured infrared reflectance spectrum of a specularly flat pressed pellet sample of the birefringent compound, sodium nitrate. Single crystals of sodium nitrate were synthesized via a slow evaporation process and spectroscopically analyzed using polarization-dependent infrared single-angle reflectance spectroscopy. The anisotropic complex refractive index was measured from 7500 to 300 cm-1 (1.33 to 33.33 µm). The deduced anisotropic optical constants were found to be consistent with those previously reported. Once measured and validated, the optical constants were applied to model the pressed pellet reflectance spectrum. It was evident that an average of the anisotropic refractive indices was insufficient to account for the measured pellet reflectance. In order to account for contributions of all possible microcrystalline orientations within the pellet, the Python package PYELLI was used to calculate a basis set of orientation-dependent reflection spectra spanning the distinct ? and ? Euler rotations of the uniaxial crystal. When the population of orientations was allowed to vary freely in a spectral fit analysis, the fit-deduced orientations were tightly clustered along f = 45º, hinting at residual anisotropy in the pressed pellet sample. Conversely, an equally valid spectral fit (with marginally worse fit metric) was obtained when the population was constrained to an isotropic distribution of orientations. Subsequent non-zero cross-polarization reflectance measurements likewise suggested anisotropy in the pellet. However, both grazing incidence wide-angle x-ray scattering and scanning electron microscopy measurements revealed that the microcrystal orientations at the surface of the pressed pellet sample were isotropically distributed (and that the average crystallite size was larger than ?/10). Application of the measured complex refractive indices for modeling the reflectance spectrum of the pressed pellet, and rectification of these seemingly contradictory observations will be discussed.

Wilhelm, Michael J.↗

Measurement and interpretation of Mueller matrices of barley leaves

We report the results of measuring Mueller matrices for three groups of leaf samples of common barley (Hordeum vulgare): Chlorina mutant, Chlorina etiolated mutant and Cesaer varieties. The repeatability of the measurement results of Mueller matrices of such a complex and highly depolarising object as a plant leaf is demonstrated. It is shown that the barley leaves of these three groups can be reliably identified both at forward scattering and backward scattering modes; the best results are obtained in the case of forward scattering. In both cases, the most informative matrix elements are identified. It is also shown that at backward scattering mode linear dichroism comes out, the magnitude of which increases with decreasing observation angle. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Collection-limited theory interprets the extraordinary response of single semiconductor organic solar cells

Significance We demonstrate that, instead of the charge generation mechanism, charge collection can readily explain the bottleneck toward higher efficiency single organic semiconductor based OPVs (SS-OPVs). This change in archetype has the potential to transform the design rules for materials used in OPV devices and would inspire searches for a completely different set of polymers for OPV cells. Furthermore, we believe that our findings will broaden the understanding of the physics of charge transport and the impact of charged defect states in organic electronic devices. Hence, this work should have deep and immediate impact on the chemists, materials scientists, and device physicists in the field and would be of broad interest to the organic electronics community.

14 SOLAR ENERGY↗