Slow dynamics in glycerol: collective de gennes narrowing and independent angstrom motion

The slow dynamics of microscopic density correlations in supercooled glycerol was studied by time-domain interferometry using ⁵⁷Fe-nuclear resonant scattering gamma rays of synchrotron radiation. The dependence of the relaxation time at 250 K on the momentum transfer q is maximum near the first peak of the static structure factor S(q) at q ～ 15 nm ^?1. The q-dependent behavior of the relaxation time known as de Gennes narrowing was confirmed in glycerol. Conversely, de Gennes narrowing around the second and third peaks of S(q) at q ～ 26 nm ^?1 and 54 nm ^?1 was not detected. The q dependence of the relaxation time was found to follow a power-law equation with power-law index of 1.9(2) in the q region well above the first peak of S(q) up to ～ 60 nm ^?1, which corresponds to angstrom scale, within experimental error. This suggests that in the angstrom-scale dynamics of supercooled glycerol, independent motions dominate over collective motion.     

Delbrück-Streuung von 17 MeV-Photonen

Differential cross sections have been measured for the small angle scattering ofγ-rays by iron, silver, tantalum, lead and uranium with 17 MeV photons from Li⁷ (p, γ) Be⁸ at mean four momentum transfersq of 0·5mc and 1·3mc and with 7 MeV photons from F¹⁹(p, αγ)O¹⁶ at mean four momentum transfer of 0·5mc. Under these experimental conditions only Compton, Rayleigh and possibly Delbrück scattering are of importance. Extrapolation of known theoretical results to higher energies shows, that Rayleigh and Compton scattering from bound electrons should depend only onq for small angles, smallq and fixedZ. Using this it follows, that at 17 MeV andq≈0·5mc an additional scattering process must be present, which increases with growingZ and which is negligible in the measurements at 17 MeV withq≈1·3mc and at 7 MeV withq≈0·5mc. These results are in qualitative agreement with the approximate theory for Delbrück scattering ofBethe andRohrlich, however experimental cross sections at 17 MeV andq≈0·5mc are about a factor of 1·6 lower than those predicted by this theory. This discrepancy is not unexpected, since exact calculations of Delbrück scattering amplitude fromKessler andZernik at 2·62 MeV and 6·14 MeV show even greater deviations in the same sense.     

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach–Sunjic approximation using the Mahan–Wertheim–Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy Г (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, <Im[??1 / ε(E, q)]> _q , of Al(002) differs from the optical value Im[??1 / ε(E, q?=?0)] and is well described by the Lindhard–Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ε(E, q) as found in optical spectra and ab initio calculations of aluminum.     

Density Fluctuations as Precursors of Crystallization in Polyamide 6,6 Using Time-Resolved X-Ray Scattering Techniques

In the present study, attempts are made to throw light on the mechanisms leading to primary nucleation in polymer crystallization. Previous studies in this field are not conclusive. Aiming to investigate the induction period prior to crystallization, time-resolved simultaneous small- and wide-angle X-ray scattering (SAXS and WAXS) measurements have been made in situ for polyamide 6,6, while it was crystallized from the melt. For this polymer, it is confirmed that at a low supercooling (ΔT≈28°C), during the induction period, a well-resolved SAXS pattern appears. The time evolution of this scattering pattern can be described by the kinetics of spinodal decomposition, as previously reported for the glass crystallization of PEKK and TPI. According to this analysis, a value for the most probable scattering vector q of density fluctuations at around 0.43 nm^?1 is found. It corresponds to a characteristic wavelength of 14.7 nm of long-range density fluctuations growing with time.     

Representation of type I heterostructure junctionless tunnel field effect transistor for high-performance logic application

In this paper, a gate-all-around junctionless tunnel field effect transistor (JLTFET) based on heterostructure of compound and group III–V semiconductors is introduced and simulated. In order to blend the high tunneling efficiency of narrow band gap material JLTFETs and the high electron mobility of III–V JLTFETs, a type I heterostructure junctionless TFET adopting Ge–Al _x Ga_1?x As–Ge system has been optimized by numerical simulation in terms of aluminum (Al) composition. To improve device performance, we considered a nanowire structure, and it was illustrated that high-performance logic technology can be achieved by the proposed device. The optimal Al composition founded to be around 20 % (x = 0.2). The numerical simulation results demonstrate that the proposed device has low leakage current I _OFF of ~1.9 × 10^?17, I _ON of 4 µA/µm, I _ON/I _OFF current ratio of 1.7 × 10¹¹ and subthreshold swing SS of 12.6 mV/decade at the 40 nm gate length and temperature of 300 K.     

Inverse Scattering Problem for a Two Dimensional Random Potential

We study an inverse problem for the two-dimensional random Schrödinger equation (Δ + q + k ²)u = 0. The potential q(x) is assumed to be a Gaussian random function whose covariance operator is a classical pseudodifferential operator. We show that the backscattered field, obtained from a single realization of the random potential q, determines uniquely the principal symbol of the covariance operator of q. The analysis is carried out by combining harmonic and microlocal analysis with stochastic methods.     

Study of the heavy-fermion compound CeRu<Subscript>2</Subscript>Si<Subscript>2</Subscript> by the small-angle neutron scattering method

In order to directly observe neutron scattering by heavy fermion quasiparticles at low temperatures, a CeRu₂Si₂ single crystal has been studied by the small-angle neutron scattering method. In the experiment, neutron scattering is observed at T = 0.85 K for momentum transfers q ≤ 0.04 Å^?1, which is treated as the orbital component of magnetic scattering by heavy fermion quasiparticles. It has been found that the application of a magnetic field H = 1 T leads to both an increase in the observed scattering and its anisotropy with respect to the field direction. Moreover, measurements in the magnetic field reveal additional scattering for q > 0.04 Å^?1, which is well described by a Lorentzian and is interpreted as neutron magnetic scattering by spin-density fluctuations with a correlation radius R_c ≈ 30 Å.     

Structural changes during the unfolding of Bovine serum albumin in the presence of urea: A small-angle neutron scattering study

The native form of serum albumin is the most important soluble protein in the body plasma. In order to investigate the structural changes of Bovine serum albumin (BSA) during its unfolding in the presence of urea, a small-angle neutron scattering (SANS) study was performed. The scattering curves of dilute solutions of BSA with different concentrations of urea in D₂O at pH 7.2 ± 0.2 were measured at room temperature. The scattering profile was fitted to a prolate ellipsoidal shape (a, b, b) of the protein witha = 52.2 Å andb = 24.2 Å. The change in the dimensions of the protein as it unfolds was found to be anisotropic. The radius of gyration of the compact form of the protein in solution decreased as the urea concentration was increased.     

Evolution of surface morphology during the growth of amorphous and polycrystalline silicon films

The evolution of the surface morphology of LPCVD poly-Si films (deposition temperature 620°C), a-Si films (deposition temperature 550°C) and poly-Si films, obtained by the crystallization of a-Si is investigated in the thickness range 40–500 nm. It is found that upon an increase in the thickness from 40 to 500 nm, the surface roughness (parameters S _q , S _z , S _v ) is increased for poly-Si, while in the case of a-Si and poly-Si obtained by crystallization a-Si, on the contrary, decreases. The correlation length (S _al ) increases for all three types of silicon films. Poly-Si films, obtained by the crystallization of a-Si, as compared to LPCVD poly-Si films have a significantly lower surface roughness, respectively, S _q two times less at a thickness of 40 nm and sixteen times less at 500 nm. In contrast to thick films, thin a-Si films (at thicknesses of less than 40 nm) have a granular structure, which is especially pronounced at an average thickness of about 20 nm and there is a maximum on the dependence of the roughness S _q on the thickness.     

A Minkowski Type Trace Inequality and Strong Subadditivity of Quantum Entropy II: Convexity and Concavity

We revisit and prove some convexity inequalities for trace functions conjectured in this paper’s antecedent. The main functional considered is

$ \Phi_{p,q} (A_1,\, A_2, \ldots, A_m) = \left({\rm Tr}\left[\left( \, {\sum\limits_{j=1}^m A_j^p } \, \right) ^{q/p} \right] \right)^{1/q} $

for m positive definite operators A _j . In our earlier paper, we only considered the case q = 1 and proved the concavity of Φ _p,1 for 0 < p ≤ 1 and the convexity for p = 2. We conjectured the convexity of Φ _p,1 for 1 < p < 2. Here we not only settle the unresolved case of joint convexity for 1 ≤ p ≤ 2, we are also able to include the parameter q ≥ 1 and still retain the convexity. Among other things this leads to a definition of an L ^q (L ^p ) norm for operators when 1 ≤ p ≤ 2 and a Minkowski inequality for operators on a tensor product of three Hilbert spaces – which leads to another proof of strong subadditivity of entropy. We also prove convexity/concavity properties of some other, related functionals.

     

Synthesis of Water Dispersible Fluorescent Carbon Nanocrystals from <Emphasis Type="Italic">Syzygium cumini</Emphasis> Fruits for the Detection of Fe<Superscript>3+</Superscript> Ion in Water and Biological Samples and Imaging of <Emphasis Type="Italic">Fusarium avenaceum</Emphasis> Cells

In this work, water dispersible fluorescent carbon nanocrystals (NCs) were synthesized by a simple, green and low cost hydrothermal method using Syzygium cumini (jamun) as a carbon source at 180 °C for 6 h. The average size of carbon NCs was found to be 2.1 ± 0.5 nm and shown bright blue fluorescence when excited at 365 nm under UV lamp. The carbon NCs were characterized by spectroscopic (UV-visible and fluorescence, Fourier transform infrared and dynamic light scattering) and high resolution transmission electron microscopic techniques. The quantum yield of carbon NCs was found to be ~5.9 % at 438 nm emission wavelength when excited at 360 nm. It was noticed that none of the metal ions quenched the fluorescence intensity of carbon NCs at 438 nm except for Fe³⁺, indicating the formation of Fe³⁺ ion-carbon NCs complexes. The linear range was observed in the concentration range of 0.01–100 μM with the corresponding detection limits of 0.001 μM, respectively. Furthermore, the carbon NCs were used as probes for imaging of fungal (Fusarium avenaceum) cells.     

Derivation of Hamaker Dispersion Energy of Amorphous Carbon Surfaces in Contact with Liquids Using Photoelectron Energy-Loss Spectra

Hamaker interaction energies and cutoff distances have been calculated for disordered carbon films, in contact with purely dispersive (diiodomethane) or polar (water) liquids, using their experimental dielectric functions ε (q, ω) obtained over a broad energy range. In contrast with previous works, a q-averaged <ε (q, ω) >  _q is derived from photoelectron energy-loss spectroscopy (XPS-PEELS) where the energy loss function (ELF) < Im[?1/ε (q, ω)] >  _q is a weighted average over allowed transferred wave vector values, q, given by the physics of bulk plasmon excitation. For microcrystalline diamond and amorphous carbon films with a wide range of (sp³/sp² + sp³) hybridization, non-retarded Hamaker energies, A ₁₃₂ (L < 1 nm), were calculated in several configurations, and distance and wavenumber cutoff values were then calculated based on A ₁₃₂ and the dispersive work of adhesion obtained from contact angles. A geometric average approximation, H _0?CVL ?=?(H _0?CVC H _0?LVL )^1/2, holds for the cutoff separation distances obtained for carbon-vacuum-liquid (CVL), carbon-vacuum-carbon (CVC) and liquid-vacuum-liquid (LVL) equilibrium configurations. The linear dependence found for A _CVL, A _CLC and A _CLV values as a function of A _CVC, for each liquid, allows predictive relationships for Hamaker energies (in any configuration) using experimental determination of the dispersive component of the surface tension, \( {\gamma}_{CV}^d \), and a guess value of the cutoff distance H _0?CVC of the solid.

Open image in new window

Graphical Abstract

     

The Boundary Control Approach to the Titchmarsh-Weyl <Emphasis Type="Italic">m</Emphasis>–Function. I. The Response Operator and the <Emphasis Type="Italic">A</Emphasis>–Amplitude

We link the Boundary Control Theory and the Titchmarsh-Weyl Theory. This provides a natural interpretation of the A?amplitude due to Simon and yields a new efficient method to evaluate the Titchmarsh-Weyl m?function associated with the Schrödinger operator H = ?? _x ²  + q(x) on L ₂(0, ∞) with Dirichlet boundary condition at x = 0.     

Effect of the hexagonal warping on the dynamical conductivity of surface states in a topological insulator

We report on the effect of hexagonal warping on the dynamical conductivity of the surface states of a topological insulator in the presence of nonmagnetic impurities. It is found that the photon energy dependent conductivities are determined by a polarization-function-liked term,  Π₂ (q,ω), which contains a velocity term corresponding to the difference of group velocities between the two states due to an electron-impurity scattering. This is different from the conductivity of 2-dimentional electron systems where the conductivity depends on the inverse imaginary part of the dielectric function Im [1/κ(q,ω)]. We present both the real part and imaginary part of the polarization function with different warping strength. It is found that the warping strength can both enhance single particle excitations (SPEs) and suppress the screening effect of electrons. As a result the inverse scattering time is enhanced by up to about two orders of magnitudes. The real part of the longitudinal conductivity of the intra-band process is analog to the case with a conductivity of σ ~ μδ(ω). The broadening of the spectrum in the low energy is not only determined by chemical potential, but also dependent on the warping strength. At higher frequency, the real part of conductivity shows a jump at the threshold photon energy of μ, where the inter-band contribution takes over.     

Electron and donor-impurity-related Raman scattering and Raman gain in triangular quantum dots under an applied electric field

The differential cross-section of electron Raman scattering and the Raman gain arecalculated and analysed in the case of prismatic quantum dots with equilateral trianglebase shape. The study takes into account their dependencies on the size of the triangle,the influence of externally applied electric field as well as the presence of an ionizeddonor center located at the triangle’s orthocenter. The calculations are made within theeffective mass and parabolic band approximations, with a diagonalization scheme beingapplied to obtain the eigenfunctions and eigenvalues of the x-y Hamiltonian. The incidentand secondary (scattered) radiation have been considered linearly-polarized along they-direction, coinciding with the direction of theapplied electric field. For the case with an impurity center, Raman scattering with theintermediate state energy below the initial state one has been found to show maximumdifferential cross-section more than by an order of magnitude bigger than that resultingfrom the scheme with lower intermediate state energy. The Raman gain has maximum magnitudearound 35 nm dot size andelectric field of 40 kV/cm forthe case without impurity and at maximum considered values of the input parameters for thecase with impurity. Values of Raman gain of the order of up to 10⁴cm^-1 are predicted in bothcases.     

Study of Specific Interaction between bis(<Emphasis Type="Italic">p</Emphasis>-phenylene)-34-crown-10-based Substituted Macrocycle and Ni<Superscript>2+</Superscript>

A novel macrocyclic host has been synthesized for the determination of Ni (II) ions in aqueous solution (H₂O-CH₃CN, v/v?=?1:1). Its molecular structure has been verified by ¹H-NMR, ¹³C NMR and mass spectrometry (ESI).This probe shows selectivity towards the presence of Ni (II) ion among various alkali, alkaline earth, and transition metal ions. The formation of a new fluorescence band at 311 nm has been detected due to possible complex formation with increasing Ni²⁺ concentration in the range of 10^?5–10^?4 M. The detection limit is calculated to be 5.22 μM. To our knowledge, it will be the first case for bis(p-phenylene)-34-crown-10 based molecules to recognize Ni²⁺ ions.     

Optimized permeation and antifouling of PVDF hybrid ultrafiltration membranes: synergistic effect of dispersion and migration for fluorinated graphene oxide

Nanoparticles may have suffered from low modification efficiency in hybrid membranes due to embedding and aggregating in polymer matrix. In order to analyze the modification mechanisms of nanoparticle migration and dispersion on the properties of hybrid membranes, we designed different F/O ratios (R _F/O ) of fluorinated graphene oxide (FGO, diameter = 1.5 ~ 17.5 μm) by carbon tetrafluoride (CF₄) plasma treatment GO for 3, 5, 10, 15, and 20 min and successfully prepared novel PVDF hybrid membranes containing FGO via the phase inversion method. After a prolonged plasma treatment, the R _F/O of FGO was enhanced sharply, indicating an increasing compatibility of FGO with the matrix, especially FGO-20 (GO treated for 20 min). FGO contents in the top layer, sublayer, and the whole of membranes were probed by X-ray photoelectron spectroscopy, energy-dispersive spectrometer, and indirect computation, respectively. In the top layer of membranes, FGO contents declined from 13.14 wt% (PVDF/GO) to 4.00 wt% (PVDF/FGO-10) and 1.96 wt% (PVDF/FGO-20) due to the reduced migration ability of FGO. It is worth mentioning that PVDF/FGO-10 membranes exhibited an excellent water flux and flux recovery rate (up to 406.90 L m^?2 h^?1 and 88.9%), which were improved by 67.3% and 14.6% and 52.5% and 24.0% compared with those of PVDF/GO and PVDF/FGO-20 membranes, respectively, although the dispersion and migration ability of FGO-10 was maintained at a moderate level. It indicated that the migration and dispersion of FGO in membranes could result in dynamic equilibrium, which played a key role in making the best use of nanomaterials to optimize membrane performance.     

Determination of the scattering coefficient of biological tissue considering the wavelength and absorption dependence of the anisotropy factor

The anisotropy factor g, one of the optical properties of biological tissues, has a strong influence on the calculation of the scattering coefficient μ _s in inverse Monte Carlo (iMC) simulations. It has been reported that g has the wavelength and absorption dependence; however, few attempts have been made to calculate μ _s using g values by taking the wavelength and absorption dependence into account. In this study, the angular distributions of scattered light for biological tissue phantoms containing hemoglobin as a light absorber were measured by a goniometric optical setup at strongly (405 nm) and weakly (664 nm) absorbing wavelengths to obtain g. Subsequently, the optical properties were calculated with the measured values of g by integrating sphere measurements and an iMC simulation, and compared with the results obtained with a conventional g value of 0.9. The μ _s values with measured g were overestimated at the strongly absorbing wavelength, but underestimated at the weakly absorbing wavelength if 0.9 was used in the iMC simulation.     

Controlled synthesis of photoluminescent Bi<Subscript>4</Subscript>Ti<Subscript>3</Subscript>O<Subscript>12</Subscript> nanoparticles from metal-organic polymeric precursor

Bi₄Ti₃O₁₂ (BIT) nanoparticles with a narrow average particle size distribution in the range of 11–46 nm was synthesized via a metal-organic polymeric precursor process. The crystallite size and lattice parameter of BIT were determined by XRD analysis. At annealing temperatures >550 °C, the orthorhombic BIT compound with lattice parameters a = 5.4489 Å, b = 5.4147 Å, and c = 32.8362 Å was formed while at lower annealing temperatures orthorhombicity was absent. Reaction proceeded via the formation of an intermediate phase at 500 °C with a stoichiometry close to Bi₂Ti₂O₇. The particle size and the agglomerates of the primary particles have been confirmed by FESEM and TEM. The decomposition of the polymeric gel was ascertained in order to evaluate the crystallization process from TG-DSC analysis. Raman spectroscopy was used to investigate the lattice dynamics in BIT nanoparticles. In addition, investigation of the dependence of the visible emission band around the blue–green color emission on annealing temperatures and grain sizes showed that the effect of grain size plays important roles, and that oxygen vacancies may act as the radiative centers responsible for the observed visible emission band.     

Synthesis and optical properties of basic fuchsin dye-doped PMMA polymeric films for laser applications: wide scale absorption band

Basic fuchsin dye-doped poly(methyl methacrylate) polymeric films were sensitized with various dye concentrations ranging from 0.0833 to 1.667 wt% of basic fuchsin. Their structure, linear absorption, and optical limiting properties were examined. The films were prepared using a simple and fast casting technique dissolved in chloroform for both the dye and the polymer. Structural characterizations were achieved by XRD, and the films showed an amorphous hump supporting the noncrystalline structure of studied polymeric composites. Spectrophotometer measurements were used to estimate the spectral absorption measurements of the films such as transmittance, absorbance with the calculations of absorption index (k), and optical energy band gap (E _g ) in the wavelength region from 190 to 2500 nm. Results show that the optical constants change with increasing the dye doping concentrations. It has been found that optical energy gap (E _g ) appearing that, both direct and indirect optical transitions are conceivable for these films. Optical limiting properties of the films with various dye concentrations were studied using a continuous wave He–Ne laser operating at 632.8 nm. The results appeared that the sample has an obvious optical limiting effect. The designed BF/PMMA composites can be applicable in wide-scale applications.