ALBERT

Description: In order to study the dependence of water solubility and hydration behavior of nanoparticles on their surface polarity, we designed polar nanoparticles with varying surface polarity by assigning atomic partial charge to the surface of C60. The water solubility of the nanoparticle is enhanced by several orders of magnitude after the introduction of surface polarity. Nevertheless, when the atomic partial charge grows beyond a certain value ( q M ), the solubility continuously decreases to the level of nonpolar nanoparticle. It should be noted that such q M is comparable with atomic partial charge of a variety of functional groups. The hydration behaviors of nanoparticles were then studied to investigate the non-monotonic dependence of solubility on the surface polarity. The interaction between the polar nanoparticle and the hydration water is stronger than the nonpolar counterpart, which should facilitate the dissolution of the nanoparticles. On the other hand, the surface polarity also reduces the interaction of hydration water with the other water molecules and enhances the interaction between the nanoparticles which may hinder their dispersion. Besides, the introduction of surface polarity disturbs and even rearranges the hydration structure of nonpolar nanoparticle. Interestingly, the polar nanoparticle with less ordered hydration structure tends to have higher water solubility.

Description: We study the translational single particle dynamics of hydration water of lysozyme upon cooling by means of molecular dynamics simulations. We find that water close to the protein exhibits two distinct relaxations. By characterizing their behavior upon cooling, we are able to assign the first relaxation to the structural α -relaxation also present in bulk water and in other glass-forming liquids. The second, slower, relaxation can be ascribed to a dynamic coupling of hydration water motions to the fluctuations of the protein structure. Both relaxation times exhibit crossovers in the behavior upon cooling. For the α -process, we find upon cooling a crossover from a fragile behavior to a strong behavior at a temperature which is about five degrees higher than that of bulk water. The long -relaxation time appears strictly connected to the protein motion as it shows upon cooling a temperature crossover from a strong behavior with a lower activation energy to a strong behavior with a higher activation energy. The crossover temperature coincides with the temperature of the protein dynamical transition. These findings can help experimentalists to disentangle the different information coming from total correlators and to better characterize hydration water relaxations in different biomolecules.

Description: We extend a previously introduced model of stochastic gene regulation of cancer to a nonlinear case having both gene and pseudogene messenger RNAs (mRNAs) self-regulated. The model consists of stochastic Boolean genetic elements and possesses noise-induced multistability (multimodality). We obtain analytical expressions for probabilities for the case of constant but finite number of microRNA molecules which act as a noise source for the competing gene and pseudogene mRNAs. The probability distribution functions display both the global bistability regime as well as even-odd number oscillations for a certain range of model parameters. Statistical characteristics of the mRNA’s level fluctuations are evaluated. The obtained results of the extended model advance our understanding of the process of stochastic gene and pseudogene expressions that is crucial in regulation of cancer.

Description: We analyse van der Waals interactions between a pair of dielectrically anisotropic plane-layered media interacting across a dielectrically isotropic solvent medium. We develop a general formalism based on transfer matrices to investigate the van der Waals torque and force in the limit of weak birefringence and dielectric matching between the ordinary axes of the anisotropic layers and the solvent. We apply this formalism to study the following systems: (i) a pair of single anisotropic layers, (ii) a single anisotropic layer interacting with a multilayered slab consisting of alternating anisotropic and isotropic layers, and (iii) a pair of multilayered slabs each consisting of alternating anisotropic and isotropic layers, looking at the cases where the optic axes lie parallel and/or perpendicular to the plane of the layers. For the first case, the optic axes of the oppositely facing anisotropic layers of the two interacting slabs generally possess an angular mismatch, and within each multilayered slab the optic axes may either be the same or undergo constant angular increments across the anisotropic layers. In particular, we examine how the behaviors of the van der Waals torque and force can be “tuned” by adjusting the layer thicknesses, the relative angular increment within each slab, and the angular mismatch between the slabs.

Description: The static and dynamic first ( β ‖ ) and second ( γ ‖ ) hyperpolarizabilities of water, methanol, and dimethyl ether have been evaluated within the response function approach using a hierarchy of coupled cluster levels of approximation and doubly augmented correlation consistent atomic basis sets. For the three compounds, the electronic β ‖ and γ ‖ values calculated at the CCSD and CC3 levels are in good agreement with gas phase electric field-induced second harmonic generation (EFISHG) measurements. In addition, for dimethyl ether, the frequency dispersion of both properties follows closely recent experimental values [V. W. Couling and D. P. Shelton, J. Chem. Phys. 143 , 224307 (2015)] demonstrating the reliability of these methods and levels of approximation. This also suggests that the vibrational contributions to the EFISHG responses of these molecules are small.

Description: Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics studies. Here, we present a model for describing hyperfine-structure effects in the REMPI process and for predicting hyperfine populations in molecular ions produced by this method. This model is a generalization of our model for fine- and hyperfine-structure effects in one-photon ionization of molecules presented in Paper I [M. Germann and S. Willitsch, J. Chem. Phys. 145 , 044314 (2016)]. This generalization is achieved by covering two main aspects: (1) treatment of the neutral bound-bound transition including the hyperfine structure that makes up the first step of the REMPI process and (2) modification of our ionization model to account for anisotropic populations resulting from this first excitation step. Our findings may be used for analyzing results from experiments with molecular ions produced by REMPI and may serve as a theoretical background for hyperfine-selective ionization experiments.

Description: A design to extend the unique divertor Thomson scattering system on DIII-D to allow measurements of electron temperature and density in high triangularity plasmas is presented. Access to this region is selectable on a shot-by-shot basis by redirecting the laser beam of the existing divertor Thomson system inboard — beneath the lower floor using a moveable, high-damage threshold, in-vacuum mirror — and then redirecting again vertically. The currently measured divertor region remains available with this mirror retracted. Scattered light is collected from viewchords near the divertor floor using in-vacuum, high temperature optical elements and relayed through the port window, before being coupled into optical fiber bundles. At higher elevations from the floor, measurements are made by dynamically re-focusing the existing divertor system collection optics. Nd:YAG laser timing, analysis of the scattered light spectrum via polychromators, data acquisition, and calibration are all handled by existing systems or methods of the current multi-pulse Thomson scattering system. Existing filtered polychromators with 7 spectral channels are employed to provide maximum measurement breadth ( T e in the range of 0.5 eV–2 keV, n e in the range of 5 × 10 18 –1 × 10 21 m 3 ) for both low T e in detachment and high T e measurement up beyond the separatrix.

Description: Here we investigate the hexagonal-to-cubic phase transition in metalorganic-chemical-vapor-deposition-grown gallium nitride enabled via silicon (100) nano-patterning. Electron backscatter diffraction and depth-resolved cathodoluminescence experiments show complete cubic phase GaN surface coverage when GaN deposition thickness ( h c ), etch depth ( t d ), and opening width ( p ) obey h c ≈ 1.06 p − 0.75 t d ; in line with a geometrical model based on crystallography. Cubic GaN uniformity is studied via electron backscatter diffraction and cathodoluminescence measurements. Atomic force microscopy reveals a smooth cubic GaN surface. Phase-transition cubic GaN shows promising optical and structural quality for integrated photonic devices.

Description: To study the thin lubrication film around long bubbles with length-to-radius aspect ratio more than 10 in square capillaries, a chromatic interference method was developed. Three-dimensional profile of the lubrication film was acquired from moving long bubbles with the length-to-radius aspect ratio up to 500. The dynamics and profiles of the film were found to be dependent of the dimensionless downstream distance x of the long bubble. For 1 ≪ x ≪ Ca −1 , the film has a thickness of order Ca 2/3 at the center and order Ca 1 at the sides, while for x  ∼  Ca −1 , the film at the sides thins to order Ca 4/3 , which matches well with the existing theoretical results.

Description: We investigate sub-monolayer InN quantum sheets embedded in GaN(0001) by temperature-dependent photoluminescence spectroscopy under both continuous-wave and pulsed excitation. Both the peak energy and the linewidth of the emission band associated with the quantum sheets exhibit an anomalous dependence on temperature indicative of carrier localization. Photoluminescence transients reveal a power law decay at low temperatures reflecting that the recombining electrons and holes occupy spatially separate, individual potential minima reminiscent of conventional (In,Ga)N(0001) quantum wells exhibiting the characteristic disorder of a random alloy. At elevated temperatures, carrier delocalization sets in and is accompanied by a thermally activated quenching of the emission. We ascribe the strong nonradiative recombination to extended states in the GaN barriers and confirm our assumption by a simple rate-equation model.

Description: Polarization-controlled tip-enhanced near-field Raman spectroscopic imaging is demonstrated using two characteristic dipoles induced at a metallic nano-tip. The polarization generated at the tip can be considered as a single dipole that can be switched from s to p by modulating the incident laser polarization. The s -dipole achieves highly selective molecular orientation imaging, while p -polarization provides comprehensive imaging in all directions. We discuss the controllability of near-field polarizations through the evaluation of the dipole orientation induced at the nano-tip. Polarization control and switching in near-field imaging are of tremendous advantage, as they allow the study of the molecular orientations in a sample, along with spectroscopic information.

Description: A hybrid structure of a graphene nanomesh with the gold nanodisks is studied to enhance the light absorption by the localized surface plasmon resonance. From the reflection spectra of the visible range for graphene nanomesh samples without and with nanodisks, it is found that the absorption of graphene nanomesh structures is greatly enhanced in the presence of gold nanodisks around the resonance wavelength. Simulation results based on the finite-difference time-domain method support the experimental observations. This study demonstrates the potential of constructing graphene based photodetectors with a high light absorption efficiency and wavelength selectivity.

Description: The spatial charge distribution in diketopyrrolopyrrole-containing ambipolar polymeric semiconductors embedded in dual-gate field-effect transistors (DGFETs) was investigated. The DGFETs have identical active channel layers but two different channel/gate interfaces, with a CYTOP™ organic dielectric layer for the top-gate and an octadecyltrichlorosilane (ODTS) self-assembled monolayer-treated inorganic SiO 2 dielectric for the bottom-gate, respectively. Temperature-dependent transfer measurements of the DGFETs were conducted to examine the charge transport at each interface. By fitting the temperature-dependent measurement results to the modified Vissenberg–Matters model, it can be inferred that the top-channel interfacing with the fluorinated organic dielectric layers has confined charge transport to two-dimensions, whereas the bottom-channel interfacing with the ODTS-treated SiO 2 dielectric layers has three-dimensional charge transport.

Description: We report on the characterization of silica aerogel thermal optical nonlinearity, obtained by z-scan technique. The results show that typical silica aerogels have nonlinear optical coefficient similar to that of glass (≃10 −12 m 2 /W), with negligible optical nonlinear absorption. The nonlinear coefficient can be increased to values in the range of 10 −10 m 2 /W by embedding an absorbing dye in the aerogel. This value is one order of magnitude higher than that observed in the pure dye and in typical highly nonlinear materials like liquid crystals.

Description: Basin of attraction of a stable equilibrium point is an effective concept for stability analysis in deterministic systems; however, it does not contain information on the external perturbations that may affect it. Here we introduce the concept of stochastic basin of attraction (SBA) by incorporating a suitable probabilistic notion of basin. We define criteria for the size of the SBA based on the escape probability, which is one of the deterministic quantities that carry dynamical information and can be used to quantify dynamical behavior of the corresponding stochastic basin of attraction. SBA is an efficient tool to describe the metastable phenomena complementing the known exit time, escape probability, or relaxation time. Moreover, the geometric structure of SBA gives additional insight into the system's dynamical behavior, which is important for theoretical and practical reasons. This concept can be used not only in models with small noise intensity but also with noise whose amplitude is proportional or in general is a function of an order parameter. As an application of our main results, we analyze a three potential well system perturbed by two types of noise: Brownian motion and non-Gaussian α -stable Lévy motion. Our main conclusions are that the thermal fluctuations stabilize the metastable system with an asymmetric three-well potential but have the opposite effect for a symmetric one. For Lévy noise with larger jumps and lower jump frequencies ( α = 0.5 ) metastability is enhanced for both symmetric and asymmetric potentials.

Description: We introduce mixing with piecewise isometries (PWIs) on a hemispherical shell, which mimics features of mixing by cutting and shuffling in spherical shells half-filled with granular media. For each PWI, there is an inherent structure on the hemispherical shell known as the exceptional set E , and a particular subset of E , E + , provides insight into how the structure affects mixing. Computer simulations of PWIs are used to visualize mixing and approximations of E + to demonstrate their connection. While initial conditions of unmixed materials add a layer of complexity, the inherent structure of E + defines fundamental aspects of mixing by cutting and shuffling.

Description: The effort to obtain a set of MagnetoHydroDynamic (MHD) equations for a magnetized collisionless plasma was started nearly 60 years ago by Chew et al . [Proc. R. Soc. London, Ser. A 236 (1204), 112–118 (1956)]. Many attempts have been made ever since. Here, we will show the derivation of a set of these equations from the gyrokinetic perspective, which we call it gyrokinetic MHD, and it is different from the conventional ideal MHD. However, this new set of equations still has conservation properties and, in the absence of fluctuations, recovers the usual MHD equilibrium. Furthermore, the resulting equations allow for the plasma pressure balance to be further modified by finite-Larmor-radius effects in regions with steep pressure gradients. The present work is an outgrowth of the paper on “Alfven Waves in Gyrokinetic Plasmas” by Lee and Qin [Phys. Plasmas 10 , 3196 (2003)].

Description: The Landau-Ginzburg-Wilson paradigm is proposed as a framework, to investigate the conformational landscape of intrinsically unstructured proteins. A universal C α -trace Landau free energy is deduced from general symmetry considerations, with the ensuing all-atom structure modeled using publicly available reconstruction programs Pulchra and Scwrl . As an example, the conformational stability of an amyloid precursor protein intra-cellular domain (AICD) is inspected; the reference conformation is the crystallographic structure with code 3DXC in Protein Data Bank (PDB) that describes a heterodimer of AICD and a nuclear multi-domain adaptor protein Fe65. Those conformations of AICD that correspond to local or near-local minima of the Landau free energy are identified. For this, the response of the original 3DXC conformation to variations in the ambient temperature is investigated, using the Glauber algorithm. The conclusion is that in isolation the AICD conformation in 3DXC must be unstable. A family of degenerate conformations that minimise the Landau free energy is identified, and it is proposed that the native state of an isolated AICD is a superposition of these conformations. The results are fully in line with the presumed intrinsically unstructured character of isolated AICD and should provide a basis for a systematic analysis of AICD structure in future NMR experiments.

Description: The wave property of phonons is employed to explore the thermal transport across a finite periodic array of nano-scatterers such as circular and triangular holes. As thermal phonons are generated in all directions, we study their transmission through a single array for both normal and oblique incidences, using a linear dispersionless time-dependent acoustic frame in a two-dimensional system. Roughness effects can be directly considered within the computations without relying on approximate analytical formulae. Analysis by spatio-temporal Fourier transform allows us to observe the diffraction effects and the conversion of polarization. Frequency-dependent energy transmission coefficients are computed for symmetric and asymmetric objects that are both subject to reciprocity. We demonstrate that the phononic array acts as an efficient thermal barrier by applying the theory of thermal boundary (Kapitza) resistances to arrays of smooth scattering holes in silicon for an exemplifying periodicity of 10 nm in the 5–100 K temperature range. It is observed that the associated thermal conductance has the same temperature dependence as that without phononic filtering.

Description: Glycerol and dimethyl sulfoxide (DMSO) are commonly used cryoprotectants in cellular systems, but due to the challenges of measuring the properties of surface-bound solvent, fundamental questions remain regarding the concentration, interactions, and conformation of these solutes at lipid membrane surfaces. We measured the surface water diffusivity at gel-phase dipalmitoylphosphatidylcholine (DPPC) bilayer surfaces in aqueous solutions containing ≤7.5 mol. % of DMSO or glycerol using Overhauser dynamic nuclear polarization. We found that glycerol similarly affects the diffusivity of water near the bilayer surface and that in the bulk solution (within 20%), while DMSO substantially increases the diffusivity of surface water relative to bulk water. We compare these measurements of water dynamics with those of equilibrium forces between DPPC bilayers in the same solvent mixtures. DMSO greatly decreases the range and magnitude of the repulsive forces between the bilayers, whereas glycerol increases it. We propose that the differences in hydrogen bonding capability of the two solutes leads DMSO to dehydrate the lipid head groups, while glycerol affects surface hydration only as much as it affects the bulk water properties. The results suggest that the mechanism of the two most common cryoprotectants must be fundamentally different: in the case of DMSO by decoupling the solvent from the lipid surface, and in the case of glycerol by altering the hydrogen bond structure and intermolecular cohesion of the global solvent, as manifested by increased solvent viscosity.

Description: The trans -urocanic acid, a UV chromophore in the epidermis of human skin, was found to exhibit a wavelength dependent isomerization property. The isomerization quantum yield to cis -urocanic is greatest when being excited to the S 1 state, whereas exciting the molecule to the S 2 state causes almost no isomerization. The comparative photochemical behavior of the trans -urocanic on the S 1 and S 2 states continues to be the subject of intense research effort. This study is concerned with the unique photo-behavior of this interesting molecule on the S 2 state. Combining the on-the-fly surface hopping dynamics simulations and static electronic structure calculations, three decay channels were observed following excitation to the S 2 state. An overwhelming majority of the molecules decay to the S 1 state through a planar or pucker characterized minimum energy conical intersection (MECI), and then decay to the ground state along a relaxation coordinate driven by a pucker deformation of the ring. A very small fraction of molecules decay to the S 1 state by a MECI characterized by a twisting motion around the CC double bond, which continues to drive the molecule to deactivate to the ground state. The latter channel is related with the photoisomerization process, whereas the former one will only generate the original trans -form products. The present work provides a novel S 2 state decay mechanism of this molecule, which offers useful information to explain the wavelength dependent isomerization behavior.

Description: Our discussion here mainly focuses on the formation of singularities for solutions to the N -dimensional Euler-Poisson equations with attractive forces, in radial symmetry. Motivated by the integration method of Yuen, we prove two blow-up results under the conditions that the solutions have compact radius R ( t ) or have no compact support restriction, which generalize the ones Yuen obtained in 2011 [M. W. Yuen, “Blowup for the C 1 solution of the Euler-Poisson equations of gaseous stars in R N ,” J. Math. Anal. Appl. 383 , 627-633 (2011)].

Description: This paper presents the performance of a wind power system under failures in the lubricant system, and a procedure is proposed to detect the failure. According to the fact that the friction torque caused by the lubricant system, failure makes the maximum power point (MPP) of the wind system to be smaller than that of normal operation; for MPP tracking operations, the difference between actual and simulated (estimated) output power of the wind system is an indicator for the lubricant system failure. However, for non-MPP tracking operations, in which the demanded power is small enough to be satisfied by the failed wind system, the above indicator cannot be used to detect the lubricant system failure. In this case, the predetermined angular shaft speed ratio is used to detect the lubricant system failure. Moreover, the converter failure is considered in this paper, and a model-based fault detection filter is designed to detect the DC/DC converter failure in a wind system. The proposed detection filter consists of an observer combined with a residual signal generator, where the driving torque is assumed as an unknown bounded input in the proposed failure detection scheme. Numerical simulation results support the proposed detection procedures.

Description: The structure and connectivity of cultured neuronal networks can be controlled by using micropatterned surfaces. Here, we demonstrate that the direction of signal propagation can be precisely controlled at a single-cell resolution by growing primary neurons on micropatterns. To achieve this, we first examined the process by which axons develop and how synapses form in micropatterned primary neurons using immunocytochemistry. By aligning asymmetric micropatterns with a marginal gap, it was possible to pattern primary neurons with a directed polarization axis at the single-cell level. We then examined how synapses develop on micropatterned hippocampal neurons. Three types of micropatterns with different numbers of short paths for dendrite growth were compared. A normal development in synapse density was observed when micropatterns with three or more short paths were used. Finally, we performed double patch clamp recordings on micropatterned neurons to confirm that these synapses are indeed functional, and that the neuronal signal is transmitted unidirectionally in the intended orientation. This work provides a practical guideline for patterning single neurons to design functional neuronal networks in vitro with the direction of signal propagation being controlled.

Description: Diffraction gratings are used from micron to nanometer wavelengths as dispersing elements in optical instruments. At shorter wavelengths, crystals can be used as diffracting elements, but due to the 3D nature of the interaction with light are wavelength selective rather than wavelength dispersing. There is an urgent need to extend grating technology into the x-ray domain of wavelengths from 1 to 0.1 nm, but this requires the use of gratings that have a faceted surface in which the facet angles are very small, typically less than 1°. Small facet angles are also required in the extreme ultra-violet and soft x-ray energy ranges in free electron laser applications, in order to reduce power density below a critical damage threshold. In this work, we demonstrate a technique based on anisotropic etching of silicon designed to produce very small angle facets with a high degree of perfection.

Description: In silicon thin-film solar cells the interface between the i- and p-layer is the most critical. In the case of back diffusion of photogenerated minority carriers to the i/p-interface, recombination occurs mainly on the defect states at the interface. To suppress this effect and to reduce recombination losses, hydrogen plasma treatment (HPT) is usually applied. As an alternative to using state of the art HPT we apply an argon plasma treatment (APT) before the p-layer deposition in n-i-p solar cells. To study the effect of APT, several investigations were applied to compare the results with HPT and no plasma treatment at the interface. Carrier collection losses in resulting solar cells were examined with spectral response measurements with and without bias voltage. To investigate single layers, surface photovoltage and X-ray photoelectron spectroscopy (XPS) measurements were conducted. The results with APT at the i/p-interface show a beneficial contribution to the carrier collection compared with HPT and no plasma treatment. Therefore, it can be concluded that APT reduces the recombination centers at the interface. Further, we demonstrate that carrier collection losses of thin-film solar cells are significantly lower with APT.

Description: A nonlinear wideband generator architecture by clamping the cantilever beam generator with a curve fixture is proposed. Devices with different nonlinear stiffness can be obtained by properly choosing the fixture curve according to the design requirements. Three available generator types are presented and discussed for polynomial curves. Experimental investigations show that the proposed mechanism effectively extends the operation bandwidth with good power performance. Especially, the simplicity and easy feasibility allow the mechanism to be widely applied for vibration generators in different scales and environments.

Description: Ion acceleration in near-critical plasmas driven by intense laser pulses is investigated theoretically and numerically. A theoretical model has been given for clarification of the ion acceleration dynamics in relation to different laser and target parameters. Two distinct regimes have been identified, where ions are accelerated by, respectively, the laser-induced shock wave in the weakly driven regime (comparatively low laser intensity) and the nonlinear solitary wave in the strongly driven regime (comparatively high laser intensity). Two-dimensional particle-in-cell simulations show that quasi-monoenergetic proton beams with a peak energy of 94.6 MeV and an energy spread 15.8% are obtained by intense laser pulses at intensity I 0  = 3 × 10 20  W/cm 2 and pulse duration τ  = 0.5 ps in the strongly driven regime, which is more advantageous than that got in the weakly driven regime. In addition, 233 MeV proton beams with narrow spread can be produced by extending τ to 1.0 ps in the strongly driven regime.

Description: The validity of virial analysis to infer global MHD equilibrium poloidal beta β p and internal inductance ℓ i from external magnetics measurements is examined for low aspect ratio configurations with A 〈 2 . Numerical equilibrium studies at varied aspect ratio are utilized to validate the technique at finite aspect ratio. The effect of applying high- A approximations to low- A experimental data is quantified and demonstrates significant over-estimation of stored energy (factors of 2–10) in spherical tokamak geometry. Experimental approximations to equilibrium-dependent volume integral terms in the analysis are evaluated at low- A . Highly paramagnetic configurations are found to be inadequately represented through the virial mean radius parameter R T . Alternate formulations for inferring β p and ℓ i that are independent of R T to avoid this difficulty are presented for the static isotropic limit. These formulations are suitable for fast estimation of tokamak stored energy components at low aspect ratio using virial analysis.

Description: Interplay between structural disorder and magnetic interaction is investigated here for a multiferroic candidate material, CdCr 2 Se 4 . Ferromagnetic order in CdCr 2 Se 4 sets in below T C  ∼ 130 K as a result of competition between the direct Cr-Cr spin coupling and the near neighbour Cr-Se-Cr exchange interactions. Hence, a small change in the crystal structure is expected to drastically affect its magnetic order. In this report, local lattice distortions within the overall cubic symmetry were brought about by replacing a small percentage of Se by isovalent S . Detailed crystal structure study using EXAFS and Raman Spectroscopy reflects the presence of local distortions within the overall cubic symmetry. Contrary to the expectation, magnetic properties of the substituted compositions do not show any drastic changes. Though, a signature of spin-phonon coupling is present across the magnetic ordering temperature. No structural phase transition occurs within the investigated temperature range of 80–300 K.

Description: In this paper, we studied the localized surface plasmon polariton (SPP) resonance in hole arrays in transparent conducting aluminum-doped zinc oxide (AZO). CMOS-compatible fabrication process was demonstrated for the AZO devices. The localized SPP resonance was observed and confirmed by electromagnetic simulations. Using a standing wave model, the observed SPP was dominated by the standing-wave resonance along (1,1) direction in square lattices. This research lays the groundwork for a fabrication technique that can contribute to the core technology of future integrated photonics through its extension into tunable conductive materials.

Description: In the initial alignment process of strapdown inertial navigation system (SINS), large misalignment angles always bring nonlinear problem, which can usually be processed using the scaled unscented Kalman filter (SUKF). In this paper, the problem of large misalignment angles in SINS alignment is further investigated, and the strong tracking scaled unscented Kalman filter (STSUKF) is proposed with fixed parameters to improve convergence speed, while these parameters are artificially constructed and uncertain in real application. To further improve the alignment stability and reduce the parameters selection, this paper proposes a fuzzy adaptive strategy combined with STSUKF (FUZZY-STSUKF). As a result, initial alignment scheme of large misalignment angles based on FUZZY-STSUKF is designed and verified by simulations and turntable experiment. The results show that the scheme improves the accuracy and convergence speed of SINS initial alignment compared with those based on SUKF and STSUKF.

Description: An optical Thomson scattering diagnostic has been designed for the National Ignition Facility to characterize under-dense plasmas. We report on the design of the system and the expected performance for different target configurations. The diagnostic is designed to spatially and temporally resolve the Thomson scattered light from laser driven targets. The diagnostic will collect scattered light from a 50 × 50 × 200 μ m volume. The optical design allows operation with different probe laser wavelengths. A deep-UV probe beam ( λ 0 = 210 nm) will be used to Thomson scatter from electron plasma densities of ∼5 × 10 20 cm −3 while a 3 ω probe will be used for plasma densities of ∼1 × 10 19 cm −3 . The diagnostic package contains two spectrometers: the first to resolve Thomson scattering from ion acoustic wave fluctuations and the second to resolve scattering from electron plasma wave fluctuations. Expected signal levels relative to background will be presented for typical target configurations (hohlraums and a planar foil).

Description: We studied the optical absorption and luminescence of agate (SiO 2 ), topaz (Al 2 [SiO 4 ](F,OH) 2 ), beryl (Be 3 Al 2 Si 6 O 18 ), and prehnite (Ca 2 Al(AlSi 3 O 10 )(OH) 2 ) doped with different concentrations of transition metal ions and exposed to fast neutron irradiation. The exchange interaction between the impurity ions and the defects arising under neutron irradiation causes additional absorption as well as bands' broadening in the crystals. These experimental results allow us to suggest the method for obtaining new radiation-defect induced jewellery colors of minerals due to neutron irradiation.

Description: We analyzed carefully the experimental kinetics of the low-temperature diffusion-controlled F, H center recombination in a series of irradiated alkali halides and extracted the migration energies and pre-exponential parameters for the hole H centers. The migration energy for the complementary electronic F centers in NaCl was obtained from the colloid formation kinetics observed above room temperature. The obtained parameters were compared with data available from the literature.

Description: The effect of low-temperature uniaxial deformation on the self-trapping-limited mean free path of excitons in a KI–Tl crystal was revealed from x-ray luminescence spectra. The analysis of the dependence of the intensity ratio of the Tl-center emission (2.85 eV) and the luminescence of self-trapped excitons (π-component; 3.3 eV) on the extent of low-temperature deformation showed that in the KI–Tl crystal (3 × 10 −3 mol. %) the self-trapping-limited mean free path of excitons is comparable with the distance between Tl atoms (20–27) a under a deformation ε = 2%. As the compression increases to ε ≥ 2%–5%, the mean free path drops to (27-5.35) a . The results of modeling based on the continuum approximation showed that with increasing temperature and the degree of low-temperature deformation the height of the potential barrier for the exciton self-trapping drops, which is consistent with the reduction of the mean free path of excitons in the KI–Tl crystal.

Description: Free volume and pore size distribution size in functional micro and macro-micro-modified Cu 0.4 Co 0.4 Ni 0.4 Mn 1.8 O 4 ceramics are characterized by positron annihilation lifetime spectroscopy in comparison with Hg-porosimetry and scanning electron microscopy technique. Positron annihilation results are interpreted in terms of model implication positron trapping and ortho-positronium decaying. It is shown that free volume of positron traps are the same type for macro and micro modified Cu 0.4 Co 0.4 Ni 0.4 Mn 1.8 O 4 ceramics. Classic Tao-Eldrup model in spherical approximation is used to calculation of the size of nanopores smaller than 2 nm using the ortho-positronium lifetime.

Description: In order to predict optical properties of insulating materials under intensive laser excitation, we generalized methods of quantum electrodynamics, allowing us to simulate excitation of electrons and holes, interacting with each other and acoustic phonons. The prototypical model considers a two-band dielectric material characterized by the dispersion relations for electron and hole states. We developed a universal description of excited electrons, holes and acoustic phonons within joint quantum kinetics formalism. Illustrative solutions for the quasiparticle birth-annihilation operators, applicable at short laser pulses at 0 K, are obtained by the transition from the macroscopic description to the quantum field formalism.

Description: Monoclinic antiferromagnetic NiWO 4 was studied by far-infrared (30–600 cm −1 ) absorption spectroscopy in the temperature range of 5–300 K using the synchrotron radiation from SOLEIL source. Two isomorphous CoWO 4 and ZnWO 4 tungstates were investigated for comparison. The phonon contributions in the far-infrared range of tungstates were interpreted using the first-principles spin-polarized linear combination of atomic orbital calculations. No contributions from magnetic excitations were found in NiWO 4 and CoWO 4 below their Neel temperatures down to 5 K.

Description: The creation spectrum of stable F centres (being part of F-H pairs of Frenkel defects) by synchrotron radiation of 7–40 eV has been measured for highly pure NaCl single crystals at 12 K using a highly sensitive luminescent method. It is shown that the efficiency of F centre creation in a closely packed NaCl is low at the decay of anion or cation excitons (7.8–8.4 and 33.4 eV, respectively) or at the recombination of relaxed conduction electrons and valence holes. Only the recombination of nonrelaxed (hot) electrons with holes provides the energy exceeding threshold value E FD , which is sufficient for the creation of Frenkel defects at low temperature.

Description: An unambiguous attribution of the absorption spectra to definite paramagnetic centres identified by the EPR techniques in the most cases is problematic. This problem may be solved by applying of a direct measurement techniques—the EPR detected via the magnetic circular dichroism, or briefly MCD–EPR. The present survey reports on the advantages and disadvantages applying the MCD–EPR techniques to simple and complex paramagnetic centres in crystals as well as glasses and glass-ceramics.

Description: Luminescence properties of SiO 2 in different structural states are compared. Similar comparison is made for GeO 2 . Rutile and α-quartz structures as well as glassy state of these materials are considered. Main results are that for α-quartz crystals the luminescence of self-trapped exciton is the general phenomenon that is absent in the crystal with rutile structure. In rutile structured SiO 2 (stishovite) and GeO 2 (argutite) the main luminescence is due to a host material defect existing in as-received (as-grown) samples. The defect luminescence possesses specific two bands, one of which has a slow decay (for SiO 2 in the blue and for GeO 2 , in green range) and another, a fast ultraviolet (UV) band (4.75 eV in SiO 2 and at 3 eV in GeO 2 ). In silica and germania glasses, the luminescence of self-trapped exciton coexists with defect luminescence. The latter also contains two bands: one in the visible range and another in the UV range. The defect luminescence of glasses was studied in details during last 60–70 years and is ascribed to oxygen deficient defects. Analogous defect luminescence in the corresponding pure nonirradiated crystals with α-quartz structure is absent. Only irradiation of a α-quartz crystal by energetic electron beam, γ-rays and neutrons provides defect luminescence analogous to glasses and crystals with rutile structure. Therefore, in glassy state the structure containing tetrahedron motifs is responsible for existence of self-trapped excitons and defects in octahedral motifs are responsible for oxygen deficient defects.

Description: The ground state properties of cubic scandium trifluoride (ScF 3 ) perovskite were studied using first-principles calculations. The electronic structure of ScF 3 was determined by linear combination of atomic orbital (LCAO) and plane wave projector augmented-wave (PAW) methods using modified hybrid exchange-correlation functionals within the density functional theory (DFT). The comprehensive comparison of the results obtained by two methods is presented. Both methods allowed us to reproduce the lattice constant found experimentally in ScF 3 at low temperatures and to predict its electronic structure in good agreement with known experimental valence-band photoelectron and F 1 s x-ray absorption spectra.

Description: Photoluminescence and excitation spectra of microcrystalline and nanocrystalline nickel tungstate (NiWO 4 ) were measured using UV-VUV synchrotron radiation source. The origin of the bands is interpreted using comparative analysis with isostructural ZnWO 4 tungstate and based on the results of recent first-principles band structure calculations. The influence of the local atomic structure relaxation and of Ni 2+ intra-ion d–d transitions on the photoluminescence band intensity are discussed.

Description: In this paper a novel method for synthesis of LaInO 3 :Er 3+ is reported and upconversion luminescence properties of the synthesized material at different temperatures (9–300 K) are studied. The samples were prepared by co-precipitation and subsequent heat treatment of lanthanum, indium and erbium hydroxides. It is shown that the excitation at 980 nm leads to a strong green upconversion luminescence in the material. At the concentrations above 0.1 mol. % of Er 3+ the energy transfer upconversion mechanism of the luminescence becomes evident. Further increase of Er 3+ content in the material leads to higher red-to-green upconversion luminescence intensity ratio. The mechanisms responsible for the observed variation are discussed.

Description: Possible proximity effects in gases of cold, multiply charged atoms are discussed. Here we deal with rarefied gases with densities n d of multiply charged ( Z ≫ 1) atoms at low temperatures in the well-known Thomas-Fermi (TF) approximation, which can be used to evaluate the statistical properties of single atoms. In order to retain the advantages of the TF formalism, which is successful for symmetric problems, the external boundary conditions accounting for the finiteness of the density of atoms (donors), n d ≠ 0, are also symmetrized (using a spherical Wigner-Seitz cell) and formulated in a standard way that conserves the total charge within the cell. The model shows that at zero temperature in a rarefied gas of multiply charged atoms there is an effective long-range interaction E proxi ( n d ), the sign of which depends on the properties of the outer shells of individual atoms. The long-range character of the interaction E proxi is evaluated by comparing it with the properties of the well-known London dispersive attraction E Lond ( n d ) 〈 0, which is regarded as a long-range interaction in gases. For the noble gases argon, krypton, and xenon E proxi 〉0 and for the alkali and alkaline-earth elements E proxi 〈 0. At finite temperatures, TF statistics manifests a new, anomalously large proximity effect, which reflects the tendency of electrons localized at Coulomb centers to escape into the continuum spectrum. The properties of thermal decay are interesting in themselves as they determine the important phenomenon of dissociation of neutral complexes into charged fragments. This phenomenon appears consistently in the TF theory through the temperature dependence of the different versions of E proxi . The anomaly in the thermal proximity effect shows up in the following way: for T ≠ 0 there is no equilibrium solution of TS statistics for single multiply charged atoms in a vacuum when the effect is present. Instability is suppressed in a Wigner-Seitz model under the assumption that there are no electron fluxes through the outer boundary R 3 ∝ n −1 d of a Wigner-Seitz cell. E proxi corresponds to the definition of the correlation energy in a gas of interacting particles. This review is written so as to enable comparison of the results of the TF formalism with the standard assumptions of the correlation theory for classical plasmas. The classic example from work on weak solutions (including charged solutions)—the use of semi-impermeable membranes for studies of osmotic pressure—is highly appropriate for problems involving E proxi . Here we are speaking of one or more sharp boundaries formed by the ionic component of a many-particle problem. These may be a metal-vacuum boundary in a standard Casimir cell in a study of the vacuum properties in the 2 l gap between conducting media of different kinds or different layered systems (quantum wells) in semiconductors, etc. As the mobile part of the equilibrium near a sharp boundary, electrons can (should) escape beyond the confines of the ion core into a gap 2 l with a probability that depends, among other factors, on the properties of E proxi for the electron cloud inside the conducting walls of the Casimir cell (quantum well). The analog of the Casimir sandwich in semiconductors is the widely used multilayer heterostructures referred to as quantum wells of width 2 l with sides made of suitable doped materials, which ensure statistical equilibrium exchange of electrons between the layers of the multilayer structure. The thermal component of the proximity effects in semiconducting quantum wells provides an idea of many features of the dissociation process in doped semiconductors. In particular, a positive E proxi 〉 0 (relative to the bottom of the conduction band) indicates that TF donors with a finite density n d ≠ 0 form a degenerate, semiconducting state in the semiconductor. At zero temperature, there is a finite density of free carriers which increases with a power-law dependence on T .

Description: This paper presents a scheme for the generation of high power terahertz radiation by the beating of two femtosecond super Gaussian lasers in plasma having dc electric field in the transverse direction. In this mechanism, a strong nonlinear ponderomotive force acts on the plasma electrons at the frequency difference of the two lasers ( ω 1 − ω 2 ) that imparts a nonlinear oscillatory velocity to plasma electrons which further result in the generation of a nonlinear current at this difference frequency (lying in THz domain). The dynamical equations governing the generation of THz waves have been solved semi-analytically; the result shows that the amplitude of the generated waves is considerably enhanced in the presence of dc electric field, and the index of super Gaussian beams also plays a keen role in governing the yield of THz waves.

Description: We present results from the comparison of high-resolution three-dimensional (3D) simulations with data from the implosions of inertial confinement fusion capsules with separated reactants performed on the OMEGA laser facility. Each capsule, referred to as a “CD Mixcap,” is filled with tritium and has a polystyrene (CH) shell with a deuterated polystyrene (CD) layer whose burial depth is varied. In these implosions, fusion reactions between deuterium and tritium ions can occur only in the presence of atomic mix between the gas fill and shell material. The simulations feature accurate models for all known experimental asymmetries and do not employ any adjustable parameters to improve agreement with experimental data. Simulations are performed with the RAGE radiation-hydrodynamics code using an Implicit Large Eddy Simulation (ILES) strategy for the hydrodynamics. We obtain good agreement with the experimental data, including the DT/TT neutron yield ratios used to diagnose mix, for all burial depths of the deuterated shell layer. Additionally, simulations demonstrate good agreement with converged simulations employing explicit models for plasma diffusion and viscosity, suggesting that the implicit sub-grid model used in ILES is sufficient to model these processes in these experiments. In our simulations, mixing is driven by short-wavelength asymmetries and longer-wavelength features are responsible for developing flows that transport mixed material towards the center of the hot spot. Mix material transported by this process is responsible for most of the mix (DT) yield even for the capsule with a CD layer adjacent to the tritium fuel. Consistent with our previous results, mix does not play a significant role in TT neutron yield degradation; instead, this is dominated by the displacement of fuel from the center of the implosion due to the development of turbulent instabilities seeded by long-wavelength asymmetries. Through these processes, the long-wavelength asymmetries degrade TT yield more than the DT yield and thus bring DT/TT neutron yield ratios into agreement with experiment. Finally, we present a detailed comparison of the flows in 2D and 3D simulations.

Description: Anomalous current pinch, in addition to the anomalous diffusion due to stochastic magnetic perturbations, is theoretically found, which may qualitatively explain the recent DIII-D experiment on resonant magnetic field perturbation. The anomalous current pinch, which may resolve the long-standing issue of seed current in a fully bootstrapped tokamak, is also discussed for the electrostatic turbulence.

Description: The parametric decay of large amplitude non-resonant beating mode of counter-propagating lasers (having a frequency difference ≥ 2 ω p ) into a pair of upper hybrid waves is studied in magnetized plasma. One of the excited upper hybrid waves (known as fast wave) having phase velocity close to c , can be utilized for electron acceleration. The coupled mode equations of fast and slow upper hybrid waves are modelled by solving equation of motion and continuity equation simultaneously (using the density perturbation technique) to derive the dispersion relation for two plasmon decay process. The growth rate of the present excitation process using right circularly polarized beating lasers is higher as compared with the growth rates of the excitation processes using ordinary and extraordinary beating lasers. However, the growth rate is not significant in the case of left circularly polarized beating lasers. The growth rate ∼ 0.15 ω p s − 1 is achieved for right circularly polarized beating lasers having v 1 , 2 / c = 0.1 for scattering angle θ s ∼ 160 ° and applied magnetic field ∼ 90 T. The growth rate of fast upper hybrid wave was reduced with the applied axial magnetic field in the present case. The present work is not only significant for the electron acceleration by fast upper hybrid wave but also for diagnostic purpose.

Description: This work presents a numerical investigation, using a 1-D fluid model, on the generation and loss of oxygen-related species and the spatial-temporal evolutions of the species densities in the atmospheric-pressure pulsed dielectric barrier discharge in the argon/oxygen mixture. The reaction pathways as well as their contributions to the generation and loss of oxygen-related species are given. The considered oxygen-related species include O, O( 1 D), O 2 ( 1 Δ g ), O 3 , O + , O 2 + , O − , O 2 − , and O 3 − . The following significant results are obtained. O, O( 1 D), O 2 ( 1 Δ g ), and O − are produced mainly via the electron impact with O 2 . Ar + plays an essential role in the generation of O + and O 2 + . Almost all of O 3 derives from the reaction O 2 + O 2 + O → O 3 + O 2 . The O 3 -related reactions produce an essential proportion of O 2 − and O 3 − . The substantial loss of O − , O 2 − , and O 3 − is induced by their reactions with O 2 + . Loss of O + , O, and O( 1 D) is mainly due to their reactions with O 2 , loss of O 2 ( 1 Δ g ) due to O 2 ( 1 Δ g ) impacts with O 3 as well as the de-excitation reactions between O 2 ( 1 Δ g ) and e, O 2 , and O, and loss of O 3 due to the reactions between O 3 and other neutral species. In addition, the densities of O + and O( 1 D) present two obvious peaks at the pulse duration, but the densities of O 2 + , O, O 2 ( 1 Δ g ), and O 3 are almost unchanged. The densities of negative oxygen ions increase at the pulse duration and then decline. O − density is obviously large nearby the dielectric surfaces and the densities of O 2 − and O 3 − present generally uniform distributions.

Description: Thanks to new electron detectors, cryoelectron microscopy is experiencing a revolution. It can now solve the structures of small biomolecules at high resolution.

Description: The search for the hypothetical state has been a 43-year-long slog, one whose end may now be in sight.

Description: Deeply committed to the cause of Indian independence, Saha occasionally detoured from his physics to conduct a revolutionary mission or pen a populist manifesto.

Description: In the quarter century since the US last exploded a nuclear weapon, an extensive research enterprise has maintained the resources and know-how needed to preserve confidence in the country’s stockpile.

Description: The energy distribution of photons produced in a rare neutron-decay mode has now been measured.

Description: At geological pressures and temperatures, xenon can form a host of stable oxides.

Description: Theory for neoclassical toroidal plasma viscosity has been developed to model transport phenomena, especially, toroidal plasma rotation for tokamaks with broken symmetry. Theoretical predictions are in agreement with the results of the numerical codes in the large aspect ratio limit. The theory has since been extended to include effects of finite aspect ratio and finite plasma β . Here, β is the ratio of the plasma thermal pressure to the magnetic field pressure. However, there are cases where the radial wavelength of the self-consistent perturbed magnetic field strength B on the perturbed magnetic surface is comparable to the width of the trapped particles, i.e., bananas. To accommodate those cases, the theory for neoclassical toroidal plasma viscosity is further extended here to include the effects of the finite banana width. The extended theory is developed using the orbit averaged drift kinetic equation in the low collisionality regimes. The results of the theory can now be used to model plasma transport, including toroidal plasma rotation, in real finite aspect ratio, and finite plasma β tokamaks with the radial wavelength of the perturbed symmetry breaking magnetic field strength comparable to or longer than the banana width.

Description: Boot camps can help researchers transition into nonacademic jobs that use big data.

Description: A telescope’s renovation leads to an outreach reinvention.

Description: The lab wants to build on existing connections with Mexico and Central and South America as it begins to build a flagship neutrino lab.

Description: Accelerators could replace dangerous cobalt-60 as a sterilization option, but cost may be prohibitive.

Description: With the help of surveys and statistics, we tried to optimize the order in which we presented astronomy concepts. But students persisted in retaining wrong ideas about them.

Description: Computer based diagnosis of Alzheimer’s disease can be performed by dint of the analysis of the functional and structural changes in the brain. Multispectral image fusion deliberates upon fusion of the complementary information while discarding the surplus information to achieve a solitary image which encloses both spatial and spectral details. This paper presents a Non-Sub-sampled Contourlet Transform (NSCT) based multispectral image fusion model for computer-aided diagnosis of Alzheimer’s disease. The proposed fusion methodology involves color transformation of the input multispectral image. The multispectral image in YIQ color space is decomposed using NSCT followed by dimensionality reduction using modified Principal Component Analysis algorithm on the low frequency coefficients. Further, the high frequency coefficients are enhanced using non-linear enhancement function. Two different fusion rules are then applied to the low-pass and high-pass sub-bands: Phase congruency is applied to low frequency coefficients and a combination of directive contrast and normalized Shannon entropy is applied to high frequency coefficients. The superiority of the fusion response is depicted by the comparisons made with the other state-of-the-art fusion approaches (in terms of various fusion metrics).

Description: In recent years, the interest in hybrid organic–inorganic perovskites has increased at a rapid pace due to their tremendous success in the field of thin film solar cells. This area closely ties together fundamental solid state research and device application, as it is necessary to understand the basic material properties to optimize the performances and open up new areas of application. In this regard, the energy levels and their respective alignment with adjacent charge transport layers play a crucial role. Currently, we are lacking a detailed understanding about the electronic structure and are struggling to understand what influences the alignment, how it varies, or how it can be intentionally modified. This research update aims at giving an overview over recent results regarding measurements of the electronic structure of hybrid perovskites using photoelectron spectroscopy to summarize the present status.

Description: A self-powered photodetector with ultrahigh sensitivity, fast photoresponse, and wide spectral detectivity covering from 1000 nm to 400 nm based on graphene/ZnO/Si triple junctions has been designed, fabricated, and demonstrated. In this device, graphene serves as a transparent electrode as well as an efficient collection layer for photogenerated carriers due to its excellent tunability of Fermi energy. The ZnO layer acts as an antireflection layer to trap the incident light and enhance the light absorption. Furthermore, the insertion of the ZnO layer in between graphene and Si layers can create build-in electric field at both graphene/ZnO and ZnO/Si interfaces, which can greatly enhance the charge separation of photogenerated electron and hole pairs. As a result, the sensitivity and response time can be significantly improved. It is believed that our methodology for achieving a high-performance self-powered photodetector based on an appropriate design of band alignment and optical parameters can be implemented to many other material systems, which can be used to generate unique optoelectronic devices for practical applications.

Description: We report the direct growth of graphene on a dielectric SiO 2 surface by utilizing complementary metal oxide semiconductor compatible germane as a gas-phase catalyst. Results of Raman spectroscopy and XPS confirmed that the synthesized graphene consist of a sp 2 hybridized carbon network. We were able to fabricate graphene field effect transistors without the wet etching process, and the calculated mobility was ∼160 cm 2 /V·s at high carrier concentration ( n  = 3 × 10 12 cm −2 ). Furthermore, the crystallinity and morphology of graphene is easily controlled from single-layer graphene to graphene nanowall structures by adjusting the reaction conditions. The results of this study verify the promising catalytic graphene growth method on a non-catalytic insulating surface without metal contaminations.

Description: Electrostatic ion acceleration across a diverging magnetic field, which is generated by a solenoid coil, permanent magnets, and a yoke between an upstream ring anode and a downstream off-axis hollow cathode, is investigated. The cathode is set in an almost magnetic-field-free region surrounded by a cusp. Inside the ring anode, an insulating wall is set to form an annular slit through which the working gas is injected along the anode inner surface, so the ionization of the working gas is enhanced there. By supplying 1.0 Aeq of argon as working gas with a discharge voltage of 225 V, the ion beam energy reached about 60% of a discharge voltage. In spite of this unique combination of electrodes and magnetic field, a large electrical potential drop is formed almost in the axial direction, located slightly upstream of the magnetic-field-free region. The ion beam current almost equals the equivalent working gas flow rate. These ion acceleration characteristics are useful for electric propulsion in space.

Description: Silicon nanostructures with reduced dimensionality, such as nanowires, membranes, and thin films, are promising thermoelectric materials, as they exhibit considerably reduced thermal conductivity. Here, we utilize density functional theory and Boltzmann transport equation to compute the electronic properties of ultra-thin crystalline silicon membranes with thickness between 1 and 12 nm. We predict that an optimal thickness of ∼7 nm maximizes the thermoelectric figure of merit of membranes with native oxide surface layers. Further thinning of the membranes, although attainable in experiments, reduces the electrical conductivity and worsens the thermoelectric efficiency.

Description: The charge transport mechanism of electron via traps in amorphous SiO 2 has been studied. Electron transport is limited by phonon-assisted tunneling between traps. Thermal and optical trap energies W t = 1.6 eV, W opt = 3.2 eV, respectively, were determined. Charge flowing leads to oxygen vacancies generation, and the leakage current increases due to the increase of charge trap density. Long-time annealing at high temperatures decreased the leakage current to initial values due to oxygen vacancies recombination with interstitial oxygen. It is found that the oxygen vacancies act as electron traps in SiO 2 .

Description: Particle separation plays an important role in microfluidic sample preparation for various biomedical applications. In this paper, we report a particle manipulation and separation scheme using a microfluidic device based on low-volume/low-voltage electrokinetic frequency modulation. Utilizing a circular micro-electrode array, both electroosmosis and dielectrophoresis can be contributed to manipulate particles in the device by controlling the frequency of applied sinusoidal travelling wave signals. Theoretical simulations based on finite-element methods are employed to establish fundamental understanding of the developed scheme. For experimental demonstration, polystyrene beads (6  μ m in diameter) and human promyelocytic leukaemia cells (HL-60) are used to validate the frequency-modulation effect. Furthermore, different diameter polystyrene beads (6  μ m and 10  μ m in diameter) are mixed to show potentials of precise particle separations (∼90% efficiency) by the reported frequency-controlled electrokinetic device. The developed technique can be exploited as an actuation scheme and particle manipulation method for microfluidic sample preparations of low ionic concentration samples.

Description: We use powder X-ray diffraction to evaluate the temperature dependence of the crystalline properties during the magnetic phase transition of La(Fe,Mn,Si) 13 H z as a function of the Fe/Mn/Si ratio. Both the paramagnetic and ferromagnetic phases were observed as peak overlaps in the patterns around the Curie temperature ( T C ) occurring continuously in a temperature range of about 5 K around T C. Using the Williamson-Hall method, we evaluate the strain developing in the crystallites during the transition and find that it is associated with the growth of the paramagnetic phase as the transition occurs. Based on our measurements and microstructure analyses, we propose that cracking during the phase transition is due to or aggravated by the small content of a La-rich phase.

Description: The relevance for modern computation of non-volatile high-frequency memories makes ac-transport measurements of magnetic tunnel junctions (MTJs) crucial for exploring this regime. Here, we demonstrate a frequency-mediated effect in which the tunnel magnetoimpedance reverses its sign in a classical Co/Al 2 O 3 /NiFe MTJ, whereas we only observe a gradual decrease in the tunnel magnetophase. Such effects are explained by the capacitive coupling of a parallel resistor and capacitor in the equivalent circuit model of the MTJ. Furthermore, we report a positive tunnel magnetocapacitance effect, suggesting the presence of a spin-capacitance at the two ferromagnet/tunnel-barrier interfaces. Our results are important for understanding spin transport phenomena at the high frequency regime in which the spin-polarized charge accumulation due to spin-dependent penetration depth at the two interfaces plays a crucial role.

Description: Index-near-zero materials can be used for effective photon management. They help to restrict the angle of acceptance, resulting in greatly enhanced light trapping limit. In addition, these materials also decrease the radiative recombination, leading to enhanced open circuit voltage and energy efficiency in direct bandgap solar cells.

Description: An ultra-wideband and high-efficiency polarization rotator based on a metasurface is proposed in this paper. The unit cell of the proposed polarization rotator consists of two pairs of L-shaped metallic patches printed on a substrate, which is backed by a metallic ground and covered by a superstrate. The superstrate is composed of a dielectric layer and a pair of L-shaped metallic patches printed on the dielectric layer. The proposed polarization rotator can rotate the polarization of linearly polarized electromagnetic (EM) wave to its orthogonal counterpart after reflection when the incident EM wave is y-/x-polarized. Simulated results show that the polarization rotator can perform 90° polarization rotation with very high efficiency at seven different frequencies and achieve a polarization conversion ratio higher than 0.9 in the frequency range of 7.8–34.7 GHz at normal incidence. Good agreement between the experimental results and simulated ones has been obtained.

Description: In this work, we describe an alternative strategy for the development of heat assisted magnetic recording media. In our approach, the need for a storage material with a temperature dependent anisotropy and to provide a read out signal is separated so that each function can be optimised independently. This is achieved by the use of an exchange bias structure where a conventional CoCrPt-SiO 2 recording layer is exchange biased to an underlayer of IrMn such that heating and cooling in the exchange field from the recording layer results in a shifted loop. This strategy requires the reorientation of the IrMn layer to allow coupling to the recording layer. This has been achieved by the use of an ultrathin (0.8 nm) layer of Co deposited beneath the IrMn layer. In this system, the information is in effect stored in the antiferromagnetic layer, and hence, there is no demagnetising field generated by the stored bits. A loop shift of 688 Oe has been achieved where both values of coercivity lie to one side of the origin and the information cannot be erased by a magnetic field.

Description: One of the most intriguing aspects of glass-forming melts is the existence of specially separated regions whose dynamics can differ from each other by several orders of magnitude and is known as dynamic heterogeneity (DH). In this letter, we have studied the growth of DH in three glass-forming metallic melts with different glass-forming ability, packing density and viscosity. The results show that when the temperature approaches the melting point, the size of DH grows exponentially in good glass-forming melts but linearly in poor ones. Additionally, the growth of DH with packing density and viscosity in the binary melt shows similar behavior, but in the ternary melt no significant change in the growth of DH exists while the viscosity increased. Interestingly, at a packing density of approximately 0.531 ± 0.003, the growth of DH is much faster in the studied metallic melts. These results indicate that the packing density of glass-forming liquids is the dominant factor that governs the growth of DH in metallic melts.

Description: We study surface ablation of dielectrics with single-shot few-cycle optical pulse (∼10 fs) in air, at intensities below and above the onset of air ionization. We perform 3D analysis and careful calibration of the fluence distribution at the laser focus, spanning from linear– to nonlinear– focusing regimes, enabling to thoroughly characterize the severe limitation of the fluence delivered onto the sample surface upon increase of incident pulse energy. Despite significant beam reshaping taking place at high fluence, we demonstrate that it is nevertheless possible to confidently predict the resulting crater profiles on fused silica surface, even in the regime of filamentation.

Description: Path integral methods provide a rigorous and systematically convergent framework to include the quantum mechanical nature of atomic nuclei in the evaluation of the equilibrium properties of molecules, liquids, or solids at finite temperature. Such nuclear quantum effects are often significant for light nuclei already at room temperature, but become crucial at cryogenic temperatures such as those provided by superfluid helium as a solvent. Unfortunately, the cost of converged path integral simulations increases significantly upon lowering the temperature so that the computational burden of simulating matter at the typical superfluid helium temperatures becomes prohibitive. Here we investigate how accelerated path integral techniques based on colored noise generalized Langevin equations, in particular the so-called path integral generalized Langevin equation thermostat (PIGLET) variant, perform in this extreme quantum regime using as an example the quasi-rigid methane molecule and its highly fluxional protonated cousin, CH 5 + . We show that the PIGLET technique gives a speedup of two orders of magnitude in the evaluation of structural observables and quantum kinetic energy at ultralow temperatures. Moreover, we computed the spatial spread of the quantum nuclei in CH 4 to illustrate the limits of using such colored noise thermostats close to the many body quantum ground state.

Description: The ionization potential (IP) of the aromatic alpha hydroxy carboxylic acid, 9-hydroxy-9-fluorene carboxylic acid (9HFCA), is shifted by complexation with hydrogen bonding ligands such as water and formic acid. Generalized Kohn-Sham energy decomposition analysis decomposes the intermolecular binding energies into a frozen energy term, polarization, correlation, and/or dispersion energy terms, as well as terms of geometric relaxation and zero point energy. We observe that in each dimer the attractive polarization always increases upon ionization, enhancing binding in the cation and shifting the IP toward the red. For 9HFCA—H 2 O, a substantial decrease of the repulsive frozen energy in cation further shifts the IP toward red. For 9HFCA—HCOOH, the increase of the frozen energy actually occurs in the cation and shifts the IP toward blue. Consistent with the experimental measurements, our analysis provides new, non-intuitive perspectives on multiple hydrogen bonds interactions in carboxylic acids and water complexes.