Optical properties of coupled metal-semiconductor and metal-molecule nanocrystal complexes: the role of multipole effects

We investigate theoretically the effects of interaction between an optical dipole (semiconductor quantum dot or molecule) and metal nanoparticles. The calculated absorption spectra of hybrid structures demonstrate strong effects of interference coming from the exciton-plasmon coupling. In particular, the absorption spectra acquire characteristic asymmetric lineshapes and strong anti-resonances. We present here an exact solution of the problem beyond the dipole approximation and find that the multipole treatment of the interaction is crucial for the understanding of strongly-interacting exciton-plasmon nano-systems. Interestingly, the visibility of the exciton resonance becomes greatly enhanced for small inter-particle distances due to the interference phenomenon, multipole effects, and electromagnetic enhancement. We find that the destructive interference is particularly strong. Using our exact theory, we show that the interference effects can be observed experimentally even in the exciting systems at room temperature.Comment: 9 page

High entropy alloys:Key issues under passionate debate

The present Viewpoint set aims at providing a summary of the recent advancements in the fundamental understanding of high entropy alloys (HEAs) as well as igniting new ideas and activities in this rapidly evolving field of use-inspired basic research. The universality of the core effects in HEAs, ranging from configurational entropy contributions to cocktailing effects are still under a passionate debate and in particular the peer-reviewed articles are meant to provide original perspectives. The various contributions are strongly opinion-based in a variety of areas including diffusion, phase transformations, deformation behavior, corrosion, metastability, structural as well as functional properties. In addition, the impact of the original metallic HEAs onto the field of oxides and ceramics has been illustrated and the role of entropy in high-entropy oxides is critically discussed

Theoretical basis and practical aspects of small specimen creep testing

Interest in and the application of small specimen creep test techniques are increasing. This is because it is only possible to obtain small samples of material in some situations, for example, the scoop samples that are removed from in-service components, the heat-affected zones that are created when welds are used to join components and the desire to produce only small amounts of material in alloy development programmes. It is therefore important to review and compare the theoretical basis and practical aspects of each of the small specimen creep testing methods, in order to clearly understand which of the methods is the best for any specific application. This article provides the theoretical basis for each commonly used test method

Ab initio Calculations of Multilayer Relaxations of Stepped Cu Surfaces

We present trends in the multilayer relaxations of several vicinals of Cu(100) and Cu(111) of varying terrace widths and geometry. The electronic structure calculations are based on density functional theory in the local density approximation with norm-conserving, non-local pseudopotentials in the mixed basis representation. While relaxations continue for several layers, the major effect concentrates near the step and corner atoms. On all surfaces the step atoms contract inwards, in agreement with experimental findings. Additionally, the corner atoms move outwards and the atoms in the adjacent chain undergo large inward relaxation. Correspondingly, the largest contraction (4%) is in the bond length between the step atom and its bulk nearest neighbor (BNN), while that between the corner atom and BNN is somewhat enlarged. The surface atoms also display changes in registry of upto 1.5%. Our results are in general in good agreement with LEED data including the controversial case of Cu(511). Subtle differences are found with results obtained from semi-empirical potentials.Comment: 21 pages and 3 figure

A Systematic Analysis of Fe II Emission in Quasars: Evidence for Inflow to the Central Black Hole

Broad Fe II emission is a prominent feature of the optical and ultraviolet spectra of quasars. We report on a systematical investigation of optical Fe II emission in a large sample of 4037 z < 0.8 quasars selected from the Sloan Digital Sky Survey. We have developed and tested a detailed line-fitting technique, taking into account the complex continuum and narrow and broad emission-line spectrum. Our primary goal is to quantify the velocity broadening and velocity shift of the Fe II spectrum in order to constrain the location of the Fe II-emitting region and its relation to the broad-line region. We find that the majority of quasars show Fe II emission that is redshifted, typically by ~ 400 km/s but up to 2000 km/s, with respect to the systemic velocity of the narrow-line region or of the conventional broad-line region as traced by the Hbeta line. Moreover, the line width of Fe II is significantly narrower than that of the broad component of Hbeta. We show that the magnitude of the Fe II redshift correlates inversely with the Eddington ratio, and that there is a tendency for sources with redshifted Fe II emission to show red asymmetry in the Hbeta line. These characteristics strongly suggest that Fe II originates from a location different from, and most likely exterior to, the region that produces most of Hbeta. The Fe II-emitting zone traces a portion of the broad-line region of intermediate velocities whose dynamics may be dominated by infall.Comment: 20 pages, 14 figures, accepted for publication in Ap

Structure and Vibrations of the Vicinal Copper (211) Surface

We report a first principles theoretical study of the surface relaxation and lattice dynamics of the Cu(211) surface using the plane wave pseudopotential method. We find large atomic relaxations for the first several atomic layers near the step edges on this surface, and a substantial step-induced renormalization of the surface harmonic force constants. We use the results to study the harmonic fluctuations around the equilibrium structure and find three new step-derived features in the zone center vibrational spectrum. Comparison of these results with previous theoretical work and weith experimental studies using inelastic He scattering are reported.Comment: 6 Pages RevTex, 7 Figures in Postscrip

Quantification of resting myocardial blood flow velocity in normal humans using real-time contrast echocardiography. A feasibility study

BACKGROUND: Real-time myocardial contrast echocardiography (MCE) is a novel method for assessing myocardial perfusion. The aim of this study was to evaluate the feasibility of a very low-power real-time MCE for quantification of regional resting myocardial blood flow (MBF) velocity in normal human myocardium. METHODS: Twenty study subjects with normal left ventricular (LV) wall motion and normal coronary arteries, underwent low-power real-time MCE based on color-coded pulse inversion Doppler. Standard apical LV views were acquired during constant IV. infusion of SonoVue(®). Following transient microbubble destruction, the contrast replenishment rate (β), reflecting MBF velocity, was derived by plotting signal intensity vs. time and fitting data to the exponential function; y (t) =A (1-e(-β(t-t0))) + C. RESULTS: Quantification was feasible in 82%, 49% and 63% of four-chamber, two-chamber and apical long-axis view segments, respectively. The LAD (left anterior descending artery) and RCA (right coronary artery) territories could potentially be evaluated in most, but contrast detection in the LCx (left circumflex artery) bed was poor. Depending on localisation and which frames to be analysed, mean values of [Image: see text] were 0.21–0.69 s(-1), with higher values in medial than lateral, and in basal compared to apical regions of scan plane (p = 0.03 and p < 0.01). Higher β-values were obtained from end-diastole than end-systole (p < 0.001), values from all-frames analysis lying between. CONCLUSION: Low-power real-time MCE did have the potential to give contrast enhancement for quantification of resting regional MBF velocity. However, the technique is difficult and subjected to several limitations. Significant variability in β suggests that this parameter is best suited for with-in patient changes, comparing values of stress studies to baseline

SDSS J143030.22-001115.1: A misclassified narrow-line Seyfert 1 galaxy with flat X-ray spectrum

We used multi-component profiles to model H$\beta$ and [O III]$\lambda \lambda$4959,5007 lines for SDSS J143030.22-001115.1, a narrow-line Seyfert 1 galaxy (NLS1) in a sample of 150 NLS1s candidates selected from the Sloan Digital Sky Survey (SDSS) Early Data Release (EDR). After subtracting the H$\beta$ contribution from narrow line regions (NLRs), we found that its full width half maximum (FWHM) of broad H$\beta$ line is nearly 2900 \kms, significantly larger than the customarily adopted criterion of 2000 \kms. With its weak Fe II multiples, we think that SDSS J143030.22-001115.1 can't be classified as a genuine NLS1. When we calculate the virial black hole masses of NLS1s, we should use the H$\beta$ linewidth after subtracting the H$\beta$ contribution from NLRs.Comment: 7 pages, 1 table, accepted by ChJA

Epigenetics as a mechanism driving polygenic clinical drug resistance

Aberrant methylation of CpG islands located at or near gene promoters is associated with inactivation of gene expression during tumour development. It is increasingly recognised that such epimutations may occur at a much higher frequency than gene mutation and therefore have a greater impact on selection of subpopulations of cells during tumour progression or acquisition of resistance to anticancer drugs. Although laboratory-based models of acquired resistance to anticancer agents tend to focus on specific genes or biochemical pathways, such 'one gene : one outcome' models may be an oversimplification of acquired resistance to treatment of cancer patients. Instead, clinical drug resistance may be due to changes in expression of a large number of genes that have a cumulative impact on chemosensitivity. Aberrant CpG island methylation of multiple genes occurring in a nonrandom manner during tumour development and during the acquisition of drug resistance provides a mechanism whereby expression of multiple genes could be affected simultaneously resulting in polygenic clinical drug resistance. If simultaneous epigenetic regulation of multiple genes is indeed a major driving force behind acquired resistance of patients' tumour to anticancer agents, this has important implications for biomarker studies of clinical outcome following chemotherapy and for clinical approaches designed to circumvent or modulate drug resistance

Literature Explorer: effective retrieval of scientific documents through nonparametric thematic topic detection

© 2020 The Authors. Published by Springer. This is an open access article available under a Creative Commons licence. The published version can be accessed at the following link on the publisher’s website: https://doi.org/10.1007/s00371-019-01721-7Scientific researchers are facing a rapidly growing volume of literatures nowadays. While these publications offer rich and valuable information, the scale of the datasets makes it difficult for the researchers to manage and search for desired information efficiently. Literature Explorer is a new interactive visual analytics suite that facilitates the access to desired scientific literatures through mining and interactive visualisation. We propose a novel topic mining method that is able to uncover “thematic topics” from a scientific corpus. These thematic topics have an explicit semantic association to the research themes that are commonly used by human researchers in scientific fields, and hence are human interpretable. They also contribute to effective document retrieval. The visual analytics suite consists of a set of visual components that are closely coupled with the underlying thematic topic detection to support interactive document retrieval. The visual components are adequately integrated under the design rationale and goals. Evaluation results are given in both objective measurements and subjective terms through expert assessments. Comparisons are also made against the outcomes from the traditional topic modelling methods.This research is supported by the European Commission with project Dr Inventor (No 611383), MyHealthAvatar (No 60929), and by the UK Engineering and Physical Sciences Research Council with project MyLifeHub (EP/L023830/1).Published onlin