Spin resonance in the superconducting state of Li1−x_{1-x}Fex_{x}ODFe1−y_{1-y}Se observed by neutron spectroscopy

We have performed inelastic neutron scattering measurements on a powder sample of the superconductor lithium iron selenide hydroxide Li$_{1-x}$Fe$_{x}$ODFe$_{1-y}$Se ($x \simeq 0.16, y \simeq 0.02$, $T_{\rm c} = 41$\,K). The spectrum shows an enhanced intensity below $T_{\rm c}$ over an energy range $0.64\times2\Delta < E < 2\Delta$, where $\Delta$ is the superconducting gap, with maxima at the wave vectors $Q_1 \simeq 1.46$\,\AA$^{-1}$ and $Q_2 \simeq 1.97$\,\AA$^{-1}$. The behavior of this feature is consistent with the spin resonance mode found in other unconventional superconductors, and strongly resembles the spin resonance observed in the spectrum of the molecular-intercalated iron selenide, Li$_{0.6}$(ND$_{2}$)$_{0.2}$(ND$_{3}$)$_{0.8}$Fe$_{2}$Se$_{2}$. The signal can be described with a characteristic two-dimensional wave vector $(\pi, 0.67\pi)$ in the Brillouin zone of the iron square lattice, consistent with the nesting vector between electron Fermi sheets

A scanning tunnelling microscopy study of C and N adsorption phases on the vicinal Ni(100) surfaces Ni(810) and Ni(911)

The influence of N and C chemisorption on the morphology and local structure of nominal Ni(810) and Ni(911) surfaces, both vicinal to (100) but with [001] and 011¯ step directions, respectively, has been investigated using scanning tunnelling microscopy (STM) and low energy electron diffraction. Ni(911) undergoes substantial step bunching in the presence of both adsorbates, with the (911)/N surface showing (411) facets, whereas for Ni(810), multiple steps 2–4 layers high are more typical. STM atomic-scale images show the (2×2)pg ‘clock’ reconstruction on the (100) terraces of the (810) surfaces with both C and N, although a second c(2×2) structure, most readily reconciled with a ‘rumpling’ reconstruction, is also seen on Ni(810)/N. On Ni(911), the clock reconstruction is not seen on the (100) terraces with either adsorbate, and these images are typified by protrusions on a (1×1) mesh. This absence of clock reconstruction is attributed to the different constraints imposed on the lateral movements of the surface Ni atoms adjacent to the up-step edge of the terraces with a [011] step direction

Tension and stiffness of the hard sphere crystal-fluid interface

A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0.66 kT/\sigma^2 with a small anisotropy of about 0.025 kT and stiffnesses with e.g. 0.53 kT/\sigma^2 for the (001) orientation and 1.03 kT/\sigma^2 for the (111) orientation. Here kT is denoting the thermal energy and \sigma the hard sphere diameter. We compare our results with existing experimental findings

Optimal Principal Component Analysis in Distributed and Streaming Models

We study the Principal Component Analysis (PCA) problem in the distributed and streaming models of computation. Given a matrix $A \in R^{m \times n},$ a rank parameter $k < rank(A)$, and an accuracy parameter $0 < \epsilon < 1$, we want to output an $m \times k$ orthonormal matrix $U$ for which $$|| A - U U^T A ||_F^2 \le \left(1 + \epsilon \right) \cdot || A - A_k||_F^2,$$ where $A_k \in R^{m \times n}$ is the best rank-$k$ approximation to $A$. This paper provides improved algorithms for distributed PCA and streaming PCA.Comment: STOC2016 full versio

Why Compact Tori For Fusion?

A compact torus (CT) has a toroidal magnetic and plasma geometry, but is contained within a simply-connected vacuum vessel such as a cylinder. Spheromaks and field-reversed configurations fall into this category. Compact tori are translatable and have a high engineering beta. The primary benefit of CTs for fusion is the absence of toroidal field and Ohmic Heating coils and the many problems brought on by them. Studying fusion-relevant plasma in simply-connected geometries affords the world fusion program both physics and technology opportunities not found in other configurations. This paper outlines the technology and physics opportunities of compact tori, and presents a cost model based on geometry for comparison with less compact configurations

Identifying the Azobenzene/Aniline reaction intermediate on TiO2-(110) : a DFT Study

Density functional theory (DFT) calculations, both with and without dispersion corrections, have been performed to investigate the nature of the common surface reaction intermediate that has been shown to exist on TiO2(110) as a result of exposure to either azobenzene (C6H5N═NC6H5) or aniline (C6H5NH2). Our results confirm the results of a previous DFT study that dissociation of azobenzene into two adsorbed phenyl imide (C6H5N) fragments, as was originally proposed, is not energetically favorable. We also find that deprotonation of aniline to produce this surface species is even more strongly energetically disfavored. A range of alternative surface species has been considered, and while dissociation of azobenzene to form surface C6H4NH species is energetically favored, the same surface species cannot form from adsorbed aniline. On the contrary, adsorbed aniline is much the most stable surface species. Comparisons with experimental determinations of the local adsorption site, the Ti–N bond length, the molecular orientation, and the associated C 1s and N 1s photoelectron core level shifts are all consistent with the DFT results for adsorbed aniline and are inconsistent with other adsorbed species considered. Possible mechanisms for the hydrogenation of azobenzene required to produce this surface species are discussed

CLIWOC multilingual meteorological dictionary

This dictionary is the first attempt to express the wealth of archaic logbook wind force terms in a form that is comprehensible to the modern-day reader. Oliver and Kington (1970) and Lamb (1982) have drawn attention to the importance of logbooks in climatic studies, and Lamb (1991) offered a conversion scale for early eighteenth century English wind force terms, but no studies have thus far pursued the matter to any greater depth. This text attempts to make good this deficiency, and is derived from the research undertaken by the CLIWOC project1 in which British, Dutch, French and Spanish naval and merchant logbooks from the period 1750 to 1850 were used to derive a global database of climatic information. At an early stage in the project it was apparent that many of the logbook weather terms, whilst conforming to a conventional vocabulary, possessed meanings that were unclear to twenty-first century readers or had changed over time. This was particularly the case for the important element of wind force; but no special plea is entered for the evolution in nautical vocabulary, which often reflected more wide-ranging changes in the respective native languages.The key objective was to translate the archaic vocabulary of the late eighteenth and early nineteenth century mariner into expressions directly comparable with the Beaufort Scale (see Appendix I). Only then could the projects scientific programme be embarked upon. This dictionary is the result of the largest undertaking into logbook studies that has yet been carried out. Several thousand logbooks from British, Dutch, French and Spanish archives were examined, and the exercise offered a unique opportunity to explore the vocabulary of the one hundred year period beginning in 1750. The logbooks from which the raw data have been abstracted range widely across the North and South Atlantic and the Indian Oceans. Only the Pacific, largely in consequence of the paucity of regular naval activity in that area, is not well represented. The range of climates encountered in this otherwise wide geographic domain gives ample opportunity for the full range of the mariners nautical weather vocabulary to be assessed, from the calms of the Equatorial regions, through the gales of the mid-latitude systems to the fearsome storms of the tropical latitudes. The Trade Winds belts, the Doldrums, the unsettled mid-latitudes, even the icy wastes of the high latitudes, are all embraced in this study. It is not here intended to pass any judgements on the climatological record of the logbooks, and this text seeks only to provide a means of understanding archaic wind force terms and, other than to indicate those items that were not commonly used, no information is given on the frequency with which different terms appeared in the logbooks. Attention is, furthermore, confined to Dutch, English, French and Spanish because these once great imperial powers were the only nations able to support wide-ranging ocean-going fleets with their attendant collections of logbooks and documents over this long period of time. The work is offered to the wider academic community in the hope that they will prove to be of as much value as it has been to the CLIWOC team

A Multi-scale Approach for Simulations of Kelvin Probe Force Microscopy with Atomic Resolution

The distance dependence and atomic-scale contrast observed in nominal contact potential difference (CPD) signals recorded by KPFM on surfaces of insulating and semiconducting samples, have stimulated theoretical attempts to explain such effects. We attack this problem in two steps. First, the electrostatics of the macroscopic tip-cantilever-sample system is treated by a finite-difference method on an adjustable nonuniform mesh. Then the resulting electric field under the tip apex is inserted into a series of atomistic wavelet-based density functional theory (DFT) calculations. Results are shown for a realistic neutral but reactive silicon nano-scale tip interacting with a NaCl(001) sample. Bias-dependent forces and resulting atomic displacements are computed to within an unprecedented accuracy. Theoretical expressions for amplitude modulation (AM) and frequency modulation (FM) KPFM signals and for the corresponding local contact potential differences (LCPD) are obtained by combining the macroscopic and atomistic contributions to the electrostatic force component generated at the voltage modulation frequency, and evaluated for several tip oscillation amplitudes A up to 10 nm. Being essentially constant over a few Volts, the slope of atomistic force versus bias is the basic quantity which determines variations of the atomic-scale LCPD contrast. Already above A = 0.1 nm, the LCPD contrasts in both modes exhibit almost the same spatial dependence as the slope. In the AM mode, this contrast is approximately proportional to $A^{-1/2}$, but remains much weaker than the contrast in the FM mode, which drops somewhat faster as A is increased. These trends are a consequence of the macroscopic contributions to the KPFM signal, which are stronger in the AM-mode and especially important if the sample is an insulator even at sub-nanometer separations where atomic-scale contrast appears.Comment: 19 pages, 13 figure