Joint Experimental and Computational O-17 and H-1 Solid State NMR Study of Ba2In2O4(OH)(2) Structure and Dynamics

This is the final version of the article. It first appeared from ACS Publications via http://dx.doi.org/10.1021/acs.chemmater.5b00328A structural characterization of the hydrated form of the brownmillerite-type phase Ba2In2O5, Ba2In2O4(OH)2, is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H2O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. ( Solid State Ionics 2004, 170, 25?32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba2In2O4(OH)2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1H and 17O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 ?C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1H?17O double resonance experiments.This work was supported in part by Grants DMR050612 and CHE0714183 from the National Science Foundation and Grant DESC0001284 from the Department of Energy (supporting Y.- L.L. and D.M.), by an Advanced Fellowship from the EU-ERC (C.P.G.), and by the EPSRC (D.S.M.). F.B. thanks the EU Marie Curie actions FP7 for an International Incoming fellowship (Grant No. 275212) and Clare Hall, University of Cambridge, for a Research Fellowship

Spiral spin-liquid and the emergence of a vortex-like state in MnSc2_2S4_4

Spirals and helices are common motifs of long-range order in magnetic solids, and they may also be organized into more complex emergent structures such as magnetic skyrmions and vortices. A new type of spiral state, the spiral spin-liquid, in which spins fluctuate collectively as spirals, has recently been predicted to exist. Here, using neutron scattering techniques, we experimentally prove the existence of a spiral spin-liquid in MnSc$_2$S$_4$ by directly observing the 'spiral surface' - a continuous surface of spiral propagation vectors in reciprocal space. We elucidate the multi-step ordering behavior of the spiral spin-liquid, and discover a vortex-like triple-q phase on application of a magnetic field. Our results prove the effectiveness of the $J_1$-$J_2$ Hamiltonian on the diamond lattice as a model for the spiral spin-liquid state in MnSc$_2$S$_4$, and also demonstrate a new way to realize a magnetic vortex lattice.Comment: 10 pages, 11 figure

The Relation Between Halo Shape, Velocity Dispersion and Formation Time

We use dark matter haloes identified in the MareNostrum Universe and galaxy groups identified in the Sloan Data Release 7 galaxy catalogue, to study the relation between halo shape and halo dynamics, parametrizing out the mass of the systems. A strong shape-dynamics, independent of mass, correlation is present in the simulation data, which we find it to be due to different halo formation times. Early formation time haloes are, at the present epoch, more spherical and have higher velocity dispersions than late forming-time haloes. The halo shape-dynamics correlation, albeit weaker, survives the projection in 2D (ie., among projected shape and 1-D velocity dispersion). A similar shape-dynamics correlation, independent of mass, is also found in the SDSS DR7 groups of galaxies and in order to investigate its cause we have tested and used, as a proxy of the group formation time, a concentration parameter. We have found, as in the case of the simulated haloes, that less concentrated groups, corresponding to late formation times, have lower velocity dispersions and higher elongations than groups with higher values of concentration, corresponding to early formation times.Comment: MNRAS in press (10 pages, 10 figures

Coalescing Binary Neutron Stars

Coalescing compact binaries with neutron star or black hole components provide the most promising sources of gravitational radiation for detection by the LIGO/VIRGO/GEO/TAMA laser interferometers now under construction. This fact has motivated several different theoretical studies of the inspiral and hydrodynamic merging of compact binaries. Analytic analyses of the inspiral waveforms have been performed in the Post-Newtonian approximation. Analytic and numerical treatments of the coalescence waveforms from binary neutron stars have been performed using Newtonian hydrodynamics and the quadrupole radiation approximation. Numerical simulations of coalescing black hole and neutron star binaries are also underway in full general relativity. Recent results from each of these approaches will be described and their virtues and limitations summarized.Comment: Invited Topical Review paper to appear in Classical and Quantum Gravity, 35 pages, including 5 figure

Post-Newtonian SPH calculations of binary neutron star coalescence. II. Binary mass ratio, equation of state, and spin dependence

Using our new Post-Newtonian SPH (smoothed particle hydrodynamics) code, we study the final coalescence and merging of neutron star (NS) binaries. We vary the stiffness of the equation of state (EOS) as well as the initial binary mass ratio and stellar spins. Results are compared to those of Newtonian calculations, with and without the inclusion of the gravitational radiation reaction. We find a much steeper decrease in the gravity wave peak strain and luminosity with decreasing mass ratio than would be predicted by simple point-mass formulae. For NS with softer EOS (which we model as simple $\Gamma=2$ polytropes) we find a stronger gravity wave emission, with a different morphology than for stiffer EOS (modeled as $\Gamma=3$ polytropes as in our previous work). We also calculate the coalescence of NS binaries with an irrotational initial condition, and find that the gravity wave signal is relatively suppressed compared to the synchronized case, but shows a very significant second peak of emission. Mass shedding is also greatly reduced, and occurs via a different mechanism than in the synchronized case. We discuss the implications of our results for gravity wave astronomy with laser interferometers such as LIGO, and for theoretical models of gamma-ray bursts (GRBs) based on NS mergers.Comment: RevTeX, 38 pages, 24 figures, Minor Corrections, to appear in Phys. Rev.

Field Effect Transistors for Terahertz Detection: Physics and First Imaging Applications

Resonant frequencies of the two-dimensional plasma in FETs increase with the reduction of the channel dimensions and can reach the THz range for sub-micron gate lengths. Nonlinear properties of the electron plasma in the transistor channel can be used for the detection and mixing of THz frequencies. At cryogenic temperatures resonant and gate voltage tunable detection related to plasma waves resonances, is observed. At room temperature, when plasma oscillations are overdamped, the FET can operate as an efficient broadband THz detector. We present the main theoretical and experimental results on THz detection by FETs in the context of their possible application for THz imaging.Comment: 22 pages, 12 figures, review pape

The Dynamical Evolution of Black Hole-Neutron Star Binaries in General Relativity: Simulations of Tidal Disruption

We calculate the first dynamical evolutions of merging black hole-neutron star binaries that construct the combined black hole-neutron star spacetime in a general relativistic framework. We treat the metric in the conformal flatness approximation, and assume that the black hole mass is sufficiently large compared to that of the neutron star so that the black hole remains fixed in space. Using a spheroidal spectral methods solver, we solve the resulting field equations for a neutron star orbiting a Schwarzschild black hole. The matter is evolved using a relativistic, Lagrangian, smoothed particle hydrodynamics (SPH) treatment. We take as our initial data recent quasiequilibrium models for synchronized neutron star polytropes generated as solutions of the conformal thin-sandwich (CTS) decomposition of the Einstein field equations. We are able to construct from these models relaxed SPH configurations whose profiles show good agreement with CTS solutions. Our adiabatic evolution calculations for neutron stars with low compactness show that mass transfer, when it begins while the neutron star orbit is still outside the innermost stable circular orbit, is more unstable than is typically predicted by analytical formalisms. This dynamical mass loss is found to be the driving force in determining the subsequent evolution of the binary orbit and the neutron star, which typically disrupts completely within a few orbital periods. The majority of the mass transferred onto the black hole is accreted promptly; a significant fraction (~30%) of the mass is shed outward as well, some of which will become gravitationally unbound and ejected completely from the system. The remaining portion forms an accretion disk around the black hole, and could provide the energy source for short-duration gamma ray bursts.Comment: 32 pages, 16 figures, 2 tables, RevTeX, accepted by PR

Combined epicardial and endocardial ablation for atrial fibrillation:Best practices and guide to hybrid convergent procedures

The absence of strategies to consistently and effectively address nonparoxysmal atrial fibrillation by nonpharmacological interventions has represented a long-standing treatment gap. A combined epicardial/endocardial ablation strategy, the hybrid Convergent procedure, was developed in response to this clinical need. A subxiphoid incision is used to access the pericardial space facilitating an epicardial ablation directed at isolation of the posterior wall of the left atrium. This is followed by an endocardial ablation to complete isolation of the pulmonary veins and for additional ablation as needed. Experience gained with the hybrid Convergent procedure during the last decade has led to the development and adoption of strategies to optimize the technique and mitigate risks. Additionally, a surgical and electrophysiology "team" approach including comprehensive training is believed critical to successfully develop the hybrid Convergent program. A recently completed randomized clinical trial indicated that this ablation strategy is superior to an endocardial-only approach for patients with persistent atrial fibrillation. In this review, we propose and describe best practice guidelines for hybrid Convergent ablation on the basis of a combination of published data, author consensus, and expert opinion. A summary of clinical outcomes, emerging evidence, and future perspectives is also given

Accuracy of B-natriuretic peptide for the diagnosis of decompensated heart failure in muscular dystrophies patients with chronic respiratory failure

Heart failure and restrictive respiratory insufficiency are complications in muscular dystrophies. We aimed to assess the accuracy of the B-natriuretic peptide (BNP) for the diagnosis of decompensated heart failure in muscular dystrophy. We included patients with muscular dystrophy and chronic respiratory insufficiency admitted in the Intensive Care Unit of the Raymond Poincare hospital (Garches, France) for suspected decompensated heart failure. Thirtyseven patients were included, among them, 23 Duchenne muscular dystrophy (DMD) (62%), 10 myotonic dystrophy type 1(DM1) (27%). Median age was 35 years [27.5; 48.5]. 86.5% of patients were on home mechanical ventilation (HMV). Median left ventricular ejection fraction (LVEF) was 47% [35.0; 59.5]. Median BNP blood level was 104 pg/mL [50; 399]. The BNP level was significantly inversely associated with LVEF (r= –0.37, p 0.03) and positively associated with the LVEDD (left ventricular end diastolic diameter) (r=0.59, P<0.001). The discriminative value of the BNP level for the diagnosis of decompensated heart failure was high with an AUROC=0.94 (P<0.001). The best discriminating BNP threshold was 307 pg/mL (Youden index 0.85). The BNP level measurement may add a supplemental key for the final diagnosis of decompensated heart failure

Formation of Massive Black Holes in Dense Star Clusters. I. Mass Segregation and Core Collapse

We study the early dynamical evolution of young, dense star clusters using Monte Carlo simulations for systems with up to N~10^7 stars. Rapid mass segregation of massive main-sequence stars and the development of the Spitzer instability can drive these systems to core collapse in a small fraction of the initial half-mass relaxation time. If the core collapse time is less than the lifetime of the massive stars, all stars in the collapsing core may then undergo a runaway collision process leading to the formation of a massive black hole. Here we study in detail the first step in this process, up to the occurrence of core collapse. We have performed about 100 simulations for clusters with a wide variety of initial conditions, varying systematically the cluster density profile, stellar IMF, and number of stars. We also considered the effects of initial mass segregation and stellar evolution mass loss. Our results show that, for clusters with a moderate initial central concentration and any realistic IMF, the ratio of core collapse time to initial half-mass relaxation time is typically ~0.1, in agreement with the value previously found by direct N-body simulations for much smaller systems. Models with even higher central concentration initially, or with initial mass segregation (from star formation) have even shorter core-collapse times. Remarkably, we find that, for all realistic initial conditions, the mass of the collapsing core is always close to ~10^-3 of the total cluster mass, very similar to the observed correlation between central black hole mass and total cluster mass in a variety of environments. We discuss the implications of our results for the formation of intermediate-mass black holes in globular clusters and super star clusters, ultraluminous X-ray sources, and seed black holes in proto-galactic nuclei.Comment: 22 pages with emulateapj.sty, 15 figures and 3 tables. Minor modifications, published in Ap