McStas and Mantid integration

McStas and Mantid are two well established software frameworks within the neutron scattering community. McStas has been primarily used for simulating the neutron transport of instruments, while Mantid has been primarily used for data reduction. We report here the status of our work done on the interoperability between the instrument simulation software McStas and the data reduction software Mantid. This provides a demonstration of how to successfully link together two software that otherwise have been developed independently, and in particular here show how this has been achieved for an instrument simulation software and a data reduction software. This paper will also provide examples of some of the expected future enhanced analysis that can be achieved from combining accurate instrument and sample simulations with software for correcting raw data. In the case of this work for raw data collected at large scale neutron facilities.Comment: 17 pages, 12 figures, POSTPRINT with proofs of article submitted to Journal of Neutron Researc

One-Dimensional Theory of the Quantum Hall System

We consider the lowest Landau level on a torus as a function of its circumference $L_1$. When $L_1\to 0$, the ground state at general rational filling fraction is a crystal with a gap--a Tao-Thouless state. For filling fractions $\nu=p/(2pm+1)$, these states are the limits of Laughlin's or Jain's wave functions describing the gapped quantum Hall states when $L_1\to \infty$. For the half-filled Landau level, there is a transition to a Fermi sea of non-interacting neutral dipoles, or rather to a Luttinger liquid modification thereof, at $L_1\sim5$ magnetic lengths. This state is a version of the Rezayi-Read state, and develops continuously into the state that is believed to describe the observed metallic phase as $L_1\to \infty$. Furthermore, the effective Landau level structure that emerges within the lowest Landau level follows from the magnetic symmetries.Comment: 4 pages, 1 figur

Constant net-time headway as key mechanism behind pedestrian flow dynamics

We show that keeping a constant lower limit on the net-time headway is the key mechanism behind the dynamics of pedestrian streams. There is a large variety in flow and speed as functions of density for empirical data of pedestrian streams, obtained from studies in different countries. The net-time headway however, stays approximately constant over all these different data sets. By using this fact, we demonstrate how the underlying dynamics of pedestrian crowds, naturally follows from local interactions. This means that there is no need to come up with an arbitrary fit function (with arbitrary fit parameters) as has traditionally been done. Further, by using not only the average density values, but the variance as well, we show how the recently reported stop-and-go waves [Helbing et al., Physical Review E, 75, 046109] emerge when local density variations take values exceeding a certain maximum global (average) density, which makes pedestrians stop.Comment: 7 pages, 7 figure

X-ray Halos and Large Grains in the Diffuse Interstellar Medium

Recent observations with dust detectors on board the interplanetary spacecraft Ulysses and Galileo have recorded a substantial flux of large interstellar grains with radii between 0.25 and 2.0 mu entering the solar system from the local interstellar cloud. The most commonly used interstellar grain size distribution is characterized by a a^-3.5 power law in grain radii a, and extends to a maximum grain radius of 0.25 mu. The extension of the interstellar grain size distribution to such large radii will have a major effect on the median grain size, and on the amount of mass needed to be tied up in dust for a given visual optical depth. It is therefore important to investigate whether this population of larger dust particles prevails in the general interstellar medium, or if it is merely a local phenomenon. The presence of large interstellar grains can be mainly inferred from their effect on the intensity and radial profiles of scattering halos around X-ray sources. In this paper we examine the grain size distribution that gives rise to the X-ray halo around Nova Cygni 1992. The results of our study confirm the need to extend the interstellar grain size distribution in the direction of this source to and possibly beyond 2.0 mu. The model that gives the best fit to the halo data is characterized by: (1) a grain size distribution that follows an a^-3.5 power law up to 0.50 mu, followed by an a^-4.0 extension from 0.50 mu to 2.0 mu; and (2) silicate and graphite (carbon) dust-to-gas mass ratios of 0.0044 and 0.0022, respectively, consistent with solar abundances constraints. Additional observations of X-ray halos probing other spatial directions are badly needed to test the general validity of this result.Comment: 17 pages, incl. 1 figure, accepted for publ. by ApJ Letter

Ground state phases of the Half-Filled One-Dimensional Extended Hubbard Model

Using quantum Monte Carlo simulations, results of a strong-coupling expansion, and Luttinger liquid theory, we determine quantitatively the ground state phase diagram of the one-dimensional extended Hubbard model with on-site and nearest-neighbor repulsions U and V. We show that spin frustration stabilizes a bond-ordered (dimerized) state for U appr. V/2 up to U/t appr. 9, where t is the nearest-neighbor hopping. The transition from the dimerized state to the staggered charge-density-wave state for large V/U is continuous for U up to appr. 5.5 and first-order for higher U.Comment: 4 pages, 4 figure

Improving Assessment of Drug Safety Through Proteomics: Early Detection and Mechanistic Characterization of the Unforeseen Harmful Effects of Torcetrapib.

BackgroundEarly detection of adverse effects of novel therapies and understanding of their mechanisms could improve the safety and efficiency of drug development. We have retrospectively applied large-scale proteomics to blood samples from ILLUMINATE (Investigation of Lipid Level Management to Understand its Impact in Atherosclerotic Events), a trial of torcetrapib (a cholesterol ester transfer protein inhibitor), that involved 15 067 participants at high cardiovascular risk. ILLUMINATE was terminated at a median of 550 days because of significant absolute increases of 1.2% in cardiovascular events and 0.4% in mortality with torcetrapib. The aims of our analysis were to determine whether a proteomic analysis might reveal biological mechanisms responsible for these harmful effects and whether harmful effects of torcetrapib could have been detected early in the ILLUMINATE trial with proteomics.MethodsA nested case-control analysis of paired plasma samples at baseline and at 3 months was performed in 249 participants assigned to torcetrapib plus atorvastatin and 223 participants assigned to atorvastatin only. Within each treatment arm, cases with events were matched to controls 1:1. Main outcomes were a survey of 1129 proteins for discovery of biological pathways altered by torcetrapib and a 9-protein risk score validated to predict myocardial infarction, stroke, heart failure, or death.ResultsPlasma concentrations of 200 proteins changed significantly with torcetrapib. Their pathway analysis revealed unexpected and widespread changes in immune and inflammatory functions, as well as changes in endocrine systems, including in aldosterone function and glycemic control. At baseline, 9-protein risk scores were similar in the 2 treatment arms and higher in participants with subsequent events. At 3 months, the absolute 9-protein derived risk increased in the torcetrapib plus atorvastatin arm compared with the atorvastatin-only arm by 1.08% (P=0.0004). Thirty-seven proteins changed in the direction of increased risk of 49 proteins previously associated with cardiovascular and mortality risk.ConclusionsHeretofore unknown effects of torcetrapib were revealed in immune and inflammatory functions. A protein-based risk score predicted harm from torcetrapib within just 3 months. A protein-based risk assessment embedded within a large proteomic survey may prove to be useful in the evaluation of therapies to prevent harm to patients.Clinical trial registrationURL: https://www.clinicaltrials.gov. Unique identifier: NCT00134264

Numerical Renormalization Group for Impurity Quantum Phase Transitions: Structure of Critical Fixed Points

The numerical renormalization group method is used to investigate zero temperature phase transitions in quantum impurity systems, in particular in the particle-hole symmetric soft-gap Anderson model. The model displays two stable phases whose fixed points can be built up of non-interacting single-particle states. In contrast, the quantum phase transitions turn out to be described by interacting fixed points, and their excitations cannot be described in terms of free particles. We show that the structure of the many-body spectrum of these critical fixed points can be understood using renormalized perturbation theory close to certain values of the bath exponents which play the role of critical dimensions. Contact is made with perturbative renormalization group calculations for the soft-gap Anderson and Kondo models. A complete description of the quantum critical many-particle spectra is achieved using suitable marginal operators; technically this can be understood as epsilon-expansion for full many-body spectra.Comment: 14 pages, 12 figure

Detecting metal-rich intermediate-age globular clusters in NGC4570 using K-band photometry

“The original publication is available at www.springerlink.com”. Copyright Springer. DOI: 10.1007/s10509-009-0093-8Globular cluster systems (GCSs) of most early-type galaxies feature two peaks in their optical colour distributions. Blue-peak globular clusters (GCs) are believed to be old and metal-poor, whereas the ages, metallicities, and the origin of the red-peak GCs are still being debated. We obtained deep K-band photometry and combined it with Hubble Space Telescope observations in g and z to yield a full spectral energy distribution from the optical to the near-infrared. This now allows us to break the age–metallicity degeneracy. We used our evolutionary synthesis models galev for star clusters to compute a large grid of models with different metallicities and a wide range of ages. Comparing these models to our observations revealed a large population of intermediate-age (1–3 Gyr) and metal-rich (≈solar-metallicity) GCs, that will give us further insights into the formation history of this galaxy.Peer reviewe

Multi-critical point in a diluted bilayer Heisenberg quantum antiferromagnet

The S=1/2 Heisenberg bilayer antiferromagnet with randomly removed inter-layer dimers is studied using quantum Monte Carlo simulations. A zero-temperature multi-critical point (p*,g*) at the classical percolation density p=p* and inter-layer coupling g* approximately 0.16 is demonstrated. The quantum critical exponents of the percolating cluster are determined using finite-size scaling. It is argued that the associated finite-temperature quantum critical regime extends to zero inter-layer coupling and could be relevant for antiferromagnetic cuprates doped with non-magnetic impurities.Comment: 4 pages, 6 figures. v2: only minor changes; accepted for publication in Phys. Rev. Let