Enhanced iron magnetic moment in the ThFe11C2 intermetallic compound

International audienceDetailed theoretical investigations on the electronic and magnetic properties of the ThFe11C2 compound have been performed using both the linear muffin-tin orbital and Korringa-Kohn-Rostocker methods of band structure calculation. The structure of the ThFe11C2 compound has three inequivalent iron sites with different local environment. A strongly enhanced magnetic moment is observed on certain Fe positions, coexisting with much lower magnetic moments on other iron positions of the lattice. Band structure calculations indeed show that the Fe magnetic moments depend strongly on the local environment. The average Fe magnetic moment obtained from these calculations is in good agreement with the experimental average Fe moment obtained from magnetization measurements. The orbital contribution to the magnetic moment is found to be especially large on the Fe 4b position. Comparing calculated hyperfine fields with experimental results, it is found that the calculated and experimental hyperfine fields are correlated. However, similarly to the results reported before for elemental Fe, the magnitude of all calculated Fe hyperfine fields is about 25% smaller. The agreement with the Mössbauer measurements is improved by scaling the core polarization contribution and by estimating the orbital valence d-electrons contribution to the magnetic hyperfine fields using the local spin density approximation + dynamical mean field theory calculated orbital moments

Particle methods for a virtual patient

The particle systems approach is a well known technique in computer graphics for modelling fuzzy objects such as fire and clouds. The algorithm has also been applied to different biomedical applications and this paper presents two such methods: a charged particle method for soft tissue deformation with integrated haptics; and a blood flow visualization technique based on boids. The goal is real time performance with high fidelity results

Experimental demonstration of Aharonov-Casher interference in a Josephson junction circuit

A neutral quantum particle with magnetic moment encircling a static electric charge acquires a quantum mechanical phase (Aharonov-Casher effect). In superconducting electronics the neutral particle becomes a fluxon that moves around superconducting islands connected by Josephson junctions. The full understanding of this effect in systems of many junctions is crucial for the design of novel quantum circuits. Here we present measurements and quantitative analysis of fluxon interference patterns in a six Josephson junction chain. In this multi-junction circuit the fluxon can encircle any combination of charges on five superconducting islands, resulting in a complex pattern. We compare the experimental results with predictions of a simplified model that treats fluxons as independent excitations and with the results of the full diagonalization of the quantum problem. Our results demonstrate the accuracy of the fluxon interference description and the quantum coherence of these arrays

Computational requirements of the virtual patient

Medical visualization in a hospital can be used to aid training, diagnosis, and pre- and intra-operative planning. In such an application, a virtual representation of a patient is needed that is interactive, can be viewed in three dimensions (3D), and simulates physiological processes that change over time. This paper highlights some of the computational challenges of implementing a real time simulation of a virtual patient, when accuracy can be traded-off against speed. Illustrations are provided using projects from our research based on Grid-based visualization, through to use of the Graphics Processing Unit (GPU)

A mixed finite element discretization scheme for a concrete carbonation model with concentration-dependent porosity

We discuss a prototypical reaction-diffusion-flow problem in saturated/unsaturated porous media. The special features of our problem are: the reaction produces water and therefore the flow and transport are coupled in both directions and moreover, the reaction may alter the microstructure. This means we have a variable porosity in our model. For the spatial discretization we propose a mass conservative scheme based on the mixed finite element method (MFEM). The scheme is semi-implicit in time. Error estimates are obtained for some particular cases. We apply our finite element methodology for the case of concrete carbonation – one of the most important physico-chemical processes affecting the durability of concrete

Tsallis entropy approach to radiotherapy treatments

The biological effect of one single radiation dose on a living tissue has been described by several radiobiological models. However, the fractionated radiotherapy requires to account for a new magnitude: time. In this paper we explore the biological consequences posed by the mathematical prolongation of a model to fractionated treatment. Nonextensive composition rules are introduced to obtain the survival fraction and equivalent physical dose in terms of a time dependent factor describing the tissue trend towards recovering its radioresistance (a kind of repair coefficient). Interesting (known and new) behaviors are described regarding the effectiveness of the treatment which is shown to be fundamentally bound to this factor. The continuous limit, applicable to brachytherapy, is also analyzed in the framework of nonextensive calculus. Also here a coefficient arises that rules the time behavior. All the results are discussed in terms of the clinical evidence and their major implications are highlighted.Comment: 6 figures, accepted for publication to Physica

Current functionality and potential improvements of non-alcoholic fermented cereal beverages

Fermentation continues to be the most common biotechnological tool to be used in cereal-based beverages, as it is relatively simple and economical. Fermented beverages hold a long tradition and have become known for their sensory and health-promoting attributes. Considering the attractive sensory traits and due to increased consumer awareness of the importance of healthy nutrition, the market for functional, natural, and non-alcoholic beverages is steadily increasing all over the world. This paper outlines the current achievements and technological development employed to enhance the qualitative and nutritional status of non-alcoholic fermented cereal beverages (NFCBs). Following an in-depth review of various scientific publications, current production methods are discussed as having the potential to enhance the functional properties of NFCBs and their safety, as a promising approach to help consumers in their efforts to improve their nutrition and health status. Moreover, key aspects concerning production techniques, fermentation methods, and the nutritional value of NFCBs are highlighted, together with their potential health benefits and current consumption trends. Further research efforts are required in the segment of traditional fermented cereal beverages to identify new potentially probiotic microorganisms and starter cultures, novel ingredients as fermentation substrates, and to finally elucidate the contributions of microorganisms and enzymes in the fermentation process

Individual-specific changes in the human gut microbiota after challenge with enterotoxigenic Escherichia coli and subsequent ciprofloxacin treatment

Acknowledgements The authors wish to thank Mark Stares, Richard Rance, and other members of the Wellcome Trust Sanger Institute’s 454 sequencing team for generating the 16S rRNA gene data. Lili Fox Vélez provided editorial support. Funding IA, JNP, and MP were partly supported by the NIH, grants R01-AI-100947 to MP, and R21-GM-107683 to Matthias Chung, subcontract to MP. JNP was partly supported by an NSF graduate fellowship number DGE750616. IA, JNP, BRL, OCS and MP were supported in part by the Bill and Melinda Gates Foundation, award number 42917 to OCS. JP and AWW received core funding support from The Wellcome Trust (grant number 098051). AWW, and the Rowett Institute of Nutrition and Health, University of Aberdeen, receive core funding support from the Scottish Government Rural and Environmental Science and Analysis Service (RESAS).Peer reviewedPublisher PD