Atomic-scale study of low-temperature equilibria in iron-rich Al-C-Fe

The capability of the thermodynamic approach based on the independent point defect approximation to describe low-temperature phase equilibria is investigated and applied to the Al-C-Fe system. The method gives a reasonable description of the multicomponent and multisublattice Fe-rich corner and evidences numerous peculiarities concerning the ordered phases as well as the density-functional-theory (DFT) energy models. The study of Fe3Al(-C), revealing strong defect-induced instabilities, rules out the LDA, SLDA and GGA schemes and leaves (spin-polarized) SGGA as the only valid one. C stabilizes L12 Fe3Al with respect to D03, which justifies the fcc-type structure of the kappa Fe3AlC compound. The present work also helps in justifying the experimentally observed depletion of C in the kappa phase. Finally, a correct description of both Fe3C and kappa requires inclusion of interstitial carbon at low temperature, emphasizing the unexpected importance of interstitial defects in ordered phases

An Improved Parallel Multiple-point Algorithm Using a List Approach

Among the techniques used to simulate categorical variables, multiple-point statistics is becoming very popular because it allows the user to provide an explicit conceptual model via a training image. In classic implementations, the multiple-point statistics are inferred from the training image by storing all the observed patterns of a certain size in a tree structure. This type of algorithm has the advantage of being fast to apply, but it presents some critical limitations. In particular, a tree is extremely RAM demanding. For three-dimensional problems with numerous facies, large templates cannot be used. Complex structures are then difficult to simulate. In this paper, we propose to replace the tree by a list. This structure requires much less RAM. It has three main advantages. First, it allows for the use of larger templates. Second, the list structure being parsimonious, it can be extended to include additional information. Here, we show how this can be used to develop a new approach for dealing with non-stationary training images. Finally, an interesting aspect of the list is that it allows one to parallelize the part of the algorithm in which the conditional probability density function is computed. This is especially important for large problems that can be solved on clusters of PCs with distributed memory or on multicore machines with shared memor

A Methodology for Quality Assessment in Collaborative Score Libraries

International audienceWe examine quality issues raised by the development of XML-based Digital Score Libraries. Based on the authors' practical experience, the paper exposes the quality shortcomings inherent to the complexity of music encoding, and thelack of support from state-of-the-art formats. We also identify the various facets of the ``quality'' concept with respect to usages and motivations. We finally propose a general methodology to introduce quality management as a first-level concern in the management of score collections, and an initial taxonomy of quality problems based on real use cases

Ab Initio Calculations of Phase Stabilities in the Fe-Al-C System and CALPHAD-Type Assessment of the Iron-Rich Corner

The goal of this article is to improve the description of the Fe-Al-C phase diagram through the density-functional theory (DFT) calculation of the Fe3AlC compound. Several binary stoichiometric compounds in the iron-rich part of the ternary Fe-Al-C system and the ternary stoichiometric carbide Fe3AlC are studied ab initio. The results in terms of lattice parameter, bulk modulus, magnetization, and enthalpy of formation are compared with the calculated values available in the literature. Via a fitted entropy of formation of the ternary carbide, the Gibbs energy of formation of this compound is evaluated as a function of temperature. A CALPHAD-type procedure is then used to calculate ternary Gibbs isotherms at 800 °C, 1000 °C, and 1200 °C. The isotherms are compared with the experimental data of the literature

Fracture behaviour of a Fe–22Mn–0.6C–0.2V austenitic TWIP steel

International audienceThe mechanical behaviour of a 22Mn-0.6C-0.2V austenitic TWIP steel has been extensively characterised for a variety of strain ratios (from shear to biaxial stretching) using smooth and notched specimens. A constitutive model involving a non-isotropic yield function together with isotropic and/or kinematic hardening satisfactorily represented the experimental database. It was used to estimate local stress and strain fields and to derive a fracture criterion based on the equivalent stress and Lode angle that were expressed to be consistent with the constitutive equations describing the plastic flow behaviour. A weak dependence on hydrostatic stress further improves prediction of fracture initiation, with an average standard error of less than 5% over ten different mechanical tests

Fracture of Zircaloy-4 cladding tubes with or without hydride blisters in uniaxial to plane strain conditions with standard and optimized expansion due to compression tests

International audienceTwo optimizations of the Expansion Due to Compression (EDC) test, which induces a near uniaxial loading, were proposed and developed to reach higher biaxiality ratios (ratio between mechanical quantities in axial and in circumferential direction). The first optimization, named HB-EDC for High-Biaxiality EDC, allowed to reach transverse plane strain conditions. The second optimization, named VHB-EDC for Very High Biaxiality EDC, was designed to reach higher loading biaxiality ratios. These optimized EDC tests were performed at 25 °C, 350 °C and 480 °C on unirradiated hydrided Cold Worked Stress Relieved (CWSR) Zircaloy-4 samples. First, samples unhydrided or uniformly hydrided up to 1130 wppm were tested. Second, samples hydrided at 310 wppm with a hydride blister were tested. A large ductility reduction is induced by the increase in biaxiality level in the absence of a hydride blister or with small blisters (View the MathML source<50μm deep). The fracture strain decreases quickly with the blister depth at 25 °C, but more progressively at higher temperature. An equation that quantifies the fracture strain reduction with the blister depth is proposed. Eventually, one of the tests developed in the present study, the HB-EDC test, was proven to be a good compromise between the test complexity and the stress state reached. It is a good candidate to characterize the mechanical behaviour of irradiated cladding

Voltage-gated sodium channels potentiate the invasive capacities of human non-small-cell lung cancer cell lines.

Ionic channel activity is involved in fundamental cellular behaviour and participates in cancerous features such as proliferation, migration and invasion which in turn contribute to the metastatic process. In this study, we investigated the expression and role of voltage-gated sodium channels in non-small-cell lung cancer cell lines. Functional voltage-gated sodium channels expression was investigated in normal and non-small-cell lung cancer cell lines. The measurement, in patch-clamp conditions, of tetrodotoxin-inhibitable sodium currents indicated that the strongly metastatic cancerous cell lines H23, H460 and Calu-1 possess functional sodium channels while normal and weakly metastatic cell lines do not. While all the cell lines expressed mRNA for numerous sodium channel isoforms, only H23, H460 and Calu-1 cells had a 250 kDa protein corresponding to the functional channel. The other cell lines also had another protein of 230 kDa which is not addressed to the membrane and might act as a dominant negative isoform to prevent channel activation. At the membrane potential of these cells, channels are partially open. This leads to a continuous entry of sodium, disrupting sodium homeostasis and down-stream signaling pathways. Inhibition of the channels by tetrodotoxin was responsible for a 40-50% reduction of in vitro invasion. These experiments suggest that the functional expression of voltage-gated sodium channels might be an integral component of the metastatic process in non-small-cell lung cancer cells probably through its involvement in the regulation of intracellular sodium homeostasis. These channels could serve both as novel markers of the metastatic phenotype and as potential new therapeutic targets

Dietary long-chain omega-3 fatty acids of marine origin: a comparison of their protective effects on coronary heart disease and breast cancers.

The relationship between high fish consumption and low mortality following coronary heart disease (CHD) and low incidence of breast cancer was first mentioned 3 decades ago. The fishes of interest are rich in omega-3 long-chain polyunsaturated fatty acids (omega-3 LC-PUFAs), especially eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA), which could be the active nutrients. The current consensus about cardioprotection is that omega-3 LC-PUFAs would mainly exert antiarrhythmic effects. One of the proposed mechanisms is that circulating non-esterified LC-PUFAs partition into cardiac cells membrane phospholipids and exert a direct effect on ionic channels and/or modify intracellular calcium homeostasis. In another hypothesis, changes in the metabolism of phosphoinositides would be involved and lead to the differential activation of PKC isoforms. As compared to the mechanisms proposed for the cardioprotective effects of omega-3 LC-PUFAs, less is known about the molecular mechanisms involved in breast cancers prevention. Some proposed mechanisms such as the modulation of phosphoinositides metabolism and/or modulation of intracellular calcium homeostasis, are common to both pathologies. Other hypotheses involve the alteration of the cellular redox status induced by highly peroxidizable polyunsaturated fatty acids (FA), or the modulation of gene expression, both phenomena being tightly linked to apoptosis. In this review, we report and compare some proposed mechanisms for the involvement of omega-3 LC-PUFAs in both cardiac and breast cancer protection. Deliberately, we chose to discuss only the mechanisms, which are less described in other reviews such as ionic channels in cancer, calcium homeostasis, PKC activation or matrix metalloproteinases in both cancer and cardiac models. The leitmotiv along this review is that cardio- and cancero-protective effects use common pathways. Comparison of the cellular effects might therefore help to highlight the "protective" pathways

Spectrally-resolved measurement of concentrated light distributions for Fresnel lens concentrators

A test method that measures spectrally resolved irradiance distribution for a concentrator photovoltaic (CPV) optical system is presented. In conjunction with electrical I-V curves, it is a means to visualize and characterize the effects of chromatic aberration and nonuniform flux profiles under controllable testing conditions. The indoor characterization test bench, METHOD (Measurement of Electrical, Thermal and Optical Devices), decouples the temperatures of the primary optical element (POE) and the cell allowing their respective effects on optical and electrical performance to be analysed. In varying the temperature of the POE, the effects on electrical efficiency, focal distance, spectral sensitivity, acceptance angle and multi-junction current matching profiles can be quantified. This work presents the calibration procedures to accurately image the spectral irradiance distribution of a CPV system and a study of system behavior over lens temperature