Hot deformation behaviour and microstructure control in AlCrCuNiFeCo high entropy alloy

An AlCrCuNiFeCo high entropy alloy (HEA), which has simple face centered cubic (FCC) and body centered cubic (BCC) solid solution phases as the microstructural constituents, was processed and its high temperature deformation behaviour was examined as a function of temperature (700-1030 degrees C) and strain rate (10(-3)-10(-1) s(-1)), so as to identify the optimum thermo-mechanical processing (TMP) conditions for hot working of this alloy. For this purpose, power dissipation efficiency and deformation instability maps utilizing that the dynamic materials model pioneered by Prasad and co-workers have been generated and examined. Various deformation mechanisms, which operate in different temperature-strain rate regimes, were identified with the aid of the maps and complementary microstructural analysis of the deformed specimens. Results indicate two distinct deformation domains within the range of experimental conditions examined, with the combination of 1000 degrees C/10(-3) s(-1) and 1030 degrees C/10(-2) s(-1) being the optimum for hot working. Flow instabilities associated with adiabatic shear banding, or localized plastic flow, and or cracking were found for 700-730 degrees C/10(-3)-10(-1) s(-1) and 750-860 degrees C/10(-1.4)-10(-1) s(-1) combinations. A constitutive equation that describes the flow stress of AlCrCuNiFeCo alloy as a function of strain rate and deformation temperature was also determined. (C) 2014 Elsevier Ltd. All rights reserved.

Characterization of Interactions Involving Bromine in 2,2-Dibromo2,3-dihydroinden-1-one via Experimental Charge Density Analysis

Experimental and theoretical charge density analyses on 2,2-dibromo-2,3-dihydroinden-1-one have been carried out to quantify the topological features of a short CBr....O halogen bond with nearly linear geometry (2.922 angstrom, angle CBr....O = 172.7 degrees) and to assess the strength of the interactions using the topological features of the electron density. The electrostatic potential map indicates the presence of the s-hole on bromine, while the interaction energy is comparable to that of a moderate OH....O hydrogen bond. In addition, the energetic contribution of CH.....Br interaction is demonstrated to be on par with that of the CBr....O halogen bond in stabilizing the crystal structure.

Use of a structural alphabet to find compatible folds for amino acid sequences

The structural annotation of proteins with no detectable homologs of known 3D structure identified using sequence-search methods is a major challenge today. We propose an original method that computes the conditional probabilities for the amino-acid sequence of a protein to fit to known protein 3D structures using a structural alphabet, known as Protein Blocks (PBs). PBs constitute a library of 16 local structural prototypes that approximate every part of protein backbone structures. It is used to encode 3D protein structures into 1D PB sequences and to capture sequence to structure relationships. Our method relies on amino acid occurrence matrices, one for each PB, to score global and local threading of query amino acid sequences to protein folds encoded into PB sequences. It does not use any information from residue contacts or sequence-search methods or explicit incorporation of hydrophobic effect. The performance of the method was assessed with independent test datasets derived from SCOP 1.75A. With a Z-score cutoff that achieved 95% specificity (i.e., less than 5% false positives), global and local threading showed sensitivity of 64.1% and 34.2%, respectively. We further tested its performance on 57 difficult CASP10 targets that had no known homologs in PDB: 38 compatible templates were identified by our approach and 66% of these hits yielded correctly predicted structures. This method scales-up well and offers promising perspectives for structural annotations at genomic level. It has been implemented in the form of a web-server that is freely available at http://www.bo-protscience.fr/forsa.

Boundary Tracking using a Hybrid Cyclic Pursuit Scheme

There has been a lot of work in the literature, related to the mapping of boundaries of regions, using multiple agents. Most of these are based on optimization techniques or rely on potential fields to drive the agents towards the boundary and then retain them there while they space out evenly along the perimeter or surface (in two-dimensional and three-dimensional cases, respectively). In this paper an algorithm to track the boundary of a region in space is provided based on the cyclic pursuit scheme. This enables the agents to constantly move along the perimeter in a cluster, thereby tracking a dynamically changing boundary. The trajectories of the agents provide a sketch of the boundary. The use of multiple agents may facilitate minimization of tracking error by providing accurate estimates of points on the boundary, besides providing redundancy. Simulation results are provided to highlight the performance of the proposed scheme.

Adaptive executions of hyperbolic block-structured AMR applications on GPU systems

A block-structured adaptive mesh refinement (AMR) technique has been used to obtain numerical solutions for many scientific applications. Some block-structured AMR approaches have focused on forming patches of non-uniform sizes where the size of a patch can be tuned to the geometry of a region of interest. In this paper, we develop strategies for adaptive execution of block-structured AMR applications on GPUs, for hyperbolic directionally split solvers. While effective hybrid execution strategies exist for applications with uniform patches, our work considers efficient execution of non-uniform patches with different workloads. Our techniques include bin-packing work units to load balance GPU computations, adaptive asynchronism between CPU and GPU executions using a knapsack formulation, and scheduling communications for multi-GPU executions. Our experiments with synthetic and real data, for single-GPU and multi-GPU executions, on Tesla S1070 and Fermi C2070 clusters, show that our strategies result in up to a 3.23 speedup in performance over existing strategies.

The deciding role of texture on ductility in a Ce containing Mg alloy

This is the first successful attempt to produce Mg-Ce alloys of different texture through different processing routes while keeping the grain size and grain size distribution same. Tensile data shows that contribution of texture to ductility enhancement is primary and that of grain refinement is secondary. The texture resulting from multi-axial forging of extruded billets followed by annealing exhibits the highest ductility (similar to 40%) at room temperature. (C) 2015 Elsevier B.V. All rights reserved.

Taming Control Divergence in GPUs through Control Flow Linearization

Branch divergence is a very commonly occurring performance problem in GPGPU in which the execution of diverging branches is serialized to execute only one control flow path at a time. Existing hardware mechanism to reconverge threads using a stack causes duplicate execution of code for unstructured control flow graphs. Also the stack mechanism cannot effectively utilize the available parallelism among diverging branches. Further, the amount of nested divergence allowed is also limited by depth of the branch divergence stack. In this paper we propose a simple and elegant transformation to handle all of the above mentioned problems. The transformation converts an unstructured CFG to a structured CFG without duplicating user code. It incurs only a linear increase in the number of basic blocks and also the number of instructions. Our solution linearizes the CFG using a predicate variable. This mechanism reconverges the divergent threads as early as possible. It also reduces the depth of the reconvergence stack. The available parallelism in nested branches can be effectively extracted by scheduling the basic blocks to reduce the effect of stalls due to memory accesses. It can also increase execution efficiency of nested loops with different trip counts for different threads. We implemented the proposed transformation at PTX level using the Ocelot compiler infrastructure. We evaluated the technique using various benchmarks to show that it can be effective in handling the performance problem due to divergence in unstructured CFGs.

A novel gene THSD7A is associated with obesity

Body mass index (BMI) is a non-invasive measurement of obesity. It is commonly used for assessing adiposity and obesity-related risk prediction. Genetic differences between ethnic groups are important factors, which contribute to the variation in phenotypic effects. India inhabited by the first out-of-Africa human population and the contemporary Indian populations are admixture of two ancestral populations; ancestral north Indians (ANI) and ancestral south Indians (ASI). Although ANI are related to Europeans, ASI are not related to any group outside Indian-subcontinent. Hence, we expect novel genetic loci associated with BMI. In association analysis, we found eight genic SNPs in extreme of distribution (P <= 3.75 x 10(-5)), of which WWOX has already been reported to be associated with obesity-related traits hence excluded from further study. Interestingly, we observed rs1526538, an intronic SNP of THSD7A; a novel gene significantly associated with obesity (P = 2.88 x 10(-5), 8.922 x 10(-6) and 2.504 x 10(-9) in discovery, replication and combined stages, respectively). THSD7A is neural N-glycoprotein, which promotes angiogenesis and it is well known that angiogenesis modulates obesity, adipose metabolism and insulin sensitivity, hence our result find a correlation. This information can be used for drug target, early diagnosis of obesity and treatment.

Anodization of Aluminium using a fast two-step process

Ultra-fast two-step anodization method is developed for obtaining ordered nano-pores on aluminium (Al) foil. First anodization was carried out for 10 min, followed by 3 min of second anodization at high voltage (150 V) compared to previous reports of anodization times of 12 h (40-60 V). The pore dimensions on anodized alumina are 180 nm for pore diameter and 130 nm for inter-pore distance. It was evident that by increasing the anodization voltage to 150 V, the diameter of the pores formed was above 150 nm. The electrolyte and its temperature affect the shape and size of the pore formation. At lower anodization temperature, controlled pore formation was observed. The anodized samples were characterized using the field emission scanning electron microscope (FE-SEM) to determine the pore diameter and inter-pore distance. Using UV-Visible spectroscopy, the reflectance spectra of anodized samples were measured. The alumina (Al2O3) peaks were identified by x-ray diffraction (XRD) technique. The x-ray photo electron spectroscopy (XPS) analysis confirmed the Al 2p peak at 73.1 eV along with the oxygen O 1s at 530.9 eV and carbon traces C 1s at 283.6 eV.