Improving Memory Hierarchy Utilisation for Stencil Computations on Multicore Machines

Although modern supercomputers are composed of multicore machines, one can find scientists that still execute their legacy applications which were developed to monocore cluster where memory hierarchy is dedicated to a sole core. The main objective of this paper is to propose and evaluate an algorithm that identify an efficient blocksize to be applied on MPI stencil computations on multicore machines. Under the light of an extensive experimental analysis, this work shows the benefits of identifying blocksizes that will dividing data on the various cores and suggest a methodology that explore the memory hierarchy available in modern machines

Tailoring TcT_c by symmetry principles: The concept of Superconducting Fitness

We propose a generalization of the concept of superconducting fitness, which allows us to make statements analogous to Anderson's theorems concerning the stability of different superconducting states. This concept can be applied to complex materials with several orbital, layer, sublattice or valley degrees of freedom. The superconducting fitness parameters $F_A(\bf{k})$ and $F_C(\bf{k})$ give a direct measure of the robustness of the weak coupling instability and of the presence of detrimental terms in the Hamiltonian, respectively. These two parameters can be employed as a guide to engineer normal state Hamiltonians in order to favour or suppress superconducting order parameters with different symmetries and topological properties. To illustrate the applicability and power of this concept we study three cases: the non-centrosymmetric heavy fermion $\text{CePt}_3\text{Si}$, the hole doped iron pnictide $\text{KFe}_2\text{As}_2$ and the doped topological insulator $\text{Cu}_x\text{Bi}_2\text{Se}_3$

Vibrational Satellites of C2_2S, C3_3S, and C4_4S: Microwave Spectral Taxonomy as a Stepping Stone to the Millimeter-Wave Band

We present a microwave spectral taxonomy study of several hydrocarbon/CS$_2$ discharge mixtures in which more than 60 distinct chemical species, their more abundant isotopic species, and/or their vibrationally excited states were detected using chirped-pulse and cavity Fourier-transform microwave spectroscopies. Taken together, in excess of 85 unique variants were detected, including several new isotopic species and more than 25 new vibrationally excited states of C$_2$S, C$_3$S, and C$_4$S, which have been assigned on the basis of published vibration-rotation interaction constants for C$_3$S, or newly calculated ones for C$_2$S and C$_4$S. On the basis of these precise, low-frequency measurements, several vibrationally exited states of C$_2$S and C$_3$S were subsequently identified in archival millimeter-wave data in the 253--280 GHz frequency range, ultimately providing highly accurate catalogs for astronomical searches. As part of this work, formation pathways of the two smaller carbon-sulfur chains were investigated using $^{13}$C isotopic spectroscopy, as was their vibrational excitation. The present study illustrates the utility of microwave spectral taxonomy as a tool for complex mixture analysis, and as a powerful and convenient `stepping stone' to higher frequency measurements in the millimeter and submillimeter bands.Comment: Accepted in PCC

Toward a test of angular momentum coherence in a twin-atom interferometer

We present a scheme well-suited to investigate quantitatively the angular momentum coherence of molecular fragments. Assuming that the dissociated molecule has a null total angular momentum, we investigate the propagation of the corresponding atomic fragments in the apparatus. We show that the envisioned interferometer enables one to distinguish unambiguously a spin-coherent from a spin-incoherent dissociation, as well as to estimate the purity of the angular momentum density matrix associated with the fragments. This setup, which may be seen as an atomic analogue of a twin-photon interferometer, can be used to investigate the suitability of molecule dissociation processes -- such as the metastable hydrogen atoms H($2^2 S$)-H($2^2 S$) dissociation - for coherent twin-atom optics.Comment: 6 pages, 3 Figures. Final version accepted for publication in Europhysics Letter

Selection On Different Genes With Equivalent Functions: The Convergence Story Told By Hox Genes Along The Evolution Of Aquatic Mammalian Lineages

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Convergent evolution has been a challenging topic for decades, being cetaceans, pinnipeds and sirenians textbook examples of three independent origins of equivalent phenotypes. These mammalian lineages acquired similar anatomical features correlated to an aquatic life, and remarkably differ from their terrestrial counterparts. Whether their molecular evolutionary history also involved similar genetic mechanisms underlying such morphological convergence nevertheless remained unknown. To test for the existence of convergent molecular signatures, we studied the molecular evolution of Hox genes in these three aquatic mammalian lineages, comparing their patterns to terrestrial mammals. Hox genes are transcription factors that play a pivotal role in specifying embryonic regional identity of nearly any bilateral animal, and are recognized major agents for diversification of body plans. Results: We detected few signatures of positive selection on Hox genes across the three aquatic mammalian lineages and verified that purifying selection prevails in these sequences, as expected for pleiotropic genes. Genes found as being positively selected differ across the aquatic mammalian lineages, but we identified a substantial overlap of their developmental functions. Such pattern likely resides on the duplication history of Hox genes, which probably provided different possible evolutionary routes for achieving the same phenotypic solution. Conclusions: Our results indicate that convergence occurred at a functional level of Hox genes along three independent origins of aquatic mammals. This conclusion reinforces the idea that different changes in developmental genes may lead to similar phenotypes, probably due to the redundancy provided by the participation of Hox paralogous genes in several developmental functions.16Ciencia sem Fronteiras - Atracao de Jovens Talentos CAPES [054/2012]FAPESP-Brazil [2010/52316-3]CNPq-Brazil [563232/2010-2]Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq

Phosphoric Acid Increases the Porosity and Extends the Contact Area of Dental Osseo integrated Implants

The surface treatments are performed in dental implants in order to increase the chemical and mechanical connection between the implant and bone, favoring the stability of implant-supported prostheses. The aim of this study was to characterize dental implant surfaces treated with 37% phosphoric acid. Implant surfaces were evaluated divided into groups of fifty samples being distributed in: porcelain samples without treatment; metal samples without treatment; porcelain samples with treatment with 37% phosphoric acid for 30 seconds; metal samples treatment with phosphoric acid at 37% for 30 seconds; porcelain samples with treatment with 37% phosphoric acid for 60 seconds; metal samples with treatment with 37% phosphoric acid for 60 seconds. The samples were characterized by Scanning Electron Microscopy. After the phosphoric acid treatment porosity changes were observed and expanding the contact area. The results show benefits of using phosphoric acid, as a surface with increased roughness; this is desired to occur matrix deposition and growth of bone tissue and facilitates the fixation of implant-supported prostheses

Implications of flexible spacer rotational processes on the liquid crystal behavior of 4,5-dihydroisoxazole benzoate dimers

The synthesis of some novel non-symmetric liquid crystal dimers, {3-[4-(octyloxyphenyl)]-4,5-dihydroisoxazol-5-yl}alkyl 4-(decyloxy)benzoates (5a–d) and 4-{3-[4-(octyloxyphenyl)]-4,5-dihydroisoxazol-5-yl}alkyl 4-{[6-(octyloxy)naphthalen-2-yl]ethynyl}benzoate (9a–d), are reported. The liquid-crystalline properties, theoretical calculations based on the conformational aspects of the flexible alkyl spacer and X-ray experiments are discussed. The syntheses of the key intermediates, 2-{3-[4-(octyloxy)phenyl]-4,5-dihydroisoxazol-5-yl}alkanol (3a–d), presenting the flexible alkyl spacer were achieved through [3+2] cycloaddition reactions between nitrile oxides, which were generated in situ by oxidation of the respective aromatic oximes, and dipolarophile alkenols (CH2[double bond, length as m-dash]CH(CH2)nOH, n = 1, 2, 3, and 4). The benzoates 5a–d were synthesized through esterification of 3a–d and p-n-decyloxybenzoic acid (4). The esters 9a–d were synthesized through derivatization of isoxazolines 3a–d into 4-{3-[4-(octyloxyphenyl)]-4,5-dihydroisoxazol-5-yl}alkyl 4-bromobenzoate (7a–d) followed by a Sonogashira reaction with 2-ethynyl-6-octyloxynaphthalene (8). 5a and 5b showed a monotropic smectic C phase. 9a/c displayed a enantiotropic nematic (N) mesophase, whereas 9b/d showed a monotropic nematic mesophase. No mesophase was observed for 7a–d. An odd–even effect was observed for 5a–d and 9a–d associated with the crystal to isotropic phase transition and crystal to nematic phase, respectively, as the length of the spacer was increased from 1 to 4 carbon atoms. The transitional properties were higher for odd-numbered members (n = 1 and 3) for all of the series studied. The X-ray data of compounds 5a and 5b are in agreement with polarizing optical microscopy observations with the assignment of an SmC mesophase. Density functional theory calculations using the B3LYP hybrid functional with the level 6-311G(d,p) basis set were performed for molecules 5a–d to correlate the conformation of the flexible spacer and the transitional properties. The conformational analysis showed that the most stable conformation for 5a–d is one where all of the carbon atoms of the flexible spacer are orientated at 180° (antiperiplanar orientation) except for 5a because the spacer is too short. The odd-numbered members have a more bent shape and are less elongated molecules than the even-numbered members. Thus, mesomorphic behavior is dictated by the conformational constraint imposed by the flexible spacer on the mesogenic groups

Influence of Photoperiod on Biomass Production and Removal of Nutrients from Tannery Effluents with Microalgae Consortium

Content: Wastewater from tanneries besides having toxic compounds also contain nutrients such as carbon, phosphorus, and nitrogen, which facilitate the rapid multiplication of microalgae. Currently, many types of researches search microalgae capable of growing in industrial effluents, exploiting the advantages of removing the nutrients present in these waters and producing biomass with high value- added. The liquid effluents produced in tanneries for finished leather have essential nutrients for the growth of microalgae, but also some compounds that may restrict or hinder the growth of microalgae in this medium. Therefore, the present work has the objective to evaluate the growth of a microalgae consortium (collected in a wastewater treatment plant of a beamhouse tannery) for the removal of phosphorus and ammonia from wastewater streams of a tannery (processing wet-blue to finished leather) with different photoperiods. Microalgae consortium was cultivated at two different compositions of mixtures of raw wastewater (R) and wastewater after secondary biological treatment (B): 50% of R + 50% of B, (50R50B) and 75% of R + 25% of B, (75R25B), in photoperiod of 24 hours and 12 hours of light, temperature of 25 °C and constant aeration. The growth of microalgae in the effluent and the removal of phosphorus and ammonia were monitored throughout the cultivation. The microalgae consortium presented maximum biomass concentrations in the 75R25B effluent (1.40 g L-1) and phosphorus removal (97.64% for the 50R50B and 95.54% for the 75R25B) effluent and ammonia removal (100%) for both effluent with 24-hour photoperiod light. Take-Away: In this study, it was found that the microalgae consortium can survive in wastewater from tanneries (processing wet-blue to finished leather) and exhibit removals of phosphorus and ammonia from the medium. The 24-hour light photoperiod presented better microalgae growth and nutrient removal results