Elastic and vibrational properties of alpha and beta-PbO

The structure, electronic and dynamic properties of the two layered alpha (litharge) and beta (massicot) phases of PbO have been studied by density functional methods. The role of London dispersion interactions as leading component of the total interaction energy between layers has been addressed by using the Grimme's approach, in which new parameters for Pb and O atoms have been developed. Both gradient corrected and hybrid functionals have been adopted using Gaussian-type basis sets of polarized triple zeta quality for O atoms and small core pseudo-potential for the Pb atoms. Basis set superposition error (BSSE) has been accounted for by the Boys-Bernardi correction to compute the interlayer separation. Cross check with calculations adopting plane waves that are BSSE free have also been performed for both structures and vibrational frequencies. With the new set of proposed Grimme's type parameters structures and dynamical parameters for both PbO phases are in good agreement with experimental data.Comment: 8 pages, 5 figure

Novel insights into the genomic basis of citrus canker based on the genome sequences of two strains of Xanthomonas fuscans subsp. aurantifolii

Background: Citrus canker is a disease that has severe economic impact on the citrus industry worldwide. There are three types of canker, called A, B, and C. The three types have different phenotypes and affect different citrus species. The causative agent for type A is Xanthomonas citri subsp. citri, whose genome sequence was made available in 2002. Xanthomonas fuscans subsp. aurantifolii strain B causes canker B and Xanthomonas fuscans subsp. aurantifolii strain C causes canker C. Results: We have sequenced the genomes of strains B and C to draft status. We have compared their genomic content to X. citri subsp. citri and to other Xanthomonas genomes, with special emphasis on type III secreted effector repertoires. In addition to pthA, already known to be present in all three citrus canker strains, two additional effector genes, xopE3 and xopAI, are also present in all three strains and are both located on the same putative genomic island. These two effector genes, along with one other effector-like gene in the same region, are thus good candidates for being pathogenicity factors on citrus. Numerous gene content differences also exist between the three cankers strains, which can be correlated with their different virulence and host range. Particular attention was placed on the analysis of genes involved in biofilm formation and quorum sensing, type IV secretion, flagellum synthesis and motility, lipopolysacharide synthesis, and on the gene xacPNP, which codes for a natriuretic protein. Conclusion: We have uncovered numerous commonalities and differences in gene content between the genomes of the pathogenic agents causing citrus canker A, B, and C and other Xanthomonas genomes. Molecular genetics can now be employed to determine the role of these genes in plant-microbe interactions. The gained knowledge will be instrumental for improving citrus canker control.Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP)Conselho Nacional de Desenvolvimento CientIfico e Tecnologico (CNPq)Coordenacao para Aperfeicoamento de Pessoal de Ensino Superior (CAPES)Fundo de Defesa da Citricultura (FUNDECITRUS

Development of a wet vapor homogeneous liquid metal MHD power system. Final report

A feasibility study for the approval of liquid metal seeds recovery from a liquid metal vapor-inert gas mixture was conducted and presented in this report. The research activity included background studies on processes relating to mixing stream condenser performance, parametric studies and its experimental validation. The condensation process under study includes mass transfer phenomena combined with heat transfer and phase change. Numerical methods were used in order to solve the dynamic equations and to carry out the parametric study as well as the experimental data reduction. The MSC performance is highly effected by droplet diameter, thus the possibility of atomizing liquid metals were experimentally investigated. The results are generalized and finally used for a set of recommendations by which the recovery of seeds is expected to be feasible

Shear mode M3 in the first sites of ductile metallic alloys: Some considerations on the physical mechanisms leading to internal particle flows

WOM 2019 - 22nd International Conference on Wear of Materials, 14-18 April 2019, Hyatt Regency Miami, Miami, FL, USAInternational audienceThis paper examines plastic mechanisms that lead to damage to the sub-surfaces of ductile metallic contact areas and, by extension, to the creation of wear particles. The word “damage” is used here as a generic term to designate all topological, morphological and/or microstructural modifications to the surfaces that are the consequence of interfacial shear stress under friction. During friction, the accommodation mechanisms of plastic deformation by the M3 mode in the contact area can be different, depending on the microstructures of the alloy and the first sites (bulk materials).For example, for tempered martensitic steels under frictional stresses, plasticity strain occurs in Tribologically Transformed Surfaces (TTS) under dislocation gliding. The creation of new dislocations and the rearrangement of all these dislocations into a “bamboo”-type structure leads to a decrease in hardness, or softening of the steel.Otherwise, depending on the stacking fault energy in alloy microstructures, plasticity may occur through mechanisms involving either perfect dislocation gliding and/or partial dislocation gliding. In addition to hardening, the mobility and morphology of dislocations are also related to stacking fault energy, which can promote phase transformation leading to shear strain in TTS. These shear strain mechanisms have a great influence on the internal flow of wear particles and on the formation of the “Third-body layers”. These findings are given in a review of tribological results of measurements carried out on a wrought X38CrMoV5 grade steel and on cobalt-base thick coatings, using tribometers, under various loadings, test temperatures and sliding speeds. The cobalt-base thick coatings are deposited on steel by several processes which modify the nominal chemical composition of the cobalt alloy and make it possible to study the influence of the iron content on shear strain under friction stresses