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Quantum effects on dislocation motion from ring-polymer molecular dynamics

npj Computational Materials 2018年第1期4卷 198-203页

作者： rodrigo freitas Mark Asta Vasily V.Bulatov Department of Materials Science and Engineering University of CaliforniaBerkeleyCA 94720USA Lawrence Livermore National Laboratory LivermoreCA 94550USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Department of Materials Science and Engineering Stanford UniversityStanfordCA 94305USA

Quantum motion of atoms known as zero-point vibration was recently proposed to explain a long-standing discrepancy between theoretically computed and experimentally measured low-temperature plastic strength of iron and possibly other metals with high atomic *** finding challenges the traditional notion that quantum motion of atoms is relatively unimportant in solids comprised of heavy *** we report quantum dynamic simulations of quantum effects on dislocation motion within the exact formalism of Ring-Polymer Molecular Dynamics(RPMD).To extend the reach of quantum atomistic simulations to length and time scales relevant for extended defects in materials,we implemented RPMD in the open-source code LAMMPS thus making the RPMD method widely available to the *** use our RPMD/LAMMPS approach for direct calculations of dislocation mobility and its effects on the yield strength ofα-*** simulation results establish that quantum effects are noticeable at temperatures below 50 K but account for only a modest(≈13% at T=0 K)overall reduction in the Peierls barrier,at variance with the factor of two reduction predicted earlier based on the more approximate framework of harmonic transition state *** results confirm that zero-point vibrations provide ample additional agitation for atomic motion that increases with decreasing temperature,however its enhancing effect on dislocation mobility is largely offset by an increase in the effective atom size,an effect known as quantum dispersion that has not been accounted for in the previous calculations.

关键词： theory quantum motion

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Recycling process and proto-kimberlite melt metasomatism in the lithosphere-asthenosphere boundary beneath the Amazonian Craton recorded by garnet xenocrysts and mantle xenoliths from the Carolina kimberlite

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Geoscience Frontiers 2022年第5期13卷 89-105页

作者： Fernanda Gervasoni Tiago Jalowitzki Marcelo Peres Rocha Ricardo Kalikowski Weska Eduardo Novais-Rodrigues rodrigo Antonio de freitas Rodrigues Yannick Bussweiler Elisa Soares Rocha Barbosa Jasper Berndt Elton Luiz Dantas Valmir da Silva Souza Stephan Klemme Centro de Engenharias Universidade Federal de Pelotas(UFPel)PelotasBrazil Programa de Pós-graduação em Geociências Universidade Federal do Rio Grande do SulPorto AlegreBrazil Programa de Pós-graduação em Geologia Instituto de GeociênciasUniversidade de Brasília(UnB)BrasíliaBrazil Faculdade de Geociências Universidade Federal do Mato Grosso(UFMT)CuiabáBrazil Institut für Geologie und Mineralogie Universität zu KölnGermany Faculdade de Ciências e Tecnologia Universidade Federal de Goiás(UFG)Aparecida de GoiâniaBrazil Institut für Mineralogie Universität MünsterMünsterGermany

Here we present new data on the major and trace element compositions of silicate and oxide minerals from mantle xenoliths brought to the surface by the Carolina kimberlite,Pimenta Bueno Kimberlitic Field,which is located on the southwestern border of the Amazonian *** also present Sr-Nd isotopic data of garnet xenocrysts and whole-rocks from the Carolina *** xenoliths are mainly clinopyroxenites and *** of the clinopyroxenites were classified as GPP–PP–PKP(garnet-phlogopite peridotite,phlogopite-peridotite,phlogopite-K-richterite peridotite)suites,and two clinopyroxenites(eclogites)and two garnetites are relicts of an ancient subducted *** and pressure estimates yield 855–1102℃ and 3.6–7.0 GPa,*** are enriched in light rare earth elements(LREE)(La_(N)/Yb_(N)=5–62;Ce_(N)/Sm_(N)=1–3;where N=primitive mantle normalized values),they have high Ca/Al ratios(10–410),low to medium Ti/Eu ratios(742–2840),and low Zr/Hf ratios(13–26),which suggest they were formed by metasomatic reactions with CO_(2)-rich silicate *** with high TiO_(2)(>2.0 wt.%),Al_(2)O_(3)(>12.0 wt.%),and FeOt(5.0–13.0 wt.%)resemble those found in the groundmass of kimberlites,lamproites and ***,phlogopite with low TiO_(2)(<1.0 wt.%)and lower Al_(2)O_(3)(<12.0 wt.%)are similar to those present in GPP-PP-PKP,and in MARID(mica-amphibole-rutile-ilmenite-diopside)and PIC(phlogopite-ilmenite-clinopyorxene)*** GPP-PP-PKP suite of xenoliths,together with the clinopyroxene and phlogopite major and trace element signatures suggests that an intense proto-kimberlite melt metasomatism occurred in the deep cratonic lithosphere beneath the Amazonian *** Sr-Nd isotopic ratios of pyrope xenocrysts(G3,G9 and G11)from the Carolina kimberlite are characterized by high ^(143)Nd/^(144)Nd(0.51287–0.51371)and eNd(+4.55 to+20.85)accompanied with enriched ^(87)Sr/^(86)Sr(0.70405–0.71098).These results suggest intera

关键词： Carolina kimberlite K-rich mantle xenoliths Ancient subducted slab Proto-kimberlite melt metasomatism

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Use of Spatial Analysis to Assess Geographic Accessibility of Community Pharmacies in São Mateus

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Pharmacology & Pharmacy 2013年第5期4卷 438-442页

作者： Brígida Dias Fernandes Aracelli Ferreira Lírio rodrigo Randow de freitas Ana Carolina Melchiors Pharmacy Pratice Research Group Departamento de Ciências da Saúde-DCS Sao Mateus Brasil. Universidade Federal do Espírito Santo-UFES Centro Universitário Norte do Espírito Santo-CEUNES Departamento de Ciências da Saúde-DCS Sao Mateus Brasil Universidade Federal do Espírito Santo-UFES Centro Universitário Norte do Espírito Santo-CEUNES Departamento de Engenharias e Computacao-DETEC Núcleo de Pesquisa em Gestao de Sistemas de Producao (NPGSP) Laboratório de Gestao Costeira-Aquicultura e Pesca (LGCap) Sao Mateus Brasil Pharmacy Pratice Research Group Departamento de Ciências da Saúde-DCS Sao Mateus Brasil.

Pharmaceutical services contribute to the rational use of medicines by ensuring the provision of appropriate, safe and effective pharmacotherapies. Thus, it is important to investigate whether the geographical distribution of pharmacies causes inequalities in access in countries like Brazil, where there is no federal law regulating the opening of new establishments (in contrast to many European countries). This study analyzed the accessibility of community pharmacies in the city of Sao Mateus, Espírito Santo, Brazil. The authors obtained the geographical coordinates of pharmacies and healthfacilities, which scanned and georeferenced the study area. The 40 pharmacies included in the spatial analysis presented a heterogeneous distribution, with the existence of neighborhoods with an accumulation of pharmacies and others with no pharmacies. The authors found that only 43.7% of the study area received pharmaceutical service coverage, when buffer zones of 350 meters are incorporated, and that most of the districts have a minimum distance of 100 meters between health facilities and pharmacies. It was concluded that the use of GIS proved to be very suitable for analysis of pharmaceutical services, enabling knowledge of the local situation and serving as a stimulus for future studies.

关键词： Geographical Accessibility Quality Pharmaceutical Service Spatial Analysis Distribution of Pharmacies Quality Assessment

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Clay mineralogy affects the efficiency of sewage sludge in reducing lead retention of soils

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Journal of Environmental Sciences 2019年第6期31卷 45-57页

作者： Giovana Clarice Poggere Vander freitas Melo Beatriz Monte Serrat Ant?nio Salvio Mangrich Amanda Araújo Fran?a rodrigo Stuart Corrêa Julierme Zimmer Barbosa Soil Science and Agricultural Engineering Department Federal University of Paraná State Chemistry Department Federal University of Paraná StateCentro Politécnico Institute of Criminalistic Civil Police

Recent studies have shown the feasibility of using of sewage sludge for the remediation of heavy metal-contaminated soils. However, there are no researches to check the influence of clay mineralogy on the efficiency of the sewage sludge to remediation of contaminated soils with heavy metals. For this purpose, we use two contrasting soils:Oxisol rich in hematite and gibbsite and Inceptisol rich in kaolinite. Thermal-treated sludge was applied to Pb-contaminated soil samples and incubated for 40 days. The soil samples were submitted to seven sequential extractions: soluble-Pb, exchangeable-Pb,precipitated-Pb, organic matter-Pb, Fe and Mn oxide-Pb, gibbsite and kaolinite-Pb, and residual-Pb. The reduction of soluble Pb forms by thermal sludge application was more pronounced in the Oxisol than in the Inceptisol because of the conversion of soluble-Pb into more stable forms, such as precipitated-Pb and oxides-Pb. For Inceptisol was necessary to apply high rates of thermal sludge to reach a significant reduction in soluble-Pb contents. The addition of humic fractions in the form of thermal sludge increased the concentration of organic matter-Pb. In confined area, the use of sewage sludge to reduce the heavy metals levels in soils must be better considered, mainly in more weathered soils.

关键词： Sequential extraction Humic fraction Fe oxides Gibbsite Kaolinite

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Thermal Bridges Impact on Energy Consumption in Residential Buildings Considering the Brazilian Bioclimatic Zoning

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Journal of Civil Engineering and Architecture 2016年第10期10卷 1114-1130页

作者： Eduardo Grala da Cunha Julye Ramalho de freitas Beatriz Echenique Gioielli rodrigo Karini Leitzke Letiane Beninca Laboratory of Comfort and Energy Efficiency Faculty of Architecture and Urbanism Federal University of Pelotas Pelotas96010-020 Brazil Computer Science Federal University of Pelotas Pelotas 96010-020 Brazil IMED Meridional College Passo Fundo 99070-220 Brazil

With the considerable increase in electric power consumption, searching for buildings with lower energy impact has become a crucial factor on controlling energy consumption, as well as designing buildings with high thermal comfort. Thermal bridges are weak points in buildings where the thermal resistance varies considerably between two distinct points. Depending on the situation, the existence of thermal bridges in a building can be favorable to the achievement of the expected thermal comfort and lower energy consumption. The aim of this paper is to analyze the impact of thermal bridges of reinforced concrete structure regarding to energy consumption for residential buildings in the Brazilian bioclimatic zones. The used method is characterized by computer simulations of distinct cases configured with and without thermal bridges. The results show that in most bioclimatic zones, the presence of thermal bridges in the wall composition contributes to the reduction of energy consumption for both heating and cooling, and independent of the wall＇s insulation level, solar absorptance is a major factor in the energy consumption levels, walls with smaller absorptance consume less and this consumption increases gradually with increasing absorptance.

关键词： Thermal bridges energy modeling energy efficiency residential buildings.

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Biofilm analyses and exoproduct release by clinical and environmental isolates of Burkholderia pseudomallei from Brazil

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Asian Pacific Journal of Tropical Medicine 2023年第7期16卷 321-328页

作者： Glaucia Morgana de Melo Guedes Crister JoséOcadaque Alyne Soares freitas rodrigo Machado Pinheiro Giovanna Barbosa Riello Silviane Praciano Bandeira Rossana de Aguiar Cordeiro Marcos Fábio Gadelha Rocha JoséJúlio Costa Sidrim Débora de Souza Collares Maia Castelo-Branco Department of Pathology and Legal Medicine Postgraduate Program in Medical MicrobiologyGroup of Applied Medical MicrobiologyFederal University of CearáFortalezaCEBrazil Department of Clinical and Toxicological Analysis School of PharmacyFederal University of CearáFortalezaCEBrazil Department of Pathology and Legal Medicine Postgraduate Program in Medical MicrobiologyLaboratory of Emerging and Reemerging PathogensFederal University of CearáFortalezaCEBrazil School of Veterinary Medicine Postgraduate Program in Veterinary SciencesState University of CearáFortalezaCEBrazil

Objective:To characterize biofilm production by clinical(n=21)and environmental(n=11)isolates of Burkholderia pseudomallei and evaluate the production of proteases,hemolysins and ***:Initially,the 32 strains were evaluated for biofilm production in Müller-Hinton broth-1%glucose(MH-1%glucose)and BHI broth-1%glucose,using the crystal violet staining ***,growing(48 h)and mature(72 h)biofilms were evaluated by confocal ***,the production of proteases,hemolysins and siderophores by planktonic aggregates,growing biofilms and mature biofilms was ***:All isolates produced biofilms,but clinical isolates had significantly higher biomass in both MH-1%glucose(P<0.001)and BHI-glucose 1%(P=0.005).The structural analyses by confocal microscopy showed thick biofilms,composed of multiple layers of cells,homogeneously arranged,with mature biofilms of clinical isolates presenting higher biomass(P=0.019)and thickness of the entire area(P=0.029),and lower roughness coefficient(P=0.007)than those of environmental *** production by growing biofilms was significantly greater than that of planktonic(P<0.001)and mature biofilms(P<0.001).Hemolysin release by planktonic aggregates was higher than that of biofilms(P<0.001).Regarding siderophores,mature biofilms presented higher production than growing biofilms(P<0.001)and planktonic aggregates(P<0.001).Conclusions:Clinical isolates have higher production of biofilms than their environmental counterparts;protease and siderophores seem important for growth and maintenance of Burkholderia pseudomallei biofilms.

关键词： Mangosteen Burkholderia pseudomallei Biofilms Proteases Hemolysins Siderophores

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Using Social Networks to Support Software Ecosystems Comprehension and Evolution

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Social Networking 2014年第2期3卷 108-118页

作者： rodrigo Pereira dos Santos Maria Gilda P. Esteves Gleisson de S. freitas Jano Moreira de Souza System Engineering and Computer Science COPPE University of Rio de Janeiro Rio de Janeiro Brazil

The software industry has evolved to a multiple-product development created on a platform and based on a common architecture integrated to other systems. This integration happens through components and third-party developers networks in Software Ecosystems (SECOs). Since systems and software development processes present challenges beyond the technical side, SECOs have emerged as an approach to improve the Software Engineering (SE) mindset in the industry. This fact changes the software industry as it requires the management of an integrated social-based environment to support a transition from an intra-organizational to an open business model approach towards a SECO approach. In this context, social networks can be important to coordinate a collaborative and distributed environment to develop SECOs platforms. This paper analyses the impact of social networks in SECOs through an integrated framework of the SECO and social network challenges. So, a proposal for a sociotechnical-based architecture to support the SECOs lifecycle is discussed.

关键词： Software Ecosystems Social Networks Software Life Cycle Innovation

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Electromagnetic Zero-Sequence Harmonics Blocker： Modeling and Experimental Analysis

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Journal of Energy and Power Engineering 2014年第8期8卷 1425-1431页

作者： Luis C. Origa de Oliveira rodrigo N. de Oliveira Julio B. de Souza Stefani C. L. de freitas Faculty of Engineering UNESP--Paulista State University llha Solteira Sao Paulo 15385-000 Brazil Faculty of Engineering UFT-- Federal University of Tocantins Palmas Tocantins 77001-090 Brazil

This paper reveals new contributions to the analysis and development of devices for harmonic distortion mitigation. Considering the sequential distribution of harmonic currents, zero-sequence components could be diminished using electromagnetic devices, particularly the eZSB （electromagnetic zero-sequence blocking）. One important characteristic of this device, which has received particular attention on this research, is its robustness and low cost of construction. Theoretical and experimental results related to the behavior of the electromagnetic blocking devices are presented. The results illustrate the consistence of the theoretical aspects related with the model in the frequency domain, as well as the performance of the blocking devices, reducing zero-sequence harmonic currents, mainly by the conjunct action of the eZSF （electromagnetic zero-sequence harmonic filter）, working as a impedance coupler. In this context, aiming the evaluation of the reliability of the results obtained through mathematical modeling, experimental tests have been carried out using a low-power prototype, highlighting particular aspects related to its function as a zero-sequence harmonic blocker.

关键词： Electromagnetic blocker zero-sequence harmonics triplens harmonics power quality

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Quali-Quantitative Analysis of Brazilian Environmental Licensing of Hydropower Plants

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International Journal of Geosciences 2015年第7期6卷 692-704页

作者： Fabio Giusti Azevedo de Britto Jose Paulo Soares de Azevedo Cynara Alets Sthuasth Souza de Melo Franca rodrigo Cunha Wanick Leandro Andrei Beser de Deus Marcos Aurelio Vasconcelos de freitas Federal University of Rio de Janeiro Rio de JaneiroBrazi National School of Statistical Sciences Rio de JaneiroBrazi State University of Rio de Janeiro Rio de JaneiroBrazi

The use of the extraordinary hydroelectric potential of the Amazon Basin originated an increase in the offer of renewable energy in Brazil, which, in its turn, leads to conflicts and a lack of consensus among different players owing to the potential negative impacts related to the construction and operation of large hydroelectric power plants in relatively well preserved areas. In this context, environmental licensing is one of the national environmental policy’s main instruments for making decisions regarding the use of the hydroelectric potential, especially the rivers of the Amazon Basin. Nevertheless, this significant instrument has its limitations and requires adjustments in order to better aid the decision making process regarding the use of water resources and land with the goal of increasing the offer of electric energy.

关键词： Expansion of Renewable Energy Environmental Licensing Hydropower Plants Energy

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Characterization of Fruits in Contrasting Environments and Germination of Tamarillo Seeds at Different Temperatures

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American Journal of Plant Sciences 2018年第1期9卷 23-33页

作者： Khétrin Silva Maciel Paula Aparecida Muniz de Lima Fernando Zanotti Madalon Simone de Paiva Caetano Bucker Moraes Patrícia Alvarez Cabanez Nathália Aparecida Braganca Fávaris Allan Rocha de freitas Nohora Vélez Carvajal rodrigo Sobreira Alexandre Jose Carlos Lopes Federal University of Espírito Santo UFESAlegreBrazil

Tamarillo (Solanum betaceum Cav. Syn Cyphomandra betacea Cav.) Sendt is a small tree native to the subtropical Andean region of South America from Colombia to Chile, popularly known as arboreal tomato, belonging to the family Solanaceae. The objective of this study was to evaluate the physicochemical characteristics of fruits and the germination of tamarillo (Solanum betaceum) seeds produced in the Caparaó-ES and MG regions. The following procedures were performed: Fruit and peel biometrics;fruit weight;pulp and peel weight;thousand-seed weight, pulp and peel yield and fruit dry mass. In the physicochemical analysis, the following parameters were determined: pH;soluble solids;titratable acidity and ratio. For the analysis of the physiological quality of the seeds, different temperatures (20°C;25°C;30°C and 20°C - 30°C) were evaluated in the presence and absence of light and the following was determined: Seed moisture content;germination;germination speed index;germination mean time;shoot length;root and total seedling dry mass. Tamarillo in the region of Caparaó-ES presents greater chemical characteristics of the fruits, germination and vigor, and in the region of Caparaó-MG presents greater physical characteristics of the fruits. Tamarillo can germinate both in the presence and absence of light, although in the presence of light, it presents greater vigor.

关键词： Solanum betaceum Temperatures Brightness and Biometric

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