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Superconductivity in antiperovskites

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npj Computational Materials 2022年第1期8卷 1424-1433页

作者： Noah Hoffmann tiago f.t.cerqueira Jonathan Schmidt Miguel A.L.Marques Institut für Physik Martin-Luther-Universität Halle-WittenbergD-06099HalleGermany CfisUC Department of PhysicsUniversity of CoimbraRua Larga3004-516CoimbraPortugal

We present a comprehensive theoretical study of conventional superconductivity in cubic antiperovskites materials with composition XYZ_(3) where X and Z are metals,and Y is H,B,C,N,O,and P.Our starting point are electron–phonon calculations for 397 materials performed with density-functional perturbation theory.While 43%of the materials are dynamically unstable,we discovered 16 compounds close to thermodynamic stability and with t_(c) higher than 5 K.Using these results to train interpretable machine-learning models,leads us to predict a further 57(thermodynamically unstable)materials with superconducting transition temperatures above 5 K,reaching a maximum of 17.8 K for PtHBe3.furthermore,the models give us an understanding of the mechanism of superconductivity in antiperovskites.the combination of traditional approaches with interpretable machine learning turns out to be a very efficient methodology to study and systematize whole classes of materials and is easily extendable to other families of compounds or physical properties.

关键词： properties theory perovskite

Older Adult Compendium of Physical Activities:Energy costs of human activities in adults aged 60 and older

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Journal of Sport and Health Science 2024年第1期13卷 13-17,F0003页

作者： Erik A.Willis Stephen D.Herrmann Mary Hastert Chelsea L.Kracht tiago V.Barreira John M.Schuna Jr. Zhenghua Cai Minghui Quan Scott A.Conger Wendy J.Brown Barbara E.Ainsworth Center for Health Promotion and Disease Prevention University of North Carolina at Chapel HillChapel HillNC 27599USA Kansas Center for Metabolism and Obesity Research The University of Kansas Medical CenterKansas CityKS 66160USA Division of Physical Activity and Weight Management Department of Internal MedicineUniversity of Kansas Medical CenterKansas CityKS 66160USA Clinical Science Division Pennington Biomedical Research CenterBaton RougeLA 70808USA Exercise Science Department Syracuse UniversitySyracuseNY 13244USA School of Exercise&Sport Science Oregon State UniversityCorvallisOR 97331USA School of Exercise and Health Shanghai University of SportShanghai 200438China Department of Kinesiology Boise State UniversityBoiseID 83725USA School of Human Movement and Nutrition Sciences The University of QueenslandSt.LuciaQLD 4072Australia faculty of Health Sciences and Medicine Bond UniversityGold CoastQLD 4229Australia College of Health Solutions Arizona State UniversityPhoenixAZ 85003USA

Purpose:to describe the development of a Compendium for estimating the energy costs of activities in adults>60 years(OA Compendium).Methods:Physical activities(PAs)and their metabolic equivalent of task(MEt)values were obtained from a systematic search of studies published in 4 sport and exercise databases(PubMed,Embase,SPORtDiscus(EBSCOhost),and Scopus)and a review of articles included in the 2011 Adult Compendium that measured PA in older adults.MEt values were computed as the oxygen cost(VO_(2),mL/kg/min)during PA divided by 2.7 m L/kg/min(MEt_(60+))to account for the lower resting metabolic rate in older adults.Results:We identified 68 articles and extracted energy expenditure data on 427 PAs.from these,we derived 99 unique Specific Activity codes with corresponding MEt_(60+)values for older adults.We developed a website to present the OA Compendium MEt_(60+)values:https://pacompendium.com.Conclusion:the OA Compendium uses data collected from adults>60 years for more accurate estimation of the energy cost of PAs in older adults.It is an accessible resource that will allow researchers,educators,and practitioners to find MEt_(60+)values for older adults for use in PA research and practice.

关键词： Energy expenditure Exercise MEt Older adults

2024 Adult Compendium of Physical Activities:A third update of the energy costs of human activities

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Journal of Sport and Health Science 2024年第1期13卷 6-12页

作者： Stephen D.Herrmann Erik A.Willis Barbara E.Ainsworth tiago V.Barreira Mary Hastert Chelsea L.Kracht John M.Schuna Jr. Zhenghui Cai Minghui Quan Catrine tudor-Locke Melicia C.Whitt-Glover David R. Jacobs Jr. Kansas Center for Metabolism and Obesity Research University of Kansas Medical CenterKansas CityKS 66160USA Division of Physical Activity and Weight Management Department of Internal MedicineUniversity of Kansas Medical CenterKansas CityKS 66160USA Center for Health Promotion and Disease Prevention University of North Carolina at Chapel HillChapel HillNC 27599USA College of Health Solutions Arizona State UniversityPhoenixAZ 85003USA School of Exercise and Health Shanghai University of SportShanghai 200438China Exercise Science Department Syracuse UniversitySyracuseNY 13244USA Clinical Sciences Division Pennington Biomedical Research CenterBaton RougeLA 70808USA School of Exercise and Sport Science Oregon State UniversityCorvallisOR 97331USA College of Health and Human Services University of North Carolina at CharlotteCharlotteNC 28223USA Gramercy Research Group KnightdaleNC 27545USA Division of Epidemiology and Community Health School of Public HealthUniversity of MinnesotaMinneapolisMN 55454USA

Background:the Compendium of Physical Activities was published in 1993 to improve the comparability of energy expenditure values assigned to self-reported physical activity(PA)across studies.the original version was updated in 2000,and again in 2011,and has been widely used to support PA research,practice,and public health guidelines.Methods:this 2024 update was tailored for adults 19-59 years of age by removing data from those≥60 years.Using a systematic review and supplementary searches,we identified new activities and their associated measured metabolic equivalent(MEt)values(using indirect calorimetry)published since 2011.We replaced estimated MEts with measured values when possible.Results:We screened 32,173 abstracts and 1507 full-text papers and extracted 2356 PA energy expenditure values from 701 papers.We added303 new PAs and adjusted 176 existing MEt values and descriptions to reflect the addition of new data and removal of MEts for older adults.We added a Major Heading(Video Games).the 2024 Adult Compendium includes 1114 PAs(912 with measured and 202 with estimated values)across 22 Major Headings.Conclusion:this comprehensive update and refinement led to the creation of the 2024 Adult Compendium,which has utility across research,public health,education,and healthcare domains,as well as in the development of consumer health technologies.the new website with the complete lists of PAs and supporting resources is available at https://***.

关键词： Adults Energy expenditure Exercise MEt Physical Activities

Experimental evidence of pressure effects on spinel dissolution and peridotite serpentinization kinetics under shallow hydrothermal conditions

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Geoscience frontiers 2024年第2期15卷 236-250页

作者： Yuri de Melo Portella Rommulo Vieira Conceição tiago Abreu Siqueira Lucas Bonan Gomes Rodrigo Sebastian Iglesias Programa de Pós-Graduação em Geociências(PPGGEO) Universidade Federal do Rio Grande do SulPorto AlegreBrazil Petrobras–Petróleo Brasileiro S.A. Avenida Henrique Valadares 28CentroRio de Janeiro(RJ)20231-030Brazil Instituto do Petróleo e dos Recursos Naturais-PUCRS–Pontifícia Universidade Católica do Rio Grande do Sul 90619-900Porto AlegreBrazil Universidade federal do Rio Grande do Sul Instituto de GeociênciasLaboratório de Difratometria de Raios XPorto AlegreBrazil Escola Politécnica–PUCRS-Pontifícia Universidade Católica do Rio Grande do Sul 90619-900 Porto AlegreBrazil

Serpentinization reactions are paramount to understand hydro-geothermal activity near plate boundaries and mafic–ultramafic massifs,as well as fluid and element transfer between the Earth’s mantle and crust.However,fluid-rock element exchange and serpentinization kinetics under shallow hydrothermal conditions is still largely unconstrained.Here we present two constant temperature(230℃)time-series of natural peridotite(77.5%olivine;13.7%enstatite;6.8%diopside;2%spinel)serpentinization experiments:at 13.4 MPa;and 20.7 MPa.Al-enriched lizardite was the main secondary mineral in all runs after olivine(olv)and orthopyroxene(opx)serpentinization(without any detectable brucite,talc or magnetite),while primary spinel and diopside partially dissolved during the experiments.Initial serpentinization stages comprises intrinsically coupled reactions between olivine and enstatite,as Al and Si are progressively transferred from orthopyroxene-derived to olivine-derived serpentine,while the opposite is true for Mg and fe,with homogenization of serpentines compositions after 40 days.the Ni/Cr ratios of serpentines,however,remain diagnostic of the respective primary mineral.Estimated average serpentine content indicates fast serpentinization rates of 0.55 wt.%·day^(-1)(0.26 mmol·day^(-1))and 0.26 wt.%·day^(-1)(0.13 mmol·day^(-1))at 13.4 and 20.7 MPa,respectively.Approximately 2x faster serpentinization kinetics at lower pressure is likely linked to enhanced spinel dissolution leading to one order of magnitude higher available Al,which accelerates olivine serpentinization while delays orthopyroxene dissolution.Additionally,time-dependent increase in solid products masses suggests rock volume expands linearly 0.37%±0.01%per serpentine wt.%independently of pressure.Mass balance constrains suggests olv:opx react at~5:2 and~3:2 M ratios,resulting in Si-deficient and Si-saturated serpentines at the end of the low-pressure series(13.4 MPa)and high-pressure series(20.7 MPa),respectively.Elevated starting peridotite olv:opx ratio(7.94:1)the

关键词： Serpentine Volume expansion Serpentinization fluids Lost City hydrothermal field Serpentinite-hosted hydrothermal systems Hydrogen(H_(2))generation

Hydrogen-based direct reduction of industrial iron ore pellets:Statistically designed experiments and computational simulation

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International Journal of Minerals,Metallurgy and Materials 2022年第10期29卷 1908-1921页

作者： Patrícia Metolina tiago Ramos Ribeiro Roberto Guardani Chemical Systems Engineering Center Department of Chemical EngineeringUniversity of São PauloSão Paulo 05508-900Brazil Metallurgical Process Laboratory Institute of Technological ResearchSão Paulo 05508-901Brazil

As part of efforts to reduce anthropogenic CO_(2) emissions by the steelmaking industry,this study investigated the direct reduction of industrially produced hematite pellets with H_(2) using the Doehlert experimental design to evaluate the effect of pellet diameter(10.5-16.5 mm),porosity(0.36-0.44),and temperature(600-1200℃).A strong interactive effect between temperature and pellet size was observed,indicating that these variables cannot be considered independently.the increase in temperature and decrease in pellet size considerably favor the reduction rate,while porosity did not show a relevant effect.the change in pellet size during the reduction was negligible,except at elevated temperatures due to crack formation.A considerable decrease in mechanical strength at high temperatures suggests a maximum process operating temperature of 900℃.Good predictive capacity was achieved using the modified grain model to simulate the three consecutive non-catalytic gas-solid reactions,considering different pellet sizes and porosities,changes during the reaction from 800 to 900℃.However,for other temperatures,different mechanisms of structural modifications must be considered in the modeling.these results represent significant contributions to the development of ore pellets for CO_(2)-free steelmaking technology.

关键词： hydrogen use non-catalytic gas-solid reaction grain model porous hematite pellet CO_(2)emissions reduction Doehlert experimental design

Chemical-Abrasion U-Pb zircon geochronology reveals 150 Myr of partial melting events in the Archean crust of the São francisco Craton

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Geoscience frontiers 2022年第5期13卷 169-189页

作者： Lorena Martins Cristiano Lana Ariela Mazoz tiago Novo Applied Isotope Research Group Departamento de GeologiaEscola de MinasUniversidade Federal de Ouro PretoMorro do CruzeiroOuro PretoMG35400-000Brazil Universidade federal de Minas Gerais Programa de Pós-Graduação em GeologiaIGC-CPMTCCampus PampulhaAv.Antônio Carlos 6627Belo HorizonteMG31270-901Brazil

field observations and CA-LA-ICP-MS U–Pb zircon ages and Hf isotope compositions obtained from migmatitic orthogneisses and granitoids from the Belo Horizonte Complex,southern São francisco Craton,indicate a major period of partial melting and production of felsic rocks in the Neoarchean.Our observations show that the complex is an important site for studying partial melting processes of Archean crystalline crust.Much of the complex exposes fine-grained stromatic migmatites that are intruded by multiple leucogranitic veins and sheeted dikes.Both migmatites and leucogranite sheets are crosscut by several phases of granitoid batholiths and small granitic bodies;both of which are closely associated with the host banded gneisses.Chemical abrasion followed by detailed cathodoluminescence imaging revealed a wide variety of zircon textures that are consistent with a long-lived period of partial melting and crustal remobilization.Results of U-Pb and Hf isotopes disclose the complex as part of a much wider crustal segment,encompassing the entire southern part of the São francisco Craton.Compilation of available U-Pb ages suggests that this crustal segment was consolidated sometime between 3000 Ma and 2900 Ma and that it experienced three main episodes of partial melting before stabilization at 2600 Ma.the partial melting episodes took place between 2750 Ma and 2600 Ma as a result of tectonic accretion and peeling off the lithospheric mantle and lower crust.this process is likely responsible for the emplacement of voluminous potassic granitoids across the entire São francisco Craton.We believe that the partial melting of Meso-Archean crystalline crust and production of potassic granitoids are linked to a fundamental shift in the tectonics of the craton,which was also responsible for the widespread intrusion of large syenitic bodies in the northern part of the craton,and the construction of layered mafic–ultramafic intrusions to the south of the BHC.

关键词： Archean São francisco Craton Crustal reworking U-Pb geochronology Lu-Hf isotopes

A Smart Deep Convolutional Neural Network for Real-time Surface Inspection

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Computer Systems Science & Engineering 2022年第5期41卷 583-593页

作者： Adriano G.Passos tiago Cousseau Marco A.Luersen Department of Mechanical Engineering Federal University of TechnologyParanaCuritiba81280-340PRBrazil

A proper detection and classification of defects in steel sheets in real time have become a requirement for manufacturing these products,largely used in many industrial sectors.However,computers used in the production line of small to medium size companies,in general,lack performance to attend real-time inspection with high processing demands.In this paper,a smart deep convolutional neural network for using in real-time surface inspection of steel rolling sheets is proposed.the architecture is based on the state-of-the-art SqueezeNet approach,which was originally developed for usage with autonomous vehicles.the main features of the proposed model are:small size and low computational burden.the model is 10 to 20 times smaller when compared to other networks designed for the same task,and more than 700 times smaller than general networks.Also,the number of floating-point operations for a prediction is about 50 times lower than the ones used for similar tasks.Despite its small size,the proposed model achieved near-perfect accuracy on a public dataset of 1800 images of six types of steel rolling defects.

关键词： Deep learning surface defects classification steel rolling

towards the automation of book typesetting

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Visual Informatics 2023年第2期7卷 1-12页

作者： Sérgio M.Rebelo tiago Martins Diogo ferreira Artur Rebelo University of Coimbra Centre for Informatics and Systems of the University of CoimbraDepartment of Informatics EngineeringCoimbraPortugal

this paper proposes a generative approach for the automatic typesetting of books in desktop publishing.the presented system consists in a computer script that operates inside a widely used design software tool and implements a generative process based on several typographic rules,styles and principles which have been identified in the literature.the performance of the proposed system is tested through an experiment which included the evaluation of its outputs with people.the results reveal the ability of the system to consistently create varied book designs from the same input content as well as visually coherent book designs with different contents while complying with fundamental typographic principles.

关键词： Design tools Data-driven design Generative design Graphic design typography

trauma outcomes in nonfatal road traffic accidents:a Portuguese medico-legal approach

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forensic Sciences Research 2022年第3期7卷 528-539页

作者： flávia Cunha-Diniz tiago taveira-Gomes JoséManuel teixeira teresa Magalhães CINtESIS—faculty of Medicine University of PortoPortoPortugal IINfACtS—Institute of Research and Advanced training in Health Sciences and technologies Department of SciencesUniversity Institute of Health Sciences(IUCS)CESPUCRLGandraPortugal fernando Pessoa University PortoPortugal Porto Healthcare Unity—Accidents Fidelidade—Insurance CompanyPortoPortugal

the objective of this study was to compare the outcomes of nonfatal road traffic accidents by the victims’age group and sex.We used the Portuguese medico-legal rules for personal injury assessment,in the scope of the Civil Law in that country,which includes a three-dimensional methodology.this was a retrospective study including 667 victims of road traffic accidents aged 3–94 years old.their final medico-legal reports all used the Portuguese methodology for personal injury assessment.Outcomes were analysed by the victims’age group(children,working-age adults,and older people)and sex.Road traffic accidents were generally serious(ISS mean 9.5),with higher severity in children and older people.the most frequent body sequelae were musculoskeletal(64.8%),which were associated with functional and situational outcomes.temporary damage resulted in an average length of impairment of daily life of 199.6 days,171.7 days to return to work,and an average degree of quantum doloris(noneconomic damage related to physical and psychological harm)of 3.7/7.the average permanent damage was 7.3/100 points for Permanent functional Deficit,0.43/3 for Permanent Professional Repercussion,2/7 for Permanent Aesthetic Damage,3.9/7 for Permanent Repercussion on Sexual Activity and 3.2/7 for Permanent Repercussion on Sport and Leisure Activities.Overall,19%of people became permanently dependent(10.6%needed third-party assistance).the medico-legal methodology used,considering victims’real-life situation,allows a comprehensive assessment.there were several significant differences among the three age groups but none between sexes.these differences and the impact of the more severe cases justify further detailed medico-legal studies in these specific situations on children,older people,and severely injured victims.

关键词： forensic sciences traffic accident trauma injury damage outcome assessment legal medicine