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Electronic and thermoelectric properties of YbMg_(2)X_(2)(X=P,As,Sb,Bi)zintl compounds by first-principles method

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Journal of rare Earths 2024年第1期42卷 147-154,I0006页

作者： Sajid Khan Dil Faraz Khan r.Neffati Tariq Usman Muhammad Waqar Ahsraf Shamim Khan Saeed Ullah Jan g.Murtaza Department of Physics University of Science&Technology BannuBannu28100Pakistan Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Laboratoire de Physique de La Matiere Condensee Departement de PhysiqueFaculte des Sciences de TunisUniversite Tunis El ManarCampus Universitaire1060TunisTunisia Department of Physics Shaoxing UniversityShaoxing312000China Department of Mathematics&Natural Sciences Prince Mohammad Bin Fahd UniversityAlkhobar31952Saudi Arabia Materials Modeling Lab Department of PhysicsIslamia College Peshawar25120KhyberPakhtunkhwaPakistan

In this work the structural,electronic and thermoelectric properties of YbMg_(2)X_(2)(X=P,As,Sb,Bi)zintl compounds were investigated comprehensively using first principles *** electronic properties were studied using PBE ggA,TB-mBJ and hybrid(YS-PBE0)*** the structural parameters of optimized structures are in harmonious agreement to the available *** band structure study illustrates that the titled materials manifest metallic and semi metallic nature using PBE and TB-mBJ potentials while they show wide band gap semiconducting behavior by following hybrid(YS-PBE0)*** density of states(TDOS)and partial density of states(PDOS)were also calculated to glimpse the contribution of orbitals of atoms in the formation of *** properties were studied by using BoltzTraP2 code employed to *** get enormous values of Seebeck coefficient(S),power factor(PF)and thermoelectric figure of merit(ZT)for all the samples YbMg_(2)X_(2)(X=P,As,Sb,Bi),Moreover,the overwhelming transport properties for the titled compounds indicate the optimum level of carriers’concentration which pinpoints these materials to be better thermoelectrics in the 1-2-2 zintl family.

关键词： Zintl compounds Hybrid functional Band structure Thermoelectrics rare earths

Optimizing building retrofit through data analytics:A study of multi-objective optimization and surr.g.te models derived from energy performance certificates

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Energy and Built Environment 2024年第6期5卷 889-899页

作者： g.r.Araújo ricardo gomes Paulo Ferrão M.glória gomes IN+ DEMTécnico LisboaUniversidade de lisboaAv Rovisco PaisLisboa1049-001Portugal CErIS DECivilTécnico LisboaUniversidade de LisboaAv Rovisco PaisLisboa1049-001Portugal

The building stock is responsible for a large share of global energy consumption and greenhouse gas emissions,therefore,it is critical to promote building retrofit to achieve the proposed carbon and energy neutrality *** of the policies implemented in recent years was the Energy Performance Certificate(EPC)policy,which proposes building stock benchmarking to identify buildings that require ***,research shows that these mechanisms fail to engage stakeholders in the retrofit process because it is widely seen as a mandatory and complex *** study makes use of an EPC database to integrate machine learning techniques with multi-objective optimization and develop an interface capable of(1)predicting a building’s,or household’s,energy needs;and(2)providing the user with optimum retrofit solutions,costs,and return on *** goal is to provide an open-source,easy-to-use interface that guides the user in the building retrofit *** energy and EPC prediction models show a coefficient of determination(r2)of 0.84 and 0.79,and the optimization results for one case study EPC with a 2000€budget limit inÉvora,Portugal,show decreases of up to 60%in energy needs and return on investments of up to 7 in 3 years.

关键词： Building energy performance Building optimization Multi-Objective surr.g.te models Building retrofitting

Challenges and opportunities in the production of magnesium parts by directed energy deposition processes

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Journal of Magnesium and Alloys 2024年第5期12卷 1663-1686页

作者： gürel Cam Ali günen Iskenderun Technical University Faculty of Engineering and Natural SciencesDepartment of Mechanical Engineering31200 Iskenderun-HatayTurkey Iskenderun Technical University Faculty of Engineering and Natural SciencesDepartment of Metallurgy and Materials Engineering31200 Iskenderun-HatayTurkey

Mg-alloys have gained considerable attention in recent years for their outstanding properties such as lightweight,high specific strength,and corrosion resistance,making them attractive for applications in medical,aerospace,automotive,and other transport ***,their widespread application is hindered by their low formability at room temperature due to limited slip *** Mg-alloys have low mechanical properties due to the presence of casting defects such as porosity and anisotropy in addition to the high *** casting methods benefit from established process optimization techniques for these problems,additive manufacturing methods are increasingly replacing casting methods in Mg alloys as they provide more precise control over the microstructure and allow specific grain orientations,potentially enabling easier optimization of anisotropy properties in certain *** metal additive manufacturing(MAM)technology also results in some manufacturing defects such as inhomogeneous microstructural evolution and porosity and additively manufactured Mg alloy parts exhibit lower properties than the wrought parts,they in general exhibit superior properties than the cast ***,MAM is a promising technique to produce Mg alloy *** energy deposition processes,particularly wire arc directed energy deposition(WA-DED),have emerged as an advantageous additive manufacturing(AM)technique for metallic materials including magnesium alloys,offering advantages such as high deposition rates,improved material efficiency,and reduced production costs compared to subtractive ***,the inherent challenges associated with magnesium,such as its high reactivity and susceptibility to oxidation,pose unique hurdles in the application of this *** review paper delves into the pr.g.ess made in the application of DED technology to Mg-alloys,its challenges,and ***,the predominant imperfections,notably inhomo

关键词： Additive manufacturing DED processes Arc-DED Wire arc additive manufacturing(WAAM) 3-D printing High deposition rate

recent research in mechanical properties of geopolymer-based ultrahigh-performance concrete:A review

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Defence Technology（防务技术） 2024年第2期32卷 67-88页

作者： g.Murali Division of research&Innovation Uttaranchal UniversityDehradun 248007India

Due to the growing need for sustainable and ultra-high-strength construction materials,scientists have created an innovative ultra-high-performance concrete called geopolymer based ultra-highperformance concrete(gUHPC).Besides,in the last few decades,there have been a lot of explosions and ballistic attacks around the world,which have killed many civilians and fighters in border *** this context,this article reviews the fresh state and mechanical properties of ***,the ingredients of gUHPC and fresh properties such as setting time and flowability are briefly ***,the review of compressive strength,flexure strength,tensile strength and modulus of elasticity of fibrous ***,the blast and projectile impact resistance performance was ***,the microstructural characteristics were reviewed using the scanning electron microscope and X-ray Powder *** review outcome reveals that the mechanical properties were increased when 30%silica fume was added to a higher dose of steel fibre to improve the microstructure of *** is hypothesized that the brittleness of gUHPC was mitigated by adding 1.5%steel fibre reinforcement,which played a role in the decrease of contact explosion cratering and *** the need for cement in gUHPC was a key factor in the review,indicating a promising potential for lowering carbon ***,gUHPC research is still in its early stages,so more study is required before its full potential can be utilized.

关键词： Mechanical properties Blast Projectile impact Fibre geopolymer Silica fume Alkaline activators

Assessing the biennial conference on science and technology(BICOST IX)2023 technical output on renewable energy,energy stor.g.,and green hydr.g.n in line with UN SDg commitments

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Clean Energy 2024年第2期8卷 85-88页

作者： S.K.B.D.Silva K.g.D.Piyumali rasitha Thilini Suranjana Perera K.D.K.g.Kaluarachchi Thilini Munagamage r.M.r.Ahammed C.S.P.Piyankar.g. Seyed Shahmy Veranja Karunaratne National Science and Technology Commission of Sri Lanka ColomboSri Lanka Sri Lanka Technological Campus(SLTC) PadukkaSri Lanka University of Peradeniya PeradeniyaSri Lanka

The development,production and utilization of renewable energy,energy stor.g. and green hydr.g.n and the associated technologies in Sri Lanka have great potential to contribute to the United Nations’Sustainable Development goals(SDgs).The island aims to achieve 70%electricity generation from renewable energy sources by 2030(within the target of 40%utilization of renewable energy sources for the entire energy generation of the country by 2030).The power sector has to invest US$11 billion from 2023 to 2030 to contribute to reaching this *** commentary aims to provide a critical perspective on the recommendations of the report from the National Science and Technology Commission’s 9th biennial conference in 2023 on science and technology,the sub-thematic technical report on clean energy,energy stor.g. and green hydr.g.n in line with the SDgs in the Sri Lankan *** technical report provides insightful recommendations for Sri Lanka’s energy sector under three main sections:renewable energy,energy stor.g. and green ***,it explores the potential of various renewable energy sources,energy stor.g. systems and green hydr.g.n as sustainable solutions to address the country’s energy challenges while emphasizing the spillover effects of them,which could contribute to the enterprise’s job creation and uplift the economy.

关键词： renewable energy energy stor.g. green hydr.g.n sustainable development goals Sri Lanka social economic environmental sustainable affordable

BaTiO3 solid solutions co-doped with gd3+ and Eu3+:Synthesis,structural evolution and dielectric properties

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Journal of rare Earths 2024年第10期42卷 1920-1926页

作者： r.Martínez-López M.Pérez-Labra J.A.romero-Serrano F.r.Barrientos-Hernández M.reyes-Pérez M.I.Valenzuela-Carrillo g.Urbano-reyes V.E.reyes-Cruz g.I.Dávila-Pulido Academic Area of Earth Sciences and Materials Autonomous University of Hidalgo State Metallurgy and Materials Department ESIQIE-IPNUPALM Autonomous University of Coahuila Boulevard Adolfo López Mateos S/n

In this paper,the synthesis,structural evolution,and dielectric properties of BaTiO3solid solutions codoped with rare earth elements(gd3+and Eu3+) prepared using the solid-state reaction method are *** pure precursor powders of BaCl3,TiO2,gd2O3,and Eu2O3were mixed in stoichiometric proportions,ground in an agate mortar before being uniaxially pressed at 250 MPa and sintered at 1300℃ in air atmosphere for 6 h to obtain Ba1-3xgd2xTi1-3xEu4xO3（x=0,0.0015,0.01 and0.1）.X-ray diffraction（XrD） and rietveld's refinement results reveal the crystal phase ferroelectric tetr.g.nal BaTiO3for the samples with x=0,0.0015 and 0.01, as well as a consistent increment in the lattice parameters caused by the *** solubility limit of gd3+and Eu3+in the BaTiO3structure is reached for the sample with x>0.01,and the orthorhombic Eu2TiO5and monoclinic BaTi2O5secondary phases were *** raman results show the characteristic peaks of ferroelectric tetr.g.nal BaTiO3around 716 cm-1（LO of A1 symmetry）,515 cm-1（TO of A1 symmetry）,and 305 cm-1（B1）.The maximum relative permittivity measured at 1 kHz was recorded to be 6151.8 for the sample with x=0.0015,and a decrease in the Curie temperature to 105℃ with respect to the undoped sample was *** punctual microanalysis for the samples with x=0.0015,0.01,and 0.1 reveals grains composed of Ba,Ti,O,gd,and Eu homogeneously distributed in the *** Ba/Ti ratios for samples with x=0.0015,0.01 and 0.1 are 2.86,2.91,and 0.68,respectively,indicating substitution at the Ti site for samples with x=0.0015 and 0.01 and a substitution at the Ba site for the sample with x=0.1.

关键词： BaTiO3 Doping Europium gadolinium rare earths Synthesis

Analysis and Optimization of Operational and Pollutant Attributes of Diesel Engine with CNT-Infused Orange Peel Biodiesel-Diesel Blend Fuel

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Journal of Thermal Science 2024年第2期33卷 761-778页

作者： ranjeet rAI r.r.SAHOO Mechanical Engineering Department GLA UniversityMathura281406India Mechanical Engineering Department IIT(BHU)Varanasi221005India

The current study is performed to find sustainable solutions for the future of transportation and environmental *** conventional methods and experimental design table(L16 Orthogonal Array)techniques have been employed to examine and optimize a diesel-powered engine's operational and pollutant *** L16 Orthogonal Array is obtained through Taguchi's experimental design approach using Minitab 16 *** experimental design incorporated three control variables,namely engine speed,fuel type,and engine load,each with four *** operational parameters,namely brake thermal efficiency(BTE)and brake specific fuel consumption(BSFC),as well as the emission characteristics,including hydrocarbon(HC),carbon monoxide(CO),nitr.g.n oxide(NO),and smoke emissions,were acquired using the L16 orthogonal array(OA) and subsequently *** utilization of methodologies such as signal-to-noise(S/N) ratio and grey analysis was employed to determine the optimal operational state of the engine to achieve maximum performance while minimizing *** engine's ideal state of operation,in terms of BTE and BSFC,was determined to be at 75% engine load,1000 r/min engine speed,and using 10^(-4)(in vol) carbon nanotube incorporated 20% orange peel biodiesel(OPB20CNT100) blended fuel(A3-B1-C4).The study indicated that engine load significantly influenced BTE and BSFC,with 84.05% and 87.79% contribution factors,*** 25% engine load,1000 r/min,and OPB20CNT100 fuel(A1-B1-C4) CO,smoke,NO,and HC emissions were the *** load affects emissions the *** BSFC increased 3.10% and NO emissions 1.77%.BTE,CO,smoke,and HC emissions decreased by 1.9%,12.29%,47.05%,and 47.22%,respectively,at optimal operating conditions concerning diesel *** study shows that Taguchi-grey's experimental design optimizes diesel engine operational and pollutant *** outcomes revealed that orange peel biodiesel infused with CNT can replace diesel fuel in a

关键词： Taguchi-grey method OPB20CNT100 transesterification S/N ratio grg HC CO and NO

Atomistic Investigation of Shock-Induced Amorphization within Micro-shear Bands in Hexagonal Close-Packed Titanium

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Acta Metallurgica Sinica(English Letters) 2024年第9期37卷 1590-1600页

作者： Z.C.Meng K.g.Wang T.Ali D.Li C.g.Bai D.S.Xu S.J.Li A.H.Feng g.J.Cao J.H.Yao Q.B.Fan H.Wang r.Yang Institute of Metal research Chinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China Interdisciplinary Centre for Additive Manufacturing(ICAM) School of Materials and ChemistryUniversity of Shanghai for Science and TechnologyShanghai 200093China School of Materials Science and Engineering Tongji UniversityShanghai 201804China Key Laboratory for Light-Weight Materials Nanjing Tech UniversityNanjing 210009China National Key Laboratory of Science and Technology on Materials Under Shock and Impact School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Institute of Technology Chongqing Innovation Center Chongqing 401135China

The mechanical response of a single crystal titanium sample against(0001)α surface impact was investigated using molecular dynamics ***,non-uniform plastic deformation was observed in the *** high strain rates,amorphization occurred near the edge of the contact r.g.on where severe shear strain induced a large number of stacking faults(SFs)and *** contrast,the central part of the contact r.g.on underwent less deformation with significantly fewer ***,instead of amorphization by consuming SFs and dislocations,there was a gradual increase in the density of dislocations and SFs during the process of *** local amorphous r.g.ons eventually grew into shear bands.

关键词： Shock compression Amorphization Shear band Titanium Molecular dynamics

Carbon dioxide enrichment affected flower numbers transiently and increased successful post-pollination development stably but without altering final acorn production in mature pedunculate oak (Quercus robur L.)

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Journal of Forestry research 2024年第4期35卷 1-12页

作者： ryan McClory richard H.Ellis Martin Lukac Jo Clark Carolina Mayoral Kris M.Hart Andrew r.g.Plackett A.rob MacKenzie School of Agriculture Policy and DevelopmentUniversity of ReadingAgricultureEarley GateWhiteknights RoadPO Box 237Reading RG66EUUK Faculty of Forestry and Wood Sciences Czech University of Life Sciences PraguePrague 165000Czechia Future Trees Trust Harwell Innovation CentreBuilding 173Curie AvenueHarwellOxford OX110QGUK Birmingham Institute of Forest research University of BirminghamEdgbastonBirmingham B152TTUK School of Biosciences University of BirminghamEdgbastonBirmingham B152TTUK School of geography Earth and Environmental SciencesUniversity of BirminghamEdgbastonBirmingham B152TTUK

Acorn production in oak(Quercus spp.)shows considerable inter-annual variation,known as masting,which provides a natural defence against seed predators but a highly-variable supply of acorns for uses such as in commercial tree planting each *** emissions of greenhouse gases have been very widely reported to influence plant growth and seed or fruit size and quantity via the‘fertilisation effect’that leads to enhanced *** examine if acorn production in mature woodland communities will be affected by further increase in CO_(2),the contents of litter traps from a Free Air Carbon Enrichment(FACE)experiment in deciduous woodland in central England were analysed for numbers of flowers and acorns of pedunculate oak(Quercus robur L.)at different stages of development and their predation levels under ambient and elevated CO_(2) ***-annual variation in acorn numbers was considerable and cyclical between 2015 and 2021,with the greatest numbers of mature acorns in 2015,2017 and 2020 but almost none in *** numbers of flowers,enlarged cups,immature acorns,empty acorn cups,and galls in the litter traps also varied amongst years;comparatively high numbers of enlarged cups were recorded in 2018,suggesting *** at this site is a fruit maturation masting species(i.e.,the extent of abortion of pollinated flowers during acorn development affects mature acorn numbers greatly).raising the atmospheric CO_(2) concentration by 150μL L^(−1),from early 2017,increased the numbers of immature acorns,and all acorn evidence(empty cups+immature acorns+mature acorns)detected in the litter traps compared to ambient controls by 2021,but did not consistently affect the numbers of flowers,enlarged cups,empty cups,or mature *** number of flowers in the elevated CO_(2) plots’litter traps was greater in 2018 than 2017,one year after CO_(2) enrichment began,whereas numbers declined in ambient *** with CO_(2) also increased the number o

关键词： Quercus robur L. Acorns Masting Pedunculate oak Carbon dioxide