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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

Dual Additives for Stabilizing Li Deposition and SEI Formation in Anode-Free Li-Metal Batteries

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Energy & Environmental Materials 2024年第3期7卷 84-92页

作者： Baolin Wu Chunguang Chen Dmitri L.Danilov Zhiqiang Chen Ming Jiang rüdiger-A.Eichel Peter h.L.Notten Forschungszentrum Jülich(IEK-9) D-52425Jülich Germany rWTh Aachen University D-52074Aachen Germany LNM Institute of MechanicsChinese Academy of SciencesBeijing 100190China School of Engineering Sciences University of Chinese Academy of SciencesBeijing 100049China Eindhoven University of Technology P.O.Box 5135600 MBEindhoven The Netherlands School of Electronics and Information Institute of Carbon Neutrality and New EnergyHangzhou Dianzi UniversityHangzhou 310018China University of Technology Sydney BroadwaySydney NSW 2007Australia

Anode-free Li-metal batteries are of significant interest to energy storage industries due to their intrinsically high ***,the accumulative Li dendrites and dead Li continuously consume active Li during *** results in a short lifetime and low Coulombic efficiency of anode-free Li-metal *** effective electrolyte additives can improve the Li deposition homogeneity and solid electrolyte interphase(SEI)stability for anode-free Li-metal ***,we reveal that introducing dual additives,composed of LiAsF6 and fluoroethylene carbonate,into a low-cost commercial carbonate electrolyte will boost the cycle life and average Coulombic efficiency of NMC‖Cu anode-free Li-metal *** NMC‖Cu anode-free Li-metal batteries with the dual additives exhibit a capacity retention of about 75%after 50 cycles,much higher than those with bare electrolytes(35%).The average Coulombic efficiency of the NMC‖Cu anode-free Li-metal batteries with additives can maintain 98.3%over 100 *** contrast,the average Coulombic efficiency without additives rapidly decline to 97%after only 50 *** situ raman measurements reveal that the prepared dual additives facilitate denser and smoother Li morphology during Li *** dual additives significantly suppress the Li dendrite growth,enabling stable SEI formation on anode and cathode *** results provide a broad view of developing low-cost and high-effective functional electrolytes for high-energy and long-life anode-free Li-metal batteries.

关键词： anode-free lithium metal battery dual additives in situ raman Li growth SEI formation

Cr-induced fusion reactions to synthesize superheavy elements

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Nuclear Science and Techniques 2024年第5期35卷 122-130页

作者： S.Madhu h.C.Manjunatha N.Sowmya B.M.rajesh L.Seenappa r.S.Susheela Department of Physics R V College of EngineeringBangalore 560074India Visvesvaraya Technological University BelagaviKarnataka 590018India Department of Physics Government First Grade CollegeSrinivasapurKarnataka 563135India Department of Physics Government First Grade CollegeDevanahallyKarnataka 562110India Department of Physics Government First Grade CollegeMulbagalKarnataka 563131India Department of Physics Government First Grade collegeNanjangudOoty RoadMysore 571301India

We investigated ^(50,52-54)Cr-induced fusion reactions for the synthesis of the superheavy element in the 104≤Z≤122 *** cross sections produced in this investigation using ^(54)Cr projectiles were compared with those obtained in prior *** estimated cross sections from this analysis are consistent with the findings of prior *** the current study,the predicted cross section was found to be 42fb at 236 MeV for ^(53)Cr+^(243)Am,23.2 fb at 236 MeV for ^(54)Cr+^(247)Cm,95.6 fb at 240 MeV for ^(53)Cr+248Bk,and 1.33 fb at 242 MeV for ^(53)Cr+***,these projected cross sections with excitation energy and beam energy will be useful in future Cr-induced fusion reaction investigations.

关键词： Fusion cross sections Compound nucleus formation probability Survival probability Evaporation residue cross sections

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 streng.h,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 progress 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

Optimizing building retrofit through data analytics:A study of multi-objective optimization and surrogate 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 surrogate models Building retrofitting

Oil Palm Fiber hybrid Composites: A recent review

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Journal of renewable Materials 2024年第10期12卷 1661-1689页

作者： h.A.Aisyah E.hishamuddin A.W.Noorshamsiana Z.Ibrahim r.A.Ilyas Biomass Technology Unit Engineering and Processing DivisionMalaysian Palm Oil Board(MPOB)6Persiaran InstitusiBandar Baru BangiKajangSelangor43000Malaysia Department of Chemical Engineering Faculty of Chemical and Energy EngineeringUniversiti Teknologi MalaysiaJohor81310Malaysia

Composite materials from oil palmﬁber enhance sustainability by utilizing renewable resources,reducing depen-dence on non-renewable materials,and lessening environmental *** their mechanical and dimen-sional stability limitations,oil palmﬁber-based polymer composites offer signiﬁcant advantages,such as natural abundance,potential weight reduction,and cost-effectiveness due to local availability and *** growing interest in oil palm hybrid composites,made from blending differentﬁbers,is due to their custo-mizable mechanical and physical *** is one of the most effective methods to reinforce and improve the performance of oil palm-derived composite *** review investigates the structural qualities of hybrid composites made from oil palmﬁbers,their suitability for diverse applications,and recent advancements in theﬁ*** focusing on the availability,properties,applications,challenges,and future direc-tions of oil palmﬁber hybrid composites,this review highlights the potential of these materials to enhance mechanical and functional properties,thereby contributing to sustainable development and innovation in com-posite materials.

关键词： Oil palmﬁber empty fruit bunch mesocarpﬁber hybrid composite

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-streng.h construction materials,scientists have created an innovative ultra-high-performance concrete called geopolymer based ultra-highperformance concrete(g.hPC).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 g.hPC and fresh properties such as setting time and flowability are briefly ***,the review of compressive streng.h,flexure streng.h,tensile streng.h 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 g.hPC 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 g.hPC was a key factor in the review,indicating a promising potential for lowering carbon ***,g.hPC 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

Spatiotemporal dynamics in butterfly hybrid zones

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Insect Science 2024年第2期31卷 328-353页

作者： Ananda r.Pereira Martins Natalie B.Warren W.Owen McMillan rowan D.h.Barrett redpath Museum McGill University859 Sherbrooke Street WestMontrealQuebecCanada Smithsonian Tropical researchInstitute GamboaPanama CityPanama

Evaluating whether hybrid zones are stable or mobile can provide novelinsights for evolution and conservation biology. Butterflies exhibit high sensitivity to envi-ronmental changes and represent an important model system for the study of hybrid zoneorigins and maintenance. here, we review the literature exploring butterfly hybrid zones,with a special focus on their spatiotemporal dynamics and the potential mechanisms thatcould lead to their movement or stability. We then compare different lines of evidenceused to investigate hybrid zone dynamics and discuss the streng.hs and weaknesses ofeach approach. Our goal with this review is to reveal general conditions associated withthe stability or mobility of butterfly hybrid zones by synthesizing evidence obtained us-ing different types of data sampled across multiple regions and spatial scales. Finally, wediscuss spatiotemporal dynamics in the context of a speciation/divergence continuum, therelevance of hybrid zones for conservation biology, and recommend key topics for futureinvestigation.

关键词： butterflies human impacts hybrid zones movement spatiotemporaldynamics stability

Assessing the biennial conference on science and technology(BICOST IX)2023 technical output on renewable energy,energy storage,and green hydrogen 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.Piyankarage 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 storage and green hydrogen 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 storage and green hydrogen 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 storage and green ***,it explores the potential of various renewable energy sources,energy storage systems and green hydrogen 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 storage green hydrogen sustainable development goals Sri Lanka social economic environmental sustainable affordable