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

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

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Peculiarities of Ethylene Polymerization Reactions with Bis(imino)pyridyl Complexes of CoCl_(2) and FeCl_(2)

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Chinese Journal of Polymer Science 2024年第4期42卷 492-500页

作者： Laura A.Rishina Yury V.Kissin Svetlana S.Lalayan Artem A.Antonov Vadim g.Krasheninnikov Alexander A.gulin N.N.Semenov Federal Research Center for Chemical Physics Russian Academy of Sciences4 Kosygin St.Moscow119991Russia Department of Chemistry and Chemical Biology RutgersThe State University of New Jersey123 Bevier Rd.PiscatawayNJ08854USA Boreskov Institute of Catalysis Russian Academy of Sciences5 Lavrentieva Prosp.Novosibirsk630090Russia

The article describes ethylene polymerization reactions with transition metal catalysts based on complexes of CoCl_(2) and FeCl_(2) with an N,N,N-tridentate ligand 2,6-bis[1-(2,6-dimethylphenylimino)ethyl]pyridine. The complexes are converted into polymerization catalysts by reacting them either with polymethylalumoxane (MAO) or with a combination of Al(C2H5)2Cl and Mg(C4H9)2 at an [Al]:[Mg] ratio of ~3. Both MAO-activated complexes readily polymerize ethylene at 35 ℃ with the formation of linear, low molecular weight polymers with a narrow molecular weight distribution. The same complexes, when activated with the Al(C2H5)2Cl-Mg(C4H9)2 combination, form multi-center catalysts and generate polyethylenes with a broad molecular weight distribution.

关键词： Ethylene polymerization Bis(imino)pyridyl complexes of CoCl_(2)and FeCl_(2) Molecular-weight distribution Polymer chain structure

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Exact solutions for magnetohydrodynamic nanofluids flow and heat transfer over a permeable axisymmetric radially stretching/shrinking sheet

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Chinese Physics B 2024年第2期33卷 108-114页

作者： U.S.Mahabaleshwar g.P.Vanitha L.M.Pérez Emad H.Aly I.Pop Department of Studies in Mathematics Davangere UniversityShivagangothriDavangereIndia Departamento de F´ısica FACIUniversidad de Tarapac´aCasilla 7DAricaChile Department of Mathematics Faculty of EducationAin Shams UniversityRoxyCairoEgypt Department of Mathematics Babes-Bolyai University400084 Cluj-NapocaRomania

We report on the magnetohydrodynamic impact on the axisymmetric flow of Al_(2)O_(3)/Cu nanoparticles suspended in H_(2)O past a stretched/shrinked *** the use of partial differential equations and the corresponding thermophysical characteristics of nanoparticles,the physical flow process is *** resultant nonlinear system of partial differential equations is converted into a system of ordinary differential equations using the suitable similarity *** transformed differential equations are solved *** of the magnetic parameter,solid volume fraction and stretching/shrinking parameter on momentum and temperature distribution have been analyzed and interpreted *** skin friction and Nusselt number were also *** addition,existence of dual solution was deduced for the shrinking sheet and unique solution for the stretching ***,Al_(2)O_(3)/H_(2)O nanofluid flow has better thermal conductivity on comparing with Cu/H_(2)O ***,it was found that the first solutions of the stream are stable and physically realizable,whereas those of the second ones are unstable.

关键词： magnetohydrodynamic nanofluid stretching/shrinking sheet axisymmetric flow analytical solution suction/injection

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Exploring one material for dual applications:A red-emitting Mg_(2)geO_(4):Eu^(3+)nanophosphor for future generation energy efficient WLEDs and dosimetric applications

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Journal of Rare Earths 2024年第10期42卷 1835-1845页

作者： Akshay Arjun g.P.Darshan S.C.Sharma H.Nagabhushana D.V.Sunitha H.B.Premkumar Department of Physics Faculty of Mathematical and Physical SciencesM.S.Ramaiah University of Applied SciencesBengaluru560054India Honorary Professor of Law and Forensic Materials Jain UniversityBengaluru560069India C.N.R.Rao Centre for Advanced Materials Tumkur UniversityTumkur572103India School of Applied Sciences(Physics) REVA UniversityBengaluru560064India

The envisaged design and developme nt of individual mate rials to excavate a broader spectrum of desired properties and offer multiple applications are highly *** this in mind,a series of forsterite-structured Mg_(2)geO_(4):Eu^(3+)(1 mol%-9 mol%)nanophosphors was synthesized via a solution combustion method using oxalyl dihydrazide as a *** X-ray diffraction patterns confirm the orthorhombic crystal system with a Puma space *** results clearly show irregularly shaped cluster-like structures with aggregation of the *** diffuse reflectance spectra,the optical energy band gap of the Mg_2geO_4:Eu^(3+)(1 mol%-9 mol%)nanophosphors was estimated and obtained to be~4.12-4.32 *** photoluminescence emission spectra exhibit intense peaks at~579,589,610,661,and 707 nm,which are due to characteristic~5D_(0)→~7F_(0),~5D_(0)→~7F_(1),~5Do→~7F_(2),~5D_(0)→~7F_(3)and~5D_(0)→~7F_(4)transitions of Eu^(3+)ions,*** Commission International de L'Eclairage color coordinates are gradually tuned from pale red(0.5980,0.4012)to a pure red(0.6385,0.3611)*** glow peaks showcase excellent super-linear response at low doses ofγ-irradiations,indicating that the prepared phosphor can be used in thermoluminescent personal dosimetry which is a biological tissue *** aforementioned results demonstrate that the prepared Mg_2geO_4:Eu^(3+)(1 mol%-9 mol%)nanophosphors are considered an excellent candidate for dual applications,i.e.,red component in future generation white-light-emitting diodes(WLEDs)and personal dosimetric applications.

关键词： Nanophosphors Photoluminescence Thermoluminescence Dosimetry Photometric properties Rare earths

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The Circular Current Loop as a Model of Fundamental Particles

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Journal of High Energy Physics, gravitation and Cosmology 2024年第1期10卷 303-328页

作者： günther Landvogt Hamburg Germany

The presented circular current loop model reveals that charged fundamental particles such as the electron consist essentially of electric and magnetic energy. The magnetic properties have the same order of magnitude as the electric ones. The electromagnetic field energy is the origin of the inertial mass. The Higgs boson, existing or not, is not needed to “explain” particle mass. The magnetic moment of fundamental particles is not anomalous! The “anomaly” indicates the existence of a small additional amount of kinetic energy. Thus, fundamental particles are not purely field-like such as photons and not (essentially) mass-like such as atoms, they represent a special kind of matter in between. Their kinetic energy is obviously not due to any relativistic effect but is related to an independent physical law that provides, together with the magnetic energy, the angular momentum exactly to be ħ/2. Fundamental particles are (at least) two-dimensional. In the simplest case their core consists of two concentric, nearly identical current loops. Their relative design details, the “anomaly” factor, and the rotational velocity of the uniformly distributed elementary charge follow from the stability condition, i.e. electric and magnetic force balance, and do not depend on the particle’s rest mass! Fundamental particles are objects of classical physics. Their magnetic forces are the true origin of the weak and strong nuclear interactions. For their explanation bosons and gluons are not needed.

关键词： Electric Energy Magnetic Energy Rotational Kinetic Energy Strong and Weak Nuclear Forces

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Small mammal community composition impacts bank vole (Clethrionomys glareolus) population dynamics and associated seroprevalence of Puumala orthohantavirus

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Integrative Zoology 2024年第1期19卷 52-65页

作者： Felicitas Maria BUJNOCH Daniela REIL Stephan DREWES Ulrike MROSENFELD Rainer g.ULRICH Jens JACOB Christian IMHOLT Julius Kühn-Institute Federal Research Centre for Cultivated PlantsInstitute for Epidemiology and Pathogen DiagnosticsRodent ResearchMünsterGermany University of Münster Institute for Evolution and BiodiversityMünsterGermany Friedrich-Loeffler-Institut Federal Research Institute for Animal HealthInstitute of Novel and Emerging Infectious DiseasesGreifswald-Insel RiemsGermany

Rodents are important reservoirs for zoonotic pathogens that cause diseases in *** is hypoth-esized to be closely related to pathogen prevalence through multiple direct and indirect *** example,the presence of non-host species can reduce contact rates of the main reservoir host and thus reduce the risk of transmission(“dilution effect”).In addition,an overlap in ecological niches between two species could lead to increased interspecific competition,potentially limiting host densities and reducing density-dependent pathogen transmission *** this study,we investigated the relative impact of population-level regulation of direct and indirect drivers of the prevalence of Puumala orthohantavirus(PUUV)in bank voles(Clethrionomys glareolus)during years with high *** compiled data on small mammal community composition from four regions in germany between 2010 and *** equation modeling revealed a strong seasonality in PUUV control mechanisms in bank *** abundance of shrews tended to have a negative relationship with host abundance,and host abundance positively influenced PUUV seroprevalence,while at the same time increasing the abundance of competing non-hosts like the wood mouse(Apodemus sylvaticus)and the yellow-neckedfield mouse(Apodemusflavicollis)were associated with reduced PUUV seroprevalence in the *** results indicate that for PUUV in bank voles,dilution is associated with increased interspecific *** pressures leading to the decline of Apodemus *** a specific habitat could lead to the amplification of mechanisms promoting PUUV transmission within the host populations.

关键词： bank vole biodiversity Puumala orthohantavirus small mammals

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Dynamics and cytokinic regulation of immune cell infiltration in genetically engineered mouse models of pancreatic cancer dictate the sensitivity to immunotherapy

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Cancer Communications 2024年第1期44卷 178-182页

作者： Okan Safak Shenghan Wang Carmen Mota Reyes Ibrahim Halil gürcinar Sergey Tokalov Nedim Can Cevik Kivanc görgülü Bengi Su Yilmaz Emre Erdogan Linhan Ye Qiaolin Li Elif Arik Sever SamedÖzer güldal Süyen Helmut Friess güralp Onur Ceyhan Rouzanna Istvanffy Hana Algül Ihsan Ekin Demir Department of Surgery Klinikum rechts der IsarTechnical University of MunichSchool of MedicineMunichBavariaGermany Department of general Surgery HPB-UnitSchool of MedicineAcibadem Mehmet Ali Aydinlar UniversityIstanbulIstanbulTurkey Comprehensive Cancer Center München Klinikum rechts der IsarTechnical University of MunichSchool of MedicineMunichBavariaGermany Department of Hematology Oncology and Tumor ImmunologyCharitéUniversity Medicine BerlinCampus Virchow ClinicBerlinBerlinGermany graduate School of Health Sciences Acibadem Mehmet Ali Aydinlar UniversityIstanbulIstanbulTurkey Department of Physiology Acibadem Mehmet Ali Aydinlar UniversityIstanbulIstanbulTurkey Else Kröner Clinician Scientist Professorship for Translational Pancreatic Surgery MunichGermany Neural Influences in Cancer(NIC)International Research Consortium MunichGermany

Dear Editor,Targeting the immune compartment in pancreatic duc-tal adenocarcinoma(PDAC)holds promise for prognostic improvement,yet our knowledge on the spatial and tem-poral dynamics and the molecular modulators of t... 详细信息

关键词： immune adenocarcinoma immunotherapy

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Applications of Soft Computing Methods in Backbreak Assessment in Surface Mines: A Comprehensive Review

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Computer Modeling in Engineering & Sciences 2024年第9期140卷 2207-2238页

作者： Mojtaba Yari Manoj Khandelwal Payam Abbasi Evangelos I.Koutras Danial Jahed Armaghani Panagiotis g.Asteris Department of Mining Engineering Faculty of EngineeringMalayer UniversityMalayer***Iran Institute of Innovation Science and SustainabilityFederation University AustraliaBallaratVIC 3350Australia Marane Olia Ornamental Stone Mine Sanandaj***Iran Computational Mechanics Laboratory School of Pedagogical and Technological EducationAthens15122Greece School of Civil and Environmental Engineering University of Technology SydneySydneyNSW 2007Australia

geo-engineering problems are known for their complexity and high uncertainty levels,requiring precise defini-tions,past experiences,logical reasoning,mathematical analysis,and practical insight to address them *** Computing(SC)methods have gained popularity in engineering disciplines such as mining and civil engineering due to computer hardware and machine learning *** traditional hard computing approaches,SC models use soft values and fuzzy sets to navigate uncertain *** study focuses on the application of SC methods to predict backbreak,a common issue in blasting operations within mining and civil ***,which refers to the unintended fracturing of rock beyond the desired blast perimeter,can significantly impact project timelines and *** study aims to explore how SC methods can be effectively employed to anticipate and mitigate the undesirable consequences of blasting operations,specifically focusing on backbreak *** research explores the complexities of backbreak prediction and highlights the potential benefits of utilizing SC methods to address this challenging issue in geo-engineering projects.

关键词： Backbreak blasting soft computing methods prediction theory-guided machine learning

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Microscopic shell-model description of irrotational-flow dynamics in^(102)Pd

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Chinese Physics C 2024年第1期48卷 82-93页

作者： H.g.ganev Joint Institute for Nuclear Research DubnaRussia Institute of Mechanics Bulgarian Academy of SciencesSofiaBulgaria

The structure of the low-lying collective excitations in 102Pd is examined within the recently proposed microscopic shell-model version of the Bohr-Mottelson(BM)collective model.A good description of the excitation energies of the lowest ground,γ,andβbands,as well as the staggering function between the collective states of theγband and some other energy-dependent quantities,is *** low-energy intraband and interband quadrupole dynamics is reasonably well described within the present proton-neutron sympletic based shell-model approach without the use of an effective charge and compared with the predictions of nuclear structure *** obtained results of the present study shed light on the question of the existence of irrotational-flow type quadrupole dynamics,which lies on the ground of the original BM model of quantized vibrations and surface-wave rotations in atomic nuclei.

关键词： shell-model version of the Bohr-Mottelson model irrotational-flow dynamics proton-neutron symplectic model Sp(12,R)dynamical algebra

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Plasma electrolytic formation and characterization of MnWO_(4)/WO_(3) film heterostructures

ChemPhysMater

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ChemPhysMater 2024年第3期3卷 293-302页

作者： M.S.Vasilyeva I.V.Lukiyanchuk Yu.B.Budnikova V.g.Kuryavyi D.H.Shlyk g.A.Zverev Department of Chemistry and Materials of Institute of High Technology and Advanced Materials Far Eastern Federal UniversityFEFU CampusVladivostok 690922Russia Institute of Chemistry Far Eastern BranchRussian Academy of SciencesVladivostok 690022Russia

MnWO_(4)/WO_(3) p-n heterojunction films were fabricated using a one-step method consisting of the plasma electrolytic oxidation(PEO)of titanium in homogeneous electrolytes containing paratungstate ions and stable watersoluble EDTA-chelated *** influences of the formation current density and W:Mn molar ratio of the electrolyte,which was varied from 1:2 to 2:1,on the composition,morphology,and optical and photocatalytic properties of the resulting coatings were studied.X-ray diffraction analysis,scanning electron microscopy,energy dispersive X-ray analysis,Raman spectroscopy,and ultraviolet diffuse reflectance spectroscopy were used to characterize the formed *** of the W:Mn ratio of the electrolyte,the coatings contained crystalline t-WO_(3) and m-MnWO_(4).Depending on the formation conditions,the optical band gap energies of the composites varied from 2.63 to 3.01 *** largest absorption red shift and lowest band gap energy were observed in the film composite formed in an electrolyte with W:Mn=2:1,at a current density of 0.2 A cm^(−2).Composites obtained in electrolytes with W:Mn ratios of 2:1 and 1:1 exhibited photocatalytic activity in the degradation of rhodamine C and methyl orange dyes in the presence of 10 mmol L^(–1) H2O_(2) under ultraviolet and visible light *** role of hydrogen peroxide in this dye degradation on PEO-coated composites under light irradiation is discussed.

关键词： Plasma electrolytic oxidation Manganese tungstate Tungsten oxide Titanium Optical properties p-n heterojunction

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