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DFT investigation of half-metallic ferromagnetic rare earth based spinels mgHo_(2)Z_(4)(Z=S,Se)

Journal of Rare Earths 2024年第1期42卷 121-128,I0005页

作者： maiza zanib mumtaz manzoor n.A.noor m.Waqas Iqbal mazia Asghar H.H.Hegazy A.Laref Department of Physics Riphah International UniversityLahore CampusPakistan Research Centre for Advanced materials Science King Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics and Astronomy College of ScienceKing Saud UniversityRiyadh11451Saudi Arabia

Half-metallic ferromagnetism,mechanical as well as thermoelectric properties for rare earth-based spinels mgHo_(2)Z_(4)(Z=S,Se)were investigated using density functional theory(DFT).Structural optimization was done with Perdew-Burke-Ehrenzorf(PBE)sol-generalized gradient approximation(GGA)to calculate the lattice constant of both spinels comparable to experimental *** addition,Born stability criteria and negative formation energy show that our studied spinels are also structurally and dynamically stable in the cubic *** ferromagnetic(Fm)state stability,we also calculated the energy differences among Fm,antiferromagnetic(AFm),and non-magnetic(nm)***,Curie temperatures of ferromagnetic phases were also *** used Trans-Blaha improved BeckeJohnson(TB-mBJ)potential functional for electronics as well as magnetic characteristics,which lead to the consistent explanation of half-metallic ferromagnetism,representing the whole band-occupancy in material with exact detail of density of states(DOS).The stable Fm state was examined in spinels due to the exchange splitting of Ho cation consisting of p-d hybridizations compatible with the result achieved for electronics band structure and ***,spin magnetic moment was explained in terms of anion,cation,and sharing charge on studied *** addition,the calculated thermoelectric properties clearly show that operation range of these systems may be utilized by future experimental works for identifying the potential applications of these systems.

关键词： Ho-based spinels DFT simulations mechanical parameters Electronic properties Hm ferromagnetism Figure of merit

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The impact of maternal immune activation on the morphology and electrophysiological properties of postnatally-born neurons in the offspring

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neural Regeneration Research 2024年第2期19卷 399-400页

作者： Emilio J.Galván Angelica Zepeda Departamento de Farmacobiología CINVESTAV Unidad Sur CdMxMéxico、Centro de Investigaciones sobre el EnvejecimientoCIE-CinvestavCdMxMéxico Departamento de medicina Genómica y Toxicología Ambiental Instituto de Investigaciones BiomédicasUniversidad Nacional Autónoma de MéxicoUNAMCdMxMéxico

Pregnancy comes with a combination of physical changes and physiological immunosuppression that increases the susceptibility of women to pathogens and in turn,rises the prevalence of infectious diseases.

关键词： prevalence activation impact

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Implications of regional identity for neural stem and progenitor cell transplantation in the injured or diseased nervous system

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neural Regeneration Research 2024年第4期19卷 715-716页

作者： Prakruthi Amar Kumar Jennifer n.Dulin Department of Biology Texas A&M UniversityCollege Station Texas A&m Institute for neuroscience Texas A&M UniversityCollege Station

neural stem and progenitor cell(nSPC)transpla ntation has emerged as a promising therapeutic strategy for replacing lost neuronal populations and repairing damaged neural circuits following nervous system injury and disease.A great deal of experimental work has investigated the biology of nSPC grafting in preclinical animal models;more recently.

关键词： neural system injured

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Targeting muscle to treat Charcot-marie-Tooth disease

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neural Regeneration Research 2024年第8期19卷 1653-1654页

作者： David Villarroel-Campos James n.Sleigh Department of neuromuscular Diseases and UCL Queen Square motor neuron Disease Centre UCL Queen Square Institute of NeurologyUniversity College LondonLondonUK UK Dementia Research Institute University College LondonLondonUK

Charcot-marie-Tooth disease(CmT)is a hereditary peripheral neuropathy causing muscle weakness/wasting and sensory dysfunction predominantly in limb *** patients display gait abnormalities,foot deformities,loss of sens... 详细信息

关键词： marie sensation neuropathy

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morphology of crater and caldera lakes in the Far Eastern region of Russia and the features of their development

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Journal of mountain Science 2024年第4期21卷 1246-1258页

作者： Dmitrii n.KOZLOV Ekaterina V.LEBEDEVA Institute of marine Geology and Geophysics Far Eastern Branch of the Russian Academy of SciencesYuzhno-Sakhalinsk 693022Russia Institute of Geography Russian Academy of SciencesMoscow 119017Russia

Volcanic lakes in the Kuril-Kamchatka region are difficult to access,and for this reason,they remain poorly studied,with only scattered and brief data *** authors have conducted a study of 10 lake basins using modern digital echolocation survey techniques and have also compiled and summarized published data for 15 lakes in the region,calculating their main morphometric *** has been established that many caldera lake basins are modified by young explosive funnels,extrusive or effusive domes,and exhibit traces of hydrothermal *** lakes of the same genetic type in the Kuril-Kamchatka region are similar in depth and depression forms,the group of caldera lakes shows less homogeneity across all morphometric *** was found that the absolute heights of the reservoirs on Kamchatka Peninsula are generally greater than those on the Kuril Islands,as is often the case with the size of their *** volcanic lakes under study can rapidly change their volume and shape under the influence of endogenous *** the first time for this region,on the base of repeated observations,underwater extrusive dome rate growth and the approximate rates of 2 lake level changes were *** observations of lakes in the Ksudach calderas(Kamchatka)and on Simushir Island indicate approximate rates of level changes:a decrease ranging within 0.5-0.6 m per year(over a 27-year observation interval)and an increase reaching up to 0.26 m per year(over a 48-year interval).The growth rate of the underwater extrusive dome in Lake Shtyubel has averaged 1-1.6 m per year over the past 25 *** analysis has facilitated the first generalization regarding the morphology and developmental features of crater and caldera lakes in the Kuril-Kamchatka region of Russia,representing an important step in their *** results obtained will provide a solid foundation for subsequent research in this region and may be of interest to researchers studying

关键词： Volcanic lakes Echolocation survey Volcanism Gashydrotherms Kamchatka Kuril Islands

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A Learning-based Control Framework for Fast and Accurate manipulation of a Flexible Object

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Journal of Bionic Engineering 2024年第4期21卷 1761-1774页

作者： Junyi Wang Xiaofeng Xiong Silvia Tolu Stanislav n.Gorb Department of Electrical and Photonics Engineering Technical University of DenmarkAnker Engelunds Vej 101Kongens LyngbyZealand2800Denmark SDU Biorobotics Mærsk Mc-Kinney Møller InstituteUniversity of Southern Denmark(SDU)Campusvej 55Odense MFunen5230Denmark Department Functional morphology and Biomechanics Zoological InstituteUniversity of KielAm Botanischen Garten 1–9D-24118KielSchleswig-HolsteinGermany

This paper presents a learning-based control framework for fast(3 times of others).Besides,motion tracking errors are greatly reduced to 13.29 and 22.36 of constant impedance control by the OIAC of the proposed *** ad... 详细信息

This paper presents a learning-based control framework for fast(nd accurate manipulation of a flexible object,i.e.,whip *** framework consists of a motion planner learned or optimized by an algorithm,Online Impedance Adaptation Control(OIAC),a sim2real mechanism,and a visual feedback *** experimental results show that a soft actor-critic algorithm outperforms three Deep Reinforcement Learning(DRL),a nonlinear optimization,and a genetic algorithm in learning generalization of motion *** can greatly reduce average learning trials(tond maximize average rewards(to>3 times of others).Besides,motion tracking errors are greatly reduced to 13.29 and 22.36 of constant impedance control by the OIAC of the proposed *** addition,the trajectory similarity between simulated and physical whips is *** presented framework provides a new method integrating data-driven and physics-based algorithms for controlling fast and accurate arm manipulation of a flexible object.

关键词： Deep reinforcement learning Deformable object manipulation Variable impedance control Sim2real Visual tracking

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Work-function effect of Ti_(3)C_(2)/Fe-n-C inducing solid electrolyte interphase evolution for ultra-stable sodium storage

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nano Research 2024年第8期17卷 7163-7173页

作者： Huicong Xia Lingxing zan Hongliang Dong yifan Wei yue yu Jinfu Shu Jia-nan Zhang Chong-Xin Shan Key Laboratory of Advanced Energy Catalytic and Functional material Preparation of Zhengzhou College of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China Key Laboratory of materials Physics of ministry of Education School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450001China Key Laboratory of Chemical Reaction Engineering of Shaanxi Province College of Chemistry and Chemical EngineeringYan’an UniversityYan’an 716000China Center for High Pressure Science and Technology Advanced Research PudongShanghai 201203China Key Laboratory of Advanced Energy materials Chemistry(ministry of Education) Nankai UniversityTianjin 300071China

In the quest to enhance the efficiency of sodium-ion batteries,the dynamics of solid electrolyte interphase(SEI)formation are of paramount *** SEI layer’s integrity is integral to the charge–discharge efficiency and the overall longevity of the ***,a novel two-dimensional Ti_(3)C_(2) fragments enmeshed on iron-nitrogen-carbon(Fe-n-C)nanosheets(Ti_(3)C_(2)/Fe-nC)has been *** electrode features a matrix which has been shown to expedite SEI layer formation through the facilitation of selective anion adsorption,thus augmenting battery *** functional theory calculation reveals that the SEI evolution energy of naPF6 at the Ti_(3)C_(2)/Fe-n-C interface is 0.81 eV,significantly lower than the Ti_(3)C_(2)(1.23 eV).This process is driven by the electron transportation from Ti_(3)C_(2) to Fe-n-C substrate,facilitated by their work-function difference,leading to the formation of ferromagnetic Fe species,which possesses Fe 3d d_(xz)d_(z)2 orbitals and undergoes hybridization with theπandσorbitals of naF,creating a key intermediate during *** process diminishes the antibonding energy and attenuates the orbital interaction with naF,thus reducing the activation energy and improving the SEI formation reaction ***,it leads to the creation of multi-interface SEI characterized by high-throughput ion transport and an efficient reaction network.

关键词： Ti_(3)C_(2)/Fe-n-C heterostructure work-function electron interaction solid electrolyte interphase sodium storage

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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

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A Collocation Technique via Pell-Lucas Polynomials to Solve Fractional Differential Equationmodel for HIV/AIDS with Treatment Compartment

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Computer modeling in Engineering & Sciences 2024年第10期141卷 281-310页

作者： Gamze yıldırım Suayip yüzbası Department of mathematics Faculty of ScienceAkdeniz UniversityAntalya07058Turkey Department of mathematics Faculty of Basic ScienceGebze Technical UniversityKocaeli41400Turkey Department of mathematics Faculty of ScienceBartın UniversityBartın74100Turkey

In this study,a numerical method based on the Pell-Lucas polynomials(PLPs)is developed to solve the fractional order HIV/AIDS epidemic model with a treatment *** HIV/AIDS mathematical model with a treatment compartment is divided into five classes,namely,susceptible patients(S),HIV-positive individuals(I),individuals with full-blown AIDS but not receiving ARV treatment(A),individuals being treated(T),and individuals who have changed their sexual habits sufficiently(R).According to the method,by utilizing the PLPs and the collocation points,we convert the fractional order HIV/AIDS epidemic model with a treatment compartment into a nonlinear system of the algebraic ***,the error analysis is presented for the Pell-Lucas approximation *** aim of this study is to observe the behavior of five populations after 200 days when drug treatment is applied to HIV-infectious and full-blown AIDS *** demonstrate the usefulness of this method,the applications are made on the numerical example with the help of *** addition,four cases of the fractional order derivative(p=1,p=0.95,p=0.9,p=0.85)are examined in the range[0,200].Owing to applications,we figured out that the outcomes have quite decent ***,we understand that the errors decrease when the value of n *** figures in this study are created in *** outcomes indicate that the presented method is reasonably sufficient and correct.

关键词： Collocation method fractional differential equations HIV/AIDS epidemic model Pell-Lucas polynomials

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First-principles calculations to investigate structural,electronic,magnetic,optical and thermodynamic properties of RE_(2)Rh_(3)Ge(RE=Pr,Sm)

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Journal of Rare Earths 2024年第7期42卷 1385-1393,I0007页

作者： A.Ezaier R.masrour m.Hamedoun J.Kharbach A.Rezzouk A.Hourmatallah n.Benzakour K.Bouslykhane Laboratory of Solid Physics Faculty of Sciences Dhar El MehrazSidi Mohamed Ben Abdellah UniversityBP 1796FezMorocco Equipe de Physique du Solide LaboratoiresLIPIEcole Normale SupérieureBensoudaFèsMorocco

In this paper,we analyzed the physical characteristics of the ternary alloys RE_(2)Rh_(3)Ge(RE=Pr and Sm)using the first principles calculation based on functional density theory integrated in the Wien2k *** calculated formation energies of Pr_(2)Rh_(3)Ge and Sm_(2)Rh_(3)Ge are−5.3827 and−5.2782 eV/atom,respectively,showing that these alloys may exist *** results of the band structure and density of states indicate that all of the compounds tested are magnetic metals,and their magnetism is mostly related to the contribution of Pr and Sm *** total magnetic moments of Pr_(2)Rh_(3)Ge and Sm_(2)Rh_(3)Ge are 4.07245 and 11.16161μB/f.u,*** parameters such as heat capacity at constant pressure,entropy,Debye temperature,lattice volume,compressibility coefficients,and Grüneisen parameter alloys were calculated using the Gibbs algorithm and studied in depth over a large temperature range of 0-900 *** Debye temperature increases with increasing pressure and decreases with decreasing ***,the Debye temperatures calculated at p=0 GPa and T=300 K are equal to be 342 and 322 K for Pr_(2)Rh_(3)Ge and Sm_(2)Rh_(3)Ge,*** optical characteristics such as the real and imaginary portions of the dielectric function,the absorption coefficient,the energy-loss function,and the refractive index were investigated and discussed in more depth.

关键词： magnetic metals Functional density theory Density of states magnetic moment Optical and thermodynamic properties Rare earths

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