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Interatomic Interaction Models for Magnetic Materials:Recent Advances

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Chinese Physics Letters 2024年第6期41卷 54-66页

作者： tatiana S.Kostiuchenko Alexander v.Shapeev Ivan S.Novikov Emanuel Institute of Biochemical Physics RAS 4 Kosygin StreetMoscow119334Russian Federation Independent investigator

Atomistic modeling is a widely employed theoretical method of computational materials *** has found particular utility in the study of magnetic ***,magnetic empirical interatomic potentials or spinpolarized density functional theory(DFT)served as the primary models for describing interatomic interactions in atomistic simulations of magnetic ***,in recent years,a new class of interatomic potentials known as magnetic machine-learning interatomic potentials(magnetic MLIPs)has *** MLIPs combine the computational efficiency,in terms of CPU time,of empirical potentials with the accuracy of DFT *** this review,our focus lies on providing a comprehensive summary of the interatomic interaction models developed specifically for investigating magnetic *** also delve into the various problem classes to which these models can be ***,we offer insights into the future prospects of interatomic interaction model development for the exploration of magnetic materials.

关键词： materials interaction empirical

Design of Biologically Active Macromolecular Ligands and Their Luminescent Complexes with Terbium Ions

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Chinese Journal of Polymer Science 2024年第5期42卷 604-611,I0007页

作者： tatiana N.Nekrasova Andrei I.Fischer Natalia A.Nesterova Anatoliy v.Dobrodumov Anzhelika v.Garshinina Olga D.Shuvaeva Natalya v.Zakharova Evgenii F.Panarin Institute of Macromolecular Compounds Russian Academy of Sciences31 Bolshoy pr.St Petersburg199004Russia Smorodintsev Research Institute of Influenza Russian Ministry of Health15/17 ul.prof.PopovaSt Petersburg197376Russia

Water-soluble copolymers of p-methacrylamidobenzoic acid(MABA)with neutral comonomers(N-vinylpyrrolidone(vP),N-methyl-N-vinylacetamide(MvAA),N-methacryloyl glucosamine(MAG))and anionic comononer sodium styrene sulfonate(NaSS)were synthesized by radical *** interactions between the prepared copolymers and Tb^(3+)ions in aqueous solutions were studied;the significant influence of chemical structure of a comonomer on luminescence intensity of Tb^(3+)complexes with the copolymers was *** luminescence intensity of Tb^(3+)complexes with the copolymers containing N-vinylamide units(vP,MvAA)is three times more intense than that observed for the complexes between Tb^(3+)and MAG-containing *** the case of NaSS-containing copolymers,the luminescence intensity is controlled by the values of binding constants between Tb^(3+)and MABA and the content of MABA units in a *** studied copolymers and their complexes with Tb^(3+)have low cytotoxicity and a pronounced antiviral activity against human respiratory syncytial virus.

关键词： Luminescence Water-soluble copolymers Lanthanide complexes Antiviral activity Cytotoxicity

Large-scale genome-wide SNP analysis reveals the rugged(and ragged)landscape of global ancestry,phylogeny,and demographic history in chicken breeds

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2024年第4期25卷 324-340页

作者： Natalia v.DEMENTIEvA Yuri S.SHCHERBAKOv Olga I.STANISHEvSKAYA Anatoly B.vAKHRAMEEv tatiana A.LARKINA Artem P.DYSIN Olga A.NIKOLAEvA Anna E.RYABOvA Anastasiia I.AZOvTSEvA Olga v.MITROFANOvA Grigoriy K.PEGLIvANYAN Natalia R.REINBACH Darren K.GRIFFIN Michael N.ROMANOv Russian Research Institute of Farm Animal Genetics and Breeding-Branch of the L.K.Ernst Federal Research Centre for Animal Husbandry.Pushkin St.Petersburg196601Russia School of Biosciences University of KentCanterburyCT27NJUK L.K.Ernst Federal Research Center for Animal Husbandry DubrovitsyPodolskMoscow Oblast142132Russia

The worldwide chicken gene pool encompasses a remarkable,but shrinking,number of divergently selected breeds of diverse *** study was a large-scale genome-wide analysis of the landscape of the complex molecular architecture,genetic variability,and detailed structure among 49 *** populations represent a significant sample of the world's chicken breeds from Europe(Russia,Czech Republic,France,Spain,UK,etc.),Asia(China),North America(USA),and Oceania(Australia).Based on the results of breed genotyping using the Illumina 60K single nucleotide polymorphism(SNP)chip,a bioinformatic analysis was carried *** included the calculation of heterozygosity/homozygosity statistics,inbreeding coefficients,and effective population *** also included assessment of linkage disequilibrium and construction of phylogenetic *** multidimensional scaling,principal component analysis,and ADMIXTURE-assisted global ancestry analysis,we explored the genetic structure of populations and subpopulations in each *** overall 49-population phylogeny analysis was also performed,and a refined evolutionary model of chicken breed formation was proposed,which included egg,meat,dual-purpose types,and ambiguous *** a large-scale survey of genetic resources in poultry farming using modern genomic methods is of great interest both from the viewpoint of a general understanding of the genetics of the domestic chicken and for the further development of genomic technologies and approaches in poultry *** general,whole genome SNP genotyping of promising chicken breeds from the worldwide gene pool will promote the further development of modern genomic science as applied to poultry.

关键词： Chicken genome diversity Single nucleotide polymorphism(SNP)analysis Gene pool Global ancestry Phylogeny Demographic history

B-L model with D_(4)×Z_(4)×Z_(2)symmetry for fermion mass hierarchies and mixings

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Chinese Physics C 2024年第6期48卷 11-30页

作者： v.v.vien Department of Physics Tay Nguyen UniversityDaklakVietnam

We constructed a gauge B-L model with D_(4)×Z_(4)×Z_(2)symmetry to explain the quark and lepton mass hierarchies and their mixings with realistic CP phases via the type-I seesaw *** quark mases,three quark mixing angles,and the CP phase in the quark sector take the central values whereas Yukawa couplings in the quark sector are diluted in a range of difference of three orders of magnitude by the perturbation theory at the first *** the neutrino sector,a small neutrino mass is achieved by the type-I seesaw *** inverted and normal neutrino mass hierarchies are consistent with the experimental *** predicted sum of neutrino masses for normal and inverted hierarchies,the effective neutrino masses,and the Dirac CP phase are also consistent with recently reported limits.

关键词： flavor symmetries quark and lepton masses and mixing extensions of electroweak gauge sector neutrino mass and mixing non-standard-model neutrinos right-handed neutrinos D4 discrete symmetry

Kinetics of dense plasma in the field of short laser pulses:A generalized approach

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Matter and Radiation at Extremes 2024年第5期9卷 87-92页

作者： v.A.Astapenko v.S.Lisitsa Moscow Institute of Physics and Technology(National Research University) Institutskii per.9141701 DolgoprudnyiRussia National Research Centre“Kurchatov Institute ”123182 MoscowRussia National Research Nuclear University MEPhI 115409 MoscowRussia

A generalized kinetic model of atomic level populations in an optically dense plasma excited by laser pulses of arbitrary duration is formulated and *** model is based on a nonstationary expression for the probability of excitation of an atomic transition and takes into account the effects of laser pulse penetration into an optically dense medium.A universal formula for the excitation probability as a function of time and propagation length is derived and applied to the case of a Lorentzian spectral profile of an atomic transition excited by a laser pulse with a Gaussian *** features of nonstationary excitation probabilities are presented for different optical depths of the plasma,laser pulse durations,and carrier *** formulas derived here will be useful for the description of atomic populations excited by laser pulses under realistic conditions of dense plasmas.

关键词： laser excitation excited

Active and passive modulation of solar light transmittance in a uniquely multifunctional dual-band single molecule for smart window applications

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Journal of Energy Chemistry 2024年第1期88卷 293-305,I0007页

作者： Pooja v.Chavan Pramod v.Rathod Joohyung Lee Sergei v.Kostjuk Hern Kim Department of Energy Science and Technology Environmental Waste Recycle InstituteMyongji UniversityYonginGyeonggi-do 17058Republic of Korea Department of Chemical Engineering Myongji UniversityYonginGyeonggi-do 17058Republic of Korea Research Institute for Physical Chemical Problems of the Belarusian State University MinskBelarus

Functional materials may change color by heat and electricity separately or simultaneously in smart *** materials have not only demonstrated remarkable potential in the modulation of solar radiation but are also leading to the development of indoor environments that are more comfortable and conducive to improving individuals'quality of ***,dual-responsive materials have not received ample research attention due to economic and technological *** a consequence,the broader utilization of smart windows faces *** address this new generational multistimulus responsive chromic materials,our group has adopted a developmental strategy to create a poly(NIPAM)n-Hv as a switchable material by anchoring active viologen(Hv)onto a phase-changing poly(NIPAM)n-based smart material for better utility and *** constructed smart windows facilitate individualistic reversible switching,from a highly transparent state to an opaque state(thermochromic)and a red state(electrochromic),as well as facilitate a simultaneous dual-stimuli response reversible switching from a clear transparent state to a fully opaque(thermochromic)and orange(electrochromic)*** privacy can be attained in smart windows designed for exclusive settings by achieving zero *** unique chromic mode operates independently and modulates visible and near-infrared(NIR)light in a distinct ***,these smart windows with thermal and electric dual-stimuli responsiveness demonstrate remarkable heat regulation capabilities,rendering them highly attractive for applications in building facades,energy harvesting,privacy protection,and color display.

关键词： Smart windows Thermochromism Electrochromism Energy saving Dual-responsive material

Unravelling-based (auto)control of back-action in atomic Bose–Einstein condensate

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Frontiers of physics 2024年第4期19卷 287-295页

作者： v.A.Tomilin L.v.Il’ichov Institute of Automation and Electrometry SB RAS 630090 NovosibirskRussia

We present a novel feedback control method for quantum *** does not affect the controlled system ***,it controls the unravelling of the quantum channel of interaction between the system and its *** interaction can be represented as a history of *** their informational content is changed,their back-action on the system is also *** action is trigged by the events,thus granting the system the degree of control over its own *** efficiency of the proposed scheme is demonstrated on the example of two-mode atomic Bose-Einstein condensate,with one of its modes subject to phase-contrast imaging in a Mach–Zehnder *** histories of photocounts in the output channels of the interferometer are used for *** capabilities of state engineering are studied for different settings of the feedback loop and different numbers of events in the recorded histories.

关键词： quantum feedback control quantum measurements twomode Bose-Einstein condensates

Photoluminescence,structural and antibacterial properties of co-dopedβ-Ca_(3)(PO_(4))_(2)-type phosphates Ca_(8)CuRE(PO_(4))_(7)(RE=Eu-Er)

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Journal of Rare Earths 2024年第9期42卷 1658-1668,I0002页

作者： Ivan v.Nikiforov Ekaterina v.Iliin Bogdan I.Lazoryak Sergey M.Aksenov Pavel v.Slukin Dina v.Deyneko Department of Chemistry Lomonosov Moscow State University119991MoscowRussia Laboratory of Arctic Mineralogy and Material Sciences Kola Science CentreRussian Academy of Sciences184209ApatityRussia Geological Institute Kola Science CentreRussian Academy of Sciences184209ApatityRussia State Scientific Center of Applied Microbiology and Biotechnology of Rospotrebnadzor 24 Block A142279ObolenskRussia

Novel Ca_(8)CuRE(PO_(4))_(7)where RE^(3+)=Eu^(3+),Tb^(3+),Dy^(3+),Ho^(3+)and Er^(3+)were synthesized by a solid-state method in *** structures of the samples were characterized by powder X-ray diffraction using Rietveld refinement to determine the occupation of crystal *** samples are found to have a centrosymmetric structure with space group R3c,as shown by dielectric *** synthesized Ca_(8)CuRE(PO_(4))_(7)samples have multifunctional *** Cu^(2+)ions provide antibacterial properties,while the rare earth elements ions exhibit luminescence properties,and theβ-Ca_3(PO_(4))_(2)-type host is *** photoluminescence properties of RE^(3+)ions were studied and compared with other simmilar Ca_(8)MRE(PO_(4))_(7)phosphates,where M is a divalent *** photoluminescence intensity quenching in terms of energy transfer from RE^(3+)to Cu^(2+)is *** bioactive properties were studied in relation to antibacterial activity against *** and *** syntesized Ca_(8)CuRE(PO_(4))_(7)samples demonstrate very high and stable inhibition of bacteria *** correlation between crystal structure and properties is *** combining multiple approaches to the directio nal design of such materials,several important properties within a single chemical compound to achieve biovisualization and bioactive properties simultaneously can be combined.

关键词： β-Ca_(3)(PO_(4))_(2) Whitlockite-type structure Bioactive phosphates TCP Photoluminescence Rare earths

The Radcliffe Wave Parameters from Data on Open Star Clusters

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Research in Astronomy and Astrophysics 2024年第3期24卷 106-109页

作者： v.v.Bobylev A.T.Bajkova Pulkovo Astronomical Observatory St-Petersburg 196140Russia

A spectral analysis of the vertical positions and velocities of 374 open star clusters(OSCs)was carried *** took these OSCs from the Hunt and Reffert catalog;they have an average age of about 10 million years,and are located on the galactic plane XY in a narrow zone inclined by 25°to the galactic axis *** following estimates of the parameters of the Radcliffe wave were obtained:(a)the maximum value in periodic perturbations of vertical coordinates Z_(max)=92±10pc with the wavelength of these perturbations λ_(z)=4.82±0.09 kpc;(b)the maximum value of the velocity of vertical disturbances Wmax=4.36±0.12km s^(-1) with disturbance wavelengthλ_(W)=1.78±0.02 *** that the results of the vertical velocity analysis are first-class in accuracy and completely new.

关键词： (Galaxy) local interstellar matter-Galaxy structure-(Galaxy) solar neighborhood