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Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties

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npj Computational Materials 2023年第1期9卷 639-648页

作者： Andrij vasylenko Dmytro Antypov vladimir v.gusev Michael W.Gaultois Matthew S.Dyer Matthew J.Rosseinsky Department of Chemistry University of LiverpoolCrown StreetLiverpool L697ZDUnited Kingdom Department of Computer Science University of LiverpoolAshton StreetLiverpool L693BXUnited Kingdom

The unique nature of constituent chemical elements gives rise to fundamental differences in *** materials based on their phase fields,defined as sets of constituent elements,before specific differences emerge due to composition and structure can reduce combinatorial complexity and accelerate screening,exploiting the distinction from composition-level *** and evaluation of novelty of materials classes align with the experimental challenge of identifying new areas of *** address this,we present PhaseSelect,an end-to-end machine learning model that combines representation,classification,regression and novelty ranking of phase *** leverages elemental characteristics derived from computational and experimental materials data and employs attention mechanisms to reflect the individual element contributions when evaluating functional performance of phase *** demonstrate this approach for high-temperature superconductivity,high-temperature magnetism,and targeted bandgap energy applications,showcasing its versatility and potential for accelerating materials exploration.

关键词： materials phase elements

基于光热调制检测发动机叶片疲劳裂纹的激光声表面波方法

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中国激光 2011年第11期38卷 84-88页

作者：董利明李加倪辰荫沈中华倪晓武陈建平 N.Chigarev v.Tournat v.gusev 南京理工大学理学院江苏南京210094 北京航空工程技术中心北京100076 LAUM CNRSUniversité du MaineAv.O.Messiaenlemans72085 LPEC CNRSUniversité du MaineAv.O.Messiaenlemans72085

提出了基于光热调制的激光声表面波检测疲劳裂纹的实验系统和方法,并将其用于发动机叶片疲劳裂纹的检测。Nd∶YAG激光器产生的激光通过凸透镜聚焦在样品表面,同时用半导体激光在激发点同一位置进行光热调制,利用干涉仪在另一位置探测声... 详细信息

提出了基于光热调制的激光声表面波检测疲劳裂纹的实验系统和方法,并将其用于发动机叶片疲劳裂纹的检测。Nd∶YAG激光器产生的激光通过凸透镜聚焦在样品表面,同时用半导体激光在激发点同一位置进行光热调制,利用干涉仪在另一位置探测声表面波信号。利用精密平移台在可能的裂纹区扫描激发源和加热源,获得打开光热调制和关闭光热调制时的声表面波信号,也即不同位置处样品加热和冷却时的信号Sheat和Scool,由于光热调制产生的压应力使裂纹闭合,使Sheat产生明显的峰值变化,因此差值信号ΔS=Sheat-Scool即为疲劳裂纹闭合引起的信号变化。对叶片表面裂纹检测的实验结果表明,该方法具有较高的检测灵敏度和可靠性。

关键词：激光技术光热调制声表面波激光疲劳裂纹超声检测

Selective footprints and genes relevant to cold adaptation and other phenotypic traits are unscrambled in the genomes of divergently selected chicken breeds

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Journal of Animal Science and Biotechnology 2023年第3期14卷 887-907页

作者： Michael N.Romanov Alexandra S.Abdelmanova vladimir I.Fisinin Elena A.Gladyr Natalia A.volkova Olga A.Koshkina Andrey N.Rodionov Anastasia N.vetokh Igor v.gusev Dmitry v.Anshakov Olga I.Stanishevskaya Arsen v.Dotsev Darren K.Griffin Natalia A.Zinovieva L.K.Ernst Federal Research Centre for Animal Husbandry DubrovitsyPodolskMoscow RegionRussia School of Biosciences University of KentCanterburyUK Federal State Budget Scientific Institution Federal Research Centre“All-Russian Poultry Research and Technological Institute”of the Russian Academy of Sciences Sergiev PosadMoscow RegionRussia Breeding and Genetic Centre“Zagorsk Experimental Breeding Farm”–Branch of the Federal Research Centre“All-Russian Poultry Research and Technological Institute”of the Russian Academy of Sciences Sergiev PosadMoscow RegionRussia Russian Research Institute of Farm Animal Genetics and Breeding–Branch of the L.K.Ernst Federal Research Centre for Animal Husbandry St.PetersburgRussia

Background The genomes of worldwide poultry breeds divergently selected for performance and other phenotypic traits may also be affected by,and formed due to,past and current admixture *** to diverse environments,including acclimation to harsh climatic conditions,has also left selection footprints in breed *** Using the Chicken 50K_CobbCons SNP chip,we genotyped four divergently selected breeds:two aboriginal,cold tolerant Ushanka and Orloff Mille Fleur,one egg-type Russian White subjected to artificial selection for cold tolerance,and one meat-type White *** of selective sweeps were determined in the studied breeds using three methods:(1)assessment of runs of homozygosity islands,(2)F_(ST) based population differential analysis,and(3)haplotype differentiation *** regions of true selection signatures were identified by two or more methods or in two or more *** these regions,we detected 540 prioritized candidate genes supplemented them with those that occurred in one breed using one statistic and were suggested in other *** them,SOX5,ME3,ZNF536,WWP1,RIPK2,OSGIN2,DECR1,TPO,PPARGC1A,BDNF,MSTN,and beta-keratin genes can be especially mentioned as candidates for cold *** factors may be involved in regulating some of these important genes(e.g.,TPO and BDNF).Conclusion Based on a genome-wide scan,our findings can help dissect the genetic architecture underlying various phenotypic traits in chicken *** include genes representing the sine qua non for adaptation to harsh *** tolerance in acclimated chicken breeds may be developed following one of few specific gene expression mechanisms or more than one overlapping response known in cold-exposed individuals,and this warrants further investigation.

关键词： Acclimation Adaptation Chicken breeds Cold tolerance Divergent selection Genetic diversity Genomewide scan Phenotypic traits Selective sweeps

Cross-method Analysis of Corotation Radii Data Set for Spiral Galaxies

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Research in Astronomy and Astrophysics 2024年第7期24卷 95-110页

作者： v.S.Kostiuk A.A.Marchuk A.S.gusev Sternberg Astronomical Institute Lomonosov Moscow State UniversityUniversitetsky pr.13119234 MoscowRussia Central(Pulkovo)Astronomical Observatory Russian Academy of SciencesPulkovskoye chaussee 65/1196140 St.PetersburgRussia Saint Petersburg State University Universitetsky pr.28198504 St.PetersburgRussia

A corotation radius is a key characteristic of disk galaxies that is essential to determine the angular speed of the spiral structureΩ_p,and therefore understand its *** the literature,there are plenty of methods to estimate this value,but do these measurements have any consistency?In this work,we collected a data set of corotation radius measurements for 547 galaxies,300 of which had at least two *** initial analysis reveals that most objects have rather inconsistent corotation radius ***,a significant fraction of galactic disks is distinguished by a large error coverage and almost uniform distribution of *** findings do not have any relation to spiral type,Hubble classification,or presence of a *** other reasons,obtained results could be explained by the transient nature of spirals in a considerable part of *** have made our collected data sample publicly available,and have demonstrated on one example how it could be useful for future research by investigating a winding time value for a sample of galaxies with possible multiple spiral arm patterns.

关键词： galaxies fundamental parameters-galaxies kinematics and dynamics-galaxies structure

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