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Agglomeration of coal and polyethylene mixtures during fixed‑bed co‑gasification

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International Journal of Coal Science & Technology 2024年第2期11卷 91-100页

作者： Igor G.Donskoy aleksandr N.Kozlov Maksim v.Penzik Denis A.Svishchev Lu Ding Melentiev Energy Systems Institute Russian Federation130 Lermontova StreetIrkutskRussia 664033 East China University of Science and Technology 130 Meilong RoadShanghai 200237China

The article presents the results of experimental studies on the gasification of mixtures of brown coal and polyethylene(up to 20 wt%fraction)in a laboratory *** work aims to study the agglomeration process during the heating and oxidation of the *** measurement results(gas composition,pressure drop)provide indirect information on the dynamics of thermal decomposition and structural changes in the fuel *** have shown that the interaction between polyethylene and a coal surface leads to the formation of dense agglomerates,in which the molten polymer acts as a *** form as a result of interfacial interactions between components and filtration flow *** hydrogen/carbon ratio in the solid residue of coal-polyethylene co-gasification increases from 0.07–0.2 to 1.11,indicating the formation of stable hydrocarbon compounds on the carbon *** conducted research makes it possible to identify possible interactions between chemical reactions and transfer processes that lead to agglomeration in mixtures of coal with polyethylene.

关键词： Coal Polyethylene Gasification Combustion Agglomeration

Interaction of edge dislocations with voids in tungsten

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Tungsten 2024年第3期6卷 633-646页

作者： Arseny Kazakov Rita I.Babicheva aleksandr Zinovev Dmitry Terentyev Kun Zhou Elena A.Korznikova Sergey v.Dmitriev Research Laboratory for Metals and Alloys under Extreme Impacts Ufa University of Science and Technology Institute for Metals Superplasticity Problems of RAS School of Mechanical and Aerospace Engineering Nanyang Technological University Institute for Nuclear Energy Technology Belgian Nuclear Research Center Technological Machines and Equipment Department Ufa State Petroleum Technological University Institute of Mechanical Science Problems of RAS Institute of Molecule and Crystal Physics UFRC of Russian Academy of Sciences

Tungsten is widely used as a material capable of withstanding extreme operating conditions and is one of the candidates for use in fusion and Generation Ⅳ fission *** modelling implemented to solve various material science problems is an indispensable approach for improving material *** work analyzes the interaction of an edge dislocation with a void in single-crystal tungsten with the help of molecular dynamics *** different approaches for studying the dynamics of dislocations in tungsten that differ in boundary conditions are *** interactions of the dislocation and void at different temperatures are investigated,and based on the obtained stress-strain curves,the dislocation obstacle strength for voids having various diameters is *** is shown that when applied to a crystal with small voids,the model with the fixed boundary conditions returns incorrect ***,the influence of the cell size for the model with periodic boundary conditions is analyzed,and the case of a non-central interaction of a dislocation with a void is *** obtained results improve our understanding of the mechanical response of irradiated materials.

关键词： Tungsten Molecular dynamics method Dislocations voids Boundary conditions

Porphyrins,phthalocyanines,and related covalent-organic frameworks in the photochemical and electrochemical water splitting:A review

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Particuology 2024年第7期90卷 236-265页

作者： Oxana v.Kharissova Yolanda Peña Méndez Boris I.Kharisov aleksandr LNikolaev Edith Luévano-Hipólito Lucy T.González Universidad Autónoma de Nuevo León Ave.Universidad s/nSan Nicolás de los GarzaNuevo León66455Mexico Department of Chemistry Moscow State UniversityVorobievy HillsMoscowRussia CONACYT-Universidad Autónoma de Nuevo León Facultad de Ingeniería Civil-Departamento de Ecomateriales y EnergíaCd.UniversitariaC.P.66455San Nicolás de los GarzaNLMexico Tecnologico de Monterrey Escuela de Ingeniería y CienciasMonterreyNuevo León 64890Mexico Tecnologico de Monterrey Centro del AguaMonterreyNuevo León 64890Mexico

In this review,the possibilities of photochemical and electrochemical water splitting(WS)using porphyrins,phthalocyanines,related macrocycles,and their metal complexes are *** efforts are being carried out in order to develop novel and cheap methods for water decomposition to generate inexhaustible greener energy sources(molecular hydrogen)instead of oil and *** processes of WS in heterogeneous and homogeneous media require novel photo-and electrocatalysts,in particular those on macrocycle basis.A high WS efficiency has been observed for porphyrins and phthalocyanines,showing their suitability both for HER and OER processes are available using these relative compounds for WS *** can be used in photocatalytic and electrocatalytic WS processes both in their free forms or as metal porphyrins/porphyrinates,mainly loaded on various inorganic materials,such as Au NPs,C_(3)N_(4),GaP,KTaO_(3),GaP,and so on,as part of porphyrin-containing polymers or on electrode surface as modifying coatings,being sometimes better than commercial catalysts,such as Pt/*** H2 evolution can be considerably depended on the shape of porphyrin particles;in particular,porphyrin nanowires can yield up to 20 times more H2 than its *** certain cases,both HER and OER can be driven in the same electrolyte using metal *** capacity of metal porphyrins to generate ROS(in particular,singlet oxygen 1O_(2))under ultrasonic treatment is known and can be successfully used for H_(2)O_(2) and O_(2) *** can be used in similar processes in free form or as composites with inorganic or organic counterparts,being immobilized on nanocarbons,metal oxides and salts,or simply dissolved in water acting in a homogeneous *** additional use of ultrasound can lead to better results due to the synergistic effect of the sonochemical treatment and ***-organic frameworks are also applied for WS purposes and are mainly based

关键词： Porphyrins Phthalocyanines COFs Water splitting Photocatalysis Electrocatalysis

Kinetics and mechanism of the low-energy b-a phase transition of the second kind in 2,4-dinitroanisole

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Defence Technology（防务技术） 2024年第10期40卷 210-224页

作者： aleksandr v.sta.kevich Nikolay A.Rasputin Anisa KhRudina Gennady L.Rusinov vera I.Filyakova valery N.Charushin y1.postovsky institute of organic synthesis ural branch of the russian academy of sciencesekaterinburg 620108russia russian federal nuclear center e zababakhin all-russia research institute of technical physics snezhinsk 456770russia kazan national research technological university kazan 420015russia

In this work,comprehensive studies of 2,4-dinitroanisole(2,4DNAN)were carried out using powder thermorentgenography of the internal *** time of the complete polymorphic transition in the solid phase b/a in 2,4DNAN under various combinations of conditions has been *** has been established that,regardless of the season of manufacture of the substance,when it is stored for 8e9 months,with a change in ambient temperature from minus 30℃ to plus 30℃,a complete polymorphic transition b/a *** stored in conditions below minus 5℃,polymorphic transition does not *** stored in conditions above plus 30℃ in a closed container,polymorphic transition occurs within 3 *** polymorphic transition is accompanied by a decrease in density by 1.3%e1.5%and an increase in melting temperature by 10-12℃,depending on the degree of purity of the starting *** activation energy of the molecular rearrangement was 68e70 kJ/mol(16.5±3 kcal/mol).The mechanism of polymorphic transition has been evaluated,which is presumably based on internal homodiffusion and energy transfer to the surface of the mass of powder particles and the *** average activation energy of the polymorphic transition process was 110±6.2 kJ/mol(26.2 kcal/mol).In an open container,reactions proceed by a homogeneous mechanism,and in a closed container by a heterogeneous mechanism involving the gas phase.

关键词： Energetic materials Melt-castable 2,4-Dinitroanisole Polymorphic transition Kinetics Mechanism Homodiffusion Sublimation

The effect of long-term application of nitrogen-rich fertilizers on soil resistome:A study of conventional and organic cropping systems

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Soil Ecology Letters 2024年第3期6卷 135-150页

作者： Alexey S.vasilchenko Evgenii O.Burlakov Darya v.Poshvina Denis S.Gruzdev Sergey v.Kravchenko aleksandr v.Iashnikov Ning Ling Anastasia v.vasilchenko Laboratory of Antimicrobial Resistance Institute of Environmental and Agricultural Biology(X-BIO)Tyumen State UniversityTyumenRussia Research Institute of Mathematics Physics and Computer ScienceDerzhavin Tambov State UniversityTambovRussia International Integrated Research Laboratory for Climate Change Land Use and BiodiversityInstitute of Environmental and Agricultural Biology(X-BIO)Tyumen State UniversityTyumenRussia SciBear OU Tartu Mnt 67/1-13bKesklinna Linnaosa10115 TallinnEstonia Center for Grassland Microbiome State Key Laboratory of Grassland Agro-EcosystemsCollege of Pastoral Agriculture Science and TechnologyLanzhou UniversityLanzhou 730000China

Metagenomic studies of various soil environments have previously revealed the widespread distribution of antibiotic resistance genes(ARGs)around the *** this study,we applied shotgun metagenomics to investigate differences in microbial communities and resistomes in Chernozem soils that have been under long-term organic and conventional cropping *** organic cropping system was seeded with Triticum spelta without any *** conventional cropping system was seeded with Tríticum durum Desf and used mineral fertilizer(NPK),that resulted in an increased amount of total and available carbon and nitrogen in *** all samples,we identified a total of 21 ARG classes,among which the dominant were vancomycin,tetracycline and *** of soil microbial communities revealed differences between the studied fields in the relative abundances of 14 and 53 genera in topsoil and subsoil,*** analysis showed significant correlations(positive and negative)among 18 genera and 6 ARGs,as well as between these ARGs and some chemical properties of *** analysis of metagenome-assembled genomes revealed that Nitrospirota,Thermoproteota,Actinobacteriota and Binatota phyla of archaea and bacteria serve as hosts for glycopeptide and fluoroquinolone/tetracycline ***,the data obtained enrich knowledge about the consequences of human agricultural activities in terms of soil microbiome modification and highlight the role of nitrogen cycling taxa,including uncultivated genera,in the formation of soil resistome.

关键词： soil microbiome inorganic fertilizer nitrogen cycle uncultured bacteria chemolithotrophs Binatia

Elucidating elusive quaternary selenide EuCeCuSe3:Synthesis,crystal structure,properties and theoretical studies

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Journal of Rare Earths 2024年第1期42卷 163-171,I0006页

作者： Maxim v.Grigoriev Anna v.Ruseikina Maxim S.Molokeev vladimir A.Chernyshev aleksandr S.aleksandrovsky Alexander S.Krylov Svetlana N.Krylova Nikolai P.Shestakov Dmitriy A.velikanov Alexander A.Garmonov Alexey v.Matigorov Evgeny A.Ostapchuk Thomas Schleid Damir A.Safin Laboratory of Theory and Optimization of Chemical and Technological Processes University of TyumenVolodarskogo Str.6625003TyumenRussian Federation Kirensky Institute of Physics Federal Research Center KSC SB RASAkademgorodok 50 Bld.38660036KrasnoyarskRussian Federation Department of Physics Far Eastern State Transport UniversitySerysheva Str.47680021KrasnoyarskRussian Federation Institute of Natural Sciences and Mathematics Ural Federal University Named After the First President of Russia B.N.YeltsinMira Str.19620002EkaterinburgRussian Federation Department of Photonics and Laser Technology Siberian Federal UniversitySvobodnii Ave.79660079KrasnoyarskRussian Federation Institute of Physics and Technology University of TyumenVolodarskogo Str.6625003 TyumenRussian Federation Institute for Inorganic Chemistry University of StuttgartPfaffenwaldring 55D-70569StuttgartGermany Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies Ural Federal University named after the First President of Russia B.N.YeltsinMira Str.19620002 EkaterinburgRussian Federation University of Tyumen Volodarskogo Str.6625003TyumenRussian Federation

We report on the novel heterometallic quaternary selenide EuCeCuSe3,the fabrication of which has been a challenge until this *** structure of the reported selenide was elucidated from the powder X-ray diffraction data,which revealed the formation of EuCeCuSe3with excellent yield(96.7%)accompanied with a minor fraction of CeSe2(3.3%),and was best solved in orthorhombic space group Pnma with the BaLaCuS3structural ***,the crystal structure of the title compound completes the row of the heterometallic quaternary selenides EuRECuSe3(RE=La,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Y),of which the cerium-based derivative exclusively belongs to the BaLaCuS3structural *** distortion of the CuSe4polyhedron was compared for the whole series of EuRECuSe3compounds using theτ4-descriptor for four coordinated ions,which revealed the highest degree of distortion for the Ce3+-containing selenide,followed by the La3+-based ***,the crystallographic and geometrical parameters of the reported selenide were discussed in comparison to the Ce3+-based sulfides SrCeCuS3and *** initio calculations of the crystal structure,a phonon spectrum and elastic constants for the crystal of EuCeCuSe3were also *** types and wavenumbers of fundame ntal modes were determined and the involvement of ions participating in the phonon modes was *** experimental IR spectrum of the reported selenide was interpreted and found to be in agreement with the calculated *** experimental direct band gap of EuCeCuSe3was measured to be 1.36 ev that is consistent with the concept of its origin due to interband transitions between orbitals emerging mainly from 4f(valence band)and 5d(conduction band)levels of the Eu2+*** dependence of the Young’s modulus on the direction demonstrates the anisotropy of the elastic properties,while the vickers hardness for EuCeCuSe3was calculated to be 5.2 ***,the title compound is paramagnetic above 4 K.

关键词： Quaternary selenide Synthesis Crystal structure Ab initio calculations Magnetic measurements Spectroscopy

Exploring van der Waals materials with high anisotropy:geometrical and optical approaches

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Light(Science & Applications) 2024年第4期13卷 645-653页

作者： aleksandr S.Slavich Georgy A.Ermolaev Mikhail K.Tatmyshevskiy Adilet N.Toksumakov Olga G.Matveeva Dmitriy v.Grudinin Kirill v.voronin Arslan Mazitov Konstantin v.Kravtsov Alexander v.Syuy Dmitry M.Tsymbarenko Mikhail S.Mironov Sergey M.Novikov Ivan Kruglov Davit A.Ghazaryan Andrey A.vyshnevyy Aleksey v.Arsenin valentyn S.volkov Kostya S.Novoselov Moscow Center for Advanced Studies Kulakova str.20Moscow 123592Russia. Emerging Technologies Research Center XPANCEOInternet CityEmmay TowerDubaiUnited Arab Emirates. Donostia International Physics Center(DIPC) Donostia/San-Sebastián 20018Spain. Institute of Materials Ecole Polytechnique Federale de Lausanne1015 LausanneSwitzerland. Department of Chemistry Lomonosov Moscow State UniversityMoscow 119991Russia. Laboratory of Advanced Functional Materials Yerevan State UniversityYerevan 0025Armenia. National Graphene Institute(NGI) University of ManchesterManchester M139PLUK. Department of Materials Science and Engineering National University of SingaporeSingapore 03-09 EASingapore. Institute for Functional Intelligent Materials National University of Singapore117544 SingaporeSingapore

The emergence of van der Waals(vdW)materials resulted in the discovery of their high optical,mechanical,and electronic anisotropic properties,immediately enabling countless novel phenomena and *** success inspired an intensive search for the highest possible anisotropic properties among vdW ***,the identification of the most promising among the huge family of vdW materials is a challenging quest requiring innovative ***,we suggest an easy-to-use method for such a survey based on the crystallographic geometrical perspective of vdW materials followed by their optical *** our approach,we found As2S3 as a highly anisotropic vdW *** demonstrates high in-plane optical anisotropy that is~20%larger than for rutile and over two times as large as calcite,high refractive index,and transparency in the visible range,overcoming the century-long record set by *** these benefits,As2S3 opens a pathway towards nextgeneration nanophotonics as demonstrated by an ultrathin true zero-order quarter-wave plate that combines classical and the Fabry–Pérot optical phase ***,our approach provides an effective and easy-to-use method to find vdW materials with the utmost anisotropic properties.

关键词： anisotropy anisotropic high

Microstructure and martensitic transformation in quaternary NiTiHfv alloy

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Transactions of Nonferrous Metals Society of China 2024年第10期34卷 3282-3294页

作者： aleksandr v.SHUITCEv Yi REN Ze-zhong ZHANG Roman N.vASIN Bin SUN Li LI Yun-xiang TONG International Joint Laboratory of Advanced Nanomaterials of Heilongjiang Province College of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001China Frank Laboratory of Neutron Physics Joint Institute for Nuclear Research141980DubnaRussia Center of Testing and Analysis College of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001China

The effect of age hardening on the microstructure,martensitic transformation behavior,and shape memory properties of the(Ni_(50)Ti_(30)Hf_(20))_(95)v_(5)alloy was investigated by scanning electron microscopy,transmission electron microscopy,X-ray diffraction,differential scanning calorimetry,microhardness,and bending *** results demonstrate a significant influence of v addition on the microstructure of the alloy.v addition leads to the formation of a(Ni,v)_(2)(Ti,Hf)-type Laves phase,which coexists with B19'martensite at room *** at 550℃results in precipitation hardening due to the formation of nano-scale orthorhombic H-phase,with the peak hardness observed after 3 h of *** alloy at peak hardness state exhibits higher transformation strain and lower unrecovered strain compared to the solution-treated *** aged sample achieves a maximum transformation strain of 1.56%under 500 MPa.

关键词： shape memory alloys NiTiHfv H-phase Laves phase martensitic transformation

Pulsed THz radiation under ultrafast optical discharge of vacuum photodiode

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Frontiers of Optoelectronics 2024年第2期 100-113页

作者： aleksandr A.Ushakov Kseniia A.Mamaeva Leonid v.Seleznev Georgy E.Rizaev vladimir Bukin Timophey v.Dolmatov Pavel A.Chizhov vladimir Bagdasarov Sergey v.Garnov Prokhorov General Physics Institute of the Russian Academy of Sciences Physical Institute Russian Academy of Sciences Moscow Institute of Physics and Technology Russian Institute for Scientific and Technical Information

In this paper, we first present an experimental demonstration of terahertz radiation pulse generation with energy up to 5 pJ under the electron emission during ultrafast optical discharge of a vacuum photodiode. We use a femtosecond optical excitation of metallic copper photocathode for the generation of ultrashort electron bunch and up to 45 kv/cm external electric field for the photo-emitted electron acceleration. Measurements of terahertz pulses energy as a function of emitted charge density, incidence angle of optical radiation and applied electric field have been provided. Spectral and polarization characteristics of generated terahertz pulses have also been studied. The proposed semi-analytical model and simulations in COMSOL Multiphysics prove the experimental data and allow for the optimization of experimental conditions aimed at flexible control of radiation parameters.

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