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Nitroxy-and azidomethyl azofurazans as advanced energetic materials

Defence Technology（防务技术） 2022年第8期18卷 1369-1381页

作者： Aleksei B.Sheremetev Svetlana F.Mel'nikova Elizaveta S.Kokareva Ruslan E.Nekrutenko kirill v.strizhenko Kyrill Yu Suponitsky Thanh Dat Pham Alla N.Pivkina valery P.Sinditskii Zelinsky Institute of Organic Chemistry Russian Academy of Sciences47 Leninsky ProspMoscow119991Russia Saint Petersburg State Institute of Technology 26 Moskovskii PrSt Petersburg190013Russia Mendeleev University of Chemical Technology Moscow125047Russia N.N.Semenov Federal Research Center for Chemical Physics Russian Academy of Sciences4 Kosygina Str119991MoscowRussia

Progress in the rocket industry is only possible on the basis of new, higher performance and more environmentally friendly materials compared to up-to-date propellant ingredients for liquid, solid, gelled and hybrid propellant systems. In this work, synthetic methods have been developed for the preparation of new energetic azofurazans bearing nitroxymethyl or azidomethyl groups. All prepared compounds were fully characterized by multinuclear NMR and IR spectroscopies, as well as elemental analyses. An analysis of the structural features based on the X-ray single-crystal diffraction made it possible to discuss their influence on the densities of the azofurazans of this study. Thermal decomposition and combustion of nitroxymethyl and azidomethyl azofurazans were studied using a number of complementary experimental techniques, namely thermogravimetry, differential scanning calorimetry, manometry, microthermocouple measurements in the combustion wave. The structural and physical characteristics of these new energetic analogues illustrate the extent to which the nature of the explosophoric groups can be used to tune the performace of the azofurazan framework. These azofurazans possess positive calculated enthalpy of formation and are promising candidates for new environmentally friendly energetic materials.

关键词： Azofurazan Azide Nitrate ester X-ray Combustion

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Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi highentropy alloy

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Nano Research 2024年第6期17卷 5336-5348页

作者： Alevtina Smekhova Daniel Gaertner Alexei Kuzmin Ana Guilherme Buzanich Goetz Schuck Ivo Zizak Gerhard Wilde kirill v.Yusenko Sergiy Divinski Helmholtz-Zentrum Berlin für Materialien und Energie(HZB) D-12489 BerlinGermany Institute of Materials Physics University of MünsterD-48149 MünsterGermany Institute of Solid State Physics University of LatviaLV-1063 RigaLatvia Bundesanstalt für Materialforschung und–prüfung(BAM) D-12489 BerlinGermany

Multi-edge extended X-ray absorption fine structure(EXAFS)spectroscopy combined with reverse Monte Carlo(RMC)simulations was used to probe the details of element-specific local coordinations and component-dependent structure relaxations in single crystalline equiatomic CrMnFeCoNi high-entropy alloy as a function of the annealing *** representative states,namely a high-temperature state,created by annealing at 1373 K,and a low-temperature state,produced by long-term annealing at 993 K,were compared in *** features identified in atomic configurations of particular principal components indicate variations in the local environment distortions connected to different degrees of compositional disorder at the chosen representative *** detected changes provide new atomistic insights and correlate with the existence of kinks previously observed in the Arrhenius dependencies of component diffusion rates in the CrMnFeCoNi high-entropy alloy.

关键词： high-entropy alloys diffusion short-range order extended X-ray absorption fine structure(EXAFS) reverse Monte Carlo

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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

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Modeling of cold-temperate tree Pinus koraiensis (Pinaceae) distribution in the Asia-Pacific region: Climate change impact

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Forest Ecosystems 2022年第2期9卷 160-167页

作者： Tatyana Y.Petrenko kirill A.Korznikov Dmitry E.Kislov Nadezhda G.Belyaeva Pavel v.Krestov Botanical Garden-Institute FEB RAS Makovskogo St.142Vladivostok690024Russia Institute of Geography RAS Staromonetniy 24-4Moscow119017Russia

Background:Pinus koraiensis Siebold&Zucc.(Korean pine)is a key species of the mixed cold temperate forests of Northeast *** climate change can significantly worsen the quality of *** habitats and therefore lead to a large-scale structural and functional transformation of the East Asian mixed *** built a species distribution model(SDM)for *** using the random forest classifier–a versatile machine learning al-gorithm,to discover overlap areas of potential species occurrence in the climate condition of the Last Glacial Maximum(~21,000 year before present)and in the projected future climates(2070 year),from which possible permanent refugia for *** were ***:Using the random forest supervised learning algorithm,we developed models of the modern distribution of *** in accordance with the five selected bioclimatic variables(Kira’s warmth and coldness indices,the index of continentality,the rain precipitation index,and the snow precipitation index).In addition to current climatic conditions,we performed this analysis for the climate of the Last Glacial Maximum and for the future projected climate(2070)under scenarios RCP2.6 and *** the predictors,the rain index appears to be the most *** land area estimates with high suitability for *** was 303,785 km 2 under current climatic conditions,586,499 km 2 for the Last Glacial Maximum,and 337,573 km^(2) for the future(2070)period under the RCP2.6 scenario,and 397,764 km^(2) under the RCP8.5 ***:Most of the potential range of *** during the Last Glacial Maximum was located outside the current distribution area of the *** climatically suitable *** habitats will likely disappear in the western part of its modern *** the southern part of the range,which includes glacial refugia,the areas of continuous distribution of the *** populations since the end of the Pleistocene are expected to

关键词： Climate change Bioclimatic modeling Species distribution model Korean pine Northeast Asia

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变压场中蒸汽泡的动力学研究

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Journal of Marine Science and Application 2022年第3期21卷 83-98页

作者： kirill v.Rozhdestvensky Department of Applied Mathematics and Mathematical Modeling Saint Petersburg State Marine Technical University190121 Saint PetersburgRussia

This paper presents analytical and numerical results of vapor bubble dynamics and acoustics in a variable pressure ***,a classical model problem of bubble collapse due to sudden pressure increase is *** this problem,the Rayleigh–Plesset equation is treated considering gas content,surface tension,and viscosity,displaying possible multiple expansion–compression ***,a similar investigation is conducted for the case when the bubble originates near the rounded leading edge of a thin and slightly curved foil at a small angle of *** the flow field around the foil is constructed using the method of matched asymptotic *** outer flow past the hydrofoil is described by linear(small perturbations)theory,which furnishes closed-form solutions for any analytical *** stretching local coordinates inversely proportionally to the radius of curvature of the rounded leading edge,the inner flow problem is derived as that past a semi-infinite osculating parabola for any analytical foil with a rounded leading *** that the pressure outside the bubble at any moment of time is equal to that at the corresponding point of the streamline,the dynamics problem of a vapor bubble is reduced to solving the Rayleigh-Plesset equation for the spherical bubble evolution in a time-dependent pressure *** the case of bubble collapse in an adverse pressure field,the spectral parameters of the induced acoustic pressure impulses are determined similarly to equivalent triangular *** present analysis can be extended to 3D flows around wings and screw *** this case,the outer expansion of the solution corresponds to a linear lifting surface theory,and the local inner flow remains quasi-2D in the planes normal to the planform contour of the leading edge of the wing(or screw propeller blade).Note that a typical bubble contraction time,ending up with its collapse,is very small compared to typical time of any variation in the f

关键词： Thin foil theory Matched expansions method Rayleigh-Plesset equation Bubble cavitation vapor bubble dynamics Bubble collapse Cavitation noise spectra

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Al-driven peculiarities of local coordination and magnetic properties in single-phase Al_(x)-CrFeCoNi high-entropy alloys

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Nano Research 2022年第6期15卷 4845-4858页

作者： Alevtina Smekhova Alexei Kuzmin Konrad Siemensmeyer Chen Luo Kai Chen Florin Radu Eugen Weschke Uwe Reinholz Ana Guilherme Buzanich kirill v.Yusenko Helmholtz-Zentrum Berlin für Materialien und Energie(HZB) D-12489Germany Institute of Solid State Physics University of LatviaLV-1063Latvia Bundesanstalt für Materialforschung und-prüfung(BAM) D-12489Germany

Modern design of superior multi-functional alloys composed of several principal components requires in-depth studies of their local structure for developing desired macroscopic ***,peculiarities of atomic arrangements on the local scale and electronic states of constituent elements in the single-phase face-centered cubic(fcc)-and body-centered cubic(bcc)-structured high-entropy Alx-CrFeCoNi alloys(x=0.3 and 3,respectively)are explored by element-specific X-ray absorption spectroscopy in hard and soft X-ray energy *** based on the reverse Monte Carlo approach allow to perform a simultaneous fit of extended X-ray absorption fine structure spectra recorded at K absorption edges of each 3d constituent and to reconstruct the local environment within the first coordination shells of absorbers with high *** revealed unimodal and bimodal distributions of all five elements are in agreement with structure-dependent magnetic properties of studied alloys probed by magnetometry.A degree of surface atoms oxidation uncovered by soft X-rays suggests different kinetics of oxide formation for each type of constituents and has to be taken into account.X-ray magnetic circular dichroism technique employed at L2,3 absorption edges of transition metals demonstrates reduced magnetic moments of 3d metal constituents in the sub-surface region of in situ cleaned fcc-structured Al0.3-CrFeCoNi compared to their bulk *** to nanostructured versions of multicomponent alloys,such studies would bring new insights related to effects of high entropy mixing on low dimensions.

关键词： high-entropy alloys reverse Monte Carlo magnetism element-specific spectroscopy extended X-ray absorption fine structure(EXAFS) X-ray magnetic circular dichroism(XMCD)

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Terahertz technology in intraoperative neurodiagnostics:A review

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Opto-Electronic Advances 2023年第5期6卷 41-67页

作者： Nikita v.Chernomyrdin Guzel R.Musina Pavel v.Nikitin Irina N.Dolganova Anna S.Kucheryavenko Anna I.Alekseeva Yuye Wang Degang Xu Qiwu Shi valery v.Tuchin kirill I.Zaytsev Prokhorov General Physics Institute of the Russian Academy of Sciences Moscow 119991Russia Bauman Moscow State Technical University Moscow 105005Russia Institute for Regenerative Medicine Sechenov UniversityMoscow 119991Russia Institute of Solid State Physics of the Russian Academy of Sciences Chernogolovka 142432Russia Research Institute of Human Morphology Moscow 117418Russia School of Precision Instrument and Optoelectronic Engineering Tianjin UniversityTianjin 300000China College of Materials Science and Engineering Sichuan UniversityChengdu 610000China Science Medical Center Saratov State UniversitySaratov 410012Russia Institute of Precision Mechanics and Control FRC"Saratov Scientific Centre of the Russian Academy of Sciences"Saratov 410028Russia

Terahertz(THz)technology offers novel opportunities in biology and medicine,thanks to the unique features of THzwave interactions with tissues and *** them,we particularly notice strong sensitivity of THz waves to the tissue water,as a medium for biochemical reactions and a main endogenous marker for THz spectroscopy and *** of the brain have an exceptionally high content of *** factor,along with the features of the structural organization and biochemistry of neuronal and glial tissues,makes the brain an exciting subject to study in the THz *** this paper,progress and prospects of THz technology in neurodiagnostics are overviewed,including diagnosis of neurodegenerative disease,myelin deficit,tumors of the central nervous system(with an emphasis on brain gliomas),and traumatic brain *** and applied challenges in study of the THz-wave–brain tissue interactions and development of the THz biomedical tools and systems for neurodiagnostics are discussed.

关键词： THz technology THz spectroscopy and imaging superresolution imaging biophotonics brain neurodiagnosis tumor glioma neurodegenerative diseases brain injury light scattering

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Prediction of van Hove singularity systems in ternary borides

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npj Computational Materials 2023年第1期9卷 247-257页

作者： Yang Sun Zhen Zhang Andrew P.Porter kirill Kovnir Kai-Ming Ho vladimir Antropov Department of Physics Xiamen University361005 XiamenChina Department of Physics and Astronomy Iowa State UniversityAmesIA 50011USA Department of Chemistry Iowa State UniversityAmesIA 50011USA Ames National Laboratory U.S.Department of EnergyAmesIA 50011USA

A computational search for stable structures among bothαandβphases of ternary ATB4 borides(A=Mg,Ca,Sr,Ba,Al,Ga,and Zn,T is 3d or 4d transition elements)has been *** found thatα-ATB4 compounds with A=Mg,Ca,Al,and T=v,Cr,Mn,Fe,Ni,and Co form a family of structurally stable or almost stable *** systems are metallic in non-magnetic states and characterized by the formation of the localized molecular-like state of 3d transition metal atom dimers,which leads to the appearance of numerous van Hove singularities in the electronic *** closeness of such singularities to the Fermi level can be easily tuned by electron *** the atoms in the middle of the 3d row(Cr,Mn,and Fe),these singularities led to magnetic instabilities and magnetic ground states with a weakly metallic or semiconducting *** states appear as non-trivial coexistence of the different spin ladders formed by magnetic dimers of 3d *** magnetic states can be characterized as an analog of the spin glass *** attempts to produce MgFeB4 and associated challenges are discussed,and promising directions for further synthetic studies are formulated.

关键词： metallic ternary magnetic

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A NUMERICAL METHOD FOR THE SIMULATION OF FREE SURFACE FLOWS OF vISCOPLASTIC FLUID IN 3D

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Journal of Computational Mathematics 2011年第6期29卷 605-622页

作者： kirill D. Nikitin Maxim A. Olshanskii kirill M. Terekhov Yuri v. vassilevski Institute of Numerical Mathematics Russian Academy of Sciences Moscow Russia Department of Mechanics and Mathematics Moscow State University Moscow Russia

In this paper we study a numerical method for the simulation of free surface flows of viscoplastic （Herschel-Bulkley） fluids. The approach is based on the level set method for capturing the free surface evolution and on locally refined and dynamically adapted octree cartesian staggered grids for the discretization of fluid and level set equations. A regu- larized model is applied to handle the non-differentiability of the constitutive relations. We consider an extension of the stable approximation of the Newtonian flow equations on staggered grid to approximate the viscoplastic model and level-set equations if the free boundary evolves and the mesh is dynamically refined or coarsened. The numerical method is first validated for a Newtonian case. In this case, the convergence of numerical solutions is observed towards experimental data when the mesh is refined. Further we compute several 3D viscoplastic Herschel-Bulkley fluid flows over incline planes for the dam-break problem. The qualitative comparison of numerical solutions is done versus experimental investigations. Another numerical example is given by computing the freely oscillating viscoplastic droplet, where the motion of fluid is driven by the surface tension forces. Altogether the considered techniques and algorithms （the level-set method, compact discretizations on dynamically adapted octree cartesian grids, regularization, and the surface tension forces approximation） result in efficient approach to modeling viscoplastic free-surface flows in possibly complex 3D geometries.

关键词： Free surface flows viscoplastic fluid Adaptive mesh refinement Oetree meshes.

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LIvE IMAGING OF EARLY DEvELOPMENTAL PROCESSES IN MAMMALIAN EMBRYOS WITH OPTICAL COHERENCE TOMOGRAPHY

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Journal of Innovative Optical Health Sciences 2009年第3期2卷 253-259页

作者： kirill v.LARIN IRINA v.LARINA MICHAEL LIEBLING MARY E.DICKINSON Department of Biomedical Engineering University of Houston HoustonTXUSA Department of Molecular Physiology and Biophysics Baylor College of Medicine HoustonTXUSA Department of Electrical and Computer Engineering University of California Santa BarbaraCAUSA

Early embryonic imaging of cardiovascular development in mammalian models requires a methodthat can penetrate through and distinguish the many tissue layers with high spatial and temporalresolution. In this paper we evaluate the capability of Optical Coherence Tomography (OCT)technique for structural 3D embryonic imaging in mouse embryos at different stages of thedevelopmental process ranging from 7.5 dpc up to 10.5 dpc. Obtained results suggest that thecollected data is suitable for quantitative and qualitative measurements to assess cardiovascularfunction in mouse models, which is likely to expand our knowledge of the complexity of theembryonic heart, and its development into an adult heart.

关键词： Optical Coherence Tomography non-invasive mouse embryos cardiovascular function.

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