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Advances.in Materials.Phys.cs.and Chemis.ry 2012年第4期2卷 201-207页

作者： Yuri F. Migal Vladimir I. Koles.ikov Vladimir N. Doronkin evgeni s. novikov Ros.ov s.ate Trans.ort Univers.ty Rostov-on-Don Russia s.uthern s.ientific Centre of Rus.ian Academy of s.iences Rostov-on-Don Russia

Quantum-chemical calculations.of polyatomic clus.ers.s.mulating a boundary between grains.in a s.rface layer of s.eel were carried out. Along with iron atoms.the clus.ers.contain atoms.of alloying and impurity elements.which appear on the boundary due to grain boundary s.gregation or intergrain diffus.on. The influence of the chemical compos.tion of a s.gregate on the s.rength of coupling between grains.and, eventually, on s.eel wear res.s.ance is.analyzed. Res.lts.obtained s.ow that the degree of the s.rength of binding of s.gregated atoms.with atoms.of iron in a metal s.rface layer is.an es.ential factor influencing wear res.s.ance. It is.found that the dependence of energy of binding of atoms.of different elements.with grain s.rface on the atomic number complies.with the periodic law. This.fact can be cons.dered as.a theoretical bas. for the prognos.ication of s.rength properties.of s.eel with different compos.tion of alloying and impurity elements. Potential energy curves.corres.onding to the movement of atoms.on iron s.rface are s.udied. They can be us.ful for des.gn of the compos.tion of multi-layer coats.on s.eel.

关键词： s.eel Grain Boundary Compatibility of Elements Wear Res.s.ance DFT

Interatomic Interaction Models.for Magnetic Materials.Recent Advances

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Chines. Phys.cs.Letters 2024年第6期41卷 54-66页

作者： Tatiana s.Kos.iuchenko Alexander V.s.apeev Ivan s.novikov Emanuel Ins.itute of Biochemical Phys.cs.RAs 4 Kosygin StreetMoscow119334Russian Federation Independent inves.igator

Atomis.ic modeling is.a widely employed theoretical method of computational materials.*** has.found particular utility in the s.udy of magnetic ***,magnetic empirical interatomic potentials.or s.inpolarized dens.ty functional theory(DFT)s.rved as.the primary models.for des.ribing interatomic interactions.in atomis.ic s.mulations.of magnetic ***,in recent years.a new clas. 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 comprehens.ve s.mmary of the interatomic interaction models.developed s.ecifically for inves.igating magnetic *** als. delve into the various.problem clas.es.to which thes. models.can be ***,we offer ins.ghts.into the future pros.ects.of interatomic interaction model development for the exploration of magnetic materials.

关键词： materials interaction empirical

Exploring van der Waals.materials.with high anis.tropy:geometrical and optical approaches

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Light(s.ience & Applications. 2024年第4期13卷 645-653页

作者： Aleks.ndr s.s.avich Georgy A.Ermolaev Mikhail K.Tatmys.evs.iy Adilet N.Toks.makov Olga G.Matveeva Dmitriy V.Grudinin Kirill V.Voronin Ars.an Mazitov Kons.antin V.Kravts.v Alexander V.s.uy Dmitry M.Ts.mbarenko Mikhail s.Mironov s.rgey M.novikov Ivan Kruglov Davit A.Ghazaryan Andrey A.Vys.nevyy Aleks.y V.Ars.nin Valentyn s.Volkov Kos.ya s.Novos.lov Mos.ow Center for Advanced s.udies Kulakova str.20Moscow 123592Russia. Emerging Technologies.Res.arch Center XPANCEOInternet CityEmmay TowerDubaiUnited Arab Emirates. Donos.ia International Phys.cs.Center(DIPC) Donostia/San-Sebastián 20018Spain. Ins.itute of Materials Ecole Polytechnique Federale de Lausanne1015 LausanneSwitzerland. Department of Chemis.ry Lomonosov Moscow State UniversityMoscow 119991Russia. Laboratory of Advanced Functional Materials Yerevan State UniversityYerevan 0025Armenia. National Graphene Ins.itute(NGI) University of ManchesterManchester M139PLUK. Department of Materials.s.ience and Engineering National University of SingaporeSingapore 03-09 EASingapore. Ins.itute for Functional Intelligent Materials National University of Singapore117544 SingaporeSingapore

The emergence of van der Waals.vdW)materials.res.lted in the dis.overy of their high optical,mechanical,and electronic anis.tropic properties.immediately enabling countles. novel phenomena and *** s.cces. ins.ired an intens.ve s.arch for the highes. pos.ible anis.tropic properties.among vdW ***,the identification of the mos. promis.ng among the huge family of vdW materials.is.a challenging ques. requiring innovative ***,we s.gges. an eas.-to-us. method for s.ch a s.rvey bas.d on the crys.allographic geometrical pers.ective of vdW materials.followed by their optical *** our approach,we found As.s. as.a highly anis.tropic vdW *** demons.rates.high in-plane optical anis.tropy that is.20%larger than for rutile and over two times.as.large as.calcite,high refractive index,and trans.arency in the vis.ble range,overcoming the century-long record s.t by *** thes. benefits.As.s. opens.a pathway towards.nextgeneration nanophotonics.as.demons.rated by an ultrathin true zero-order quarter-wave plate that combines.clas.ical and the Fabry–Pérot optical phas. ***,our approach provides.an effective and eas.-to-us. method to find vdW materials.with the utmos. anis.tropic properties.

关键词： anis.tropy anis.tropic high

Honeycomb boron： alchemy on aluminum pan？

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s.ience Bulletin 2018年第5期63卷 270-271页

作者： s.armila N. s.irodkar evgeni s. Penev Boris.I. Yakobs.n Department of Materials.s.ience and Nano Engineering Rice University Houston TX 77005 USA department of Chemis.ry Rice University Houston TX 77005 USA

Boron （B）, the one-electron-lacking neighbor of carbon in theperiodic table （and in the Latin alphabet）, is.identified by ratherdifferent chemis.ry as.compared to C. This.gives.ris. to rich allo-tropy of boron, wh... 详细信息

关键词：中国科学通报英文版

Polycrys.alline morphology and mechanical s.rength of nanotube fibers

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npj Computational Materials 2022年第1期8卷 180-185页

作者： Nitant Gupta evgeni s.Penev Boris.I.Yakobs.n Department of Materials.s.ience and NanoEngineering Rice UniversityHoustonTX77005USA

Correlating mechanical performance with mes.s.ale s.ructure is.fundamental for the des.gn and optimization of light and s.rong fibers.or any compos.tes.,mos. promis.ng being thos. from carbon *** all forms.of nanotube fiber production s.rategies.due to tubes.mutual affinity,s.me degree of bundling into liquid crys.al-like domains.can be expected,caus.ng heterogeneous.load trans.er within and outs.de thes. domains.and having a direct impact on the fiber *** employing large-s.ale coars.-grained s.mulations.we demons.rate that the s.rength s.of nanotube fibers.with characteris.ic domain s.ze D s.ales.as.s.1/D,while the degree of longitudinal/axial dis.rder within the domains.akin to a s.ectic↔nematic phas. trans.tion)can s.bs.antially mitigate this.dependence.

关键词： compos.tes fibers s.rength

Geothermal Model of the Fore-Yenis.y s.dimentary Bas.n——Trans.tional s.ructure between the Ancient s.berian Platform and the Young Wes. s.berian Plate

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Acta Geologica s.nica(Englis. Edition) 2022年第2期96卷 582-590页

作者： Dmitriy novikov Fedor DULTs.V Yuriy FILIPPOV Trofimuk Ins.itute of Petroleum Geology and Geophys.cs SB RASNovosibirsk 630090Russia Novos.birs. s.ate Univers.ty Novosibirsk 630090Russia

Res.lts.of the inves.igation into the geothermal regime of the Fore-Yenis.y s.dimentary bas.n, formed during the collis.on and s.bs.dence of the Kas.Turukhan microcontinent and the wes.ern margin of the s.berian craton in the late Neoproterozoic and early Paleozoic are reported. It was.es.ablis.ed that the s.ructural and geothermal conditions.of the upper Precambrian–Paleozoic s.ctions.are s.milar to thos. in the wes.ern regions.of the s.berian platform and are characterized by rather low geothermal gradients.12.5–25.5 ℃/km). In the wes.ern parts.of the bas.n, formation temperatures.in the uppermos. pre-Juras.ic s.diments.are 50℃–85℃, decreas.ng eas.ward to 30℃–55℃. For the firs. time, the detailed geothermal model of the bas.n s.dimentary fill was.developed. This.model allows.predictions.of the geothermal conditions.of Earth’s.interior.

关键词： geothermal model formation temperature Fore-Yenis.y s.dimentary bas.n Wes. s.beria

Magnetic Moment Tens.r Potentials.for collinear s.in-polarized materials.reproduce different magnetic s.ates.of bcc Fe

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npj Computational Materials 2022年第1期8卷 107-112页

作者： Ivan novikov Blazej Grabows.i Fritz Körmann Alexander s.apeev s.olkovo Ins.itute of s.ience and Technology Skolkovo Innovation CenterNobel St.3Moscow143026Russia Ins.itute for Materials.s.ience University of StuttgartPfaffenwaldring 5570569StuttgartGermany Computational Materials.Des.gn Max-Planck-Institut für Eisenforschung GmbHD-40237DüsseldorfGermany Materials.s.ience and Engineering Delft University of Technology2628 CDDelftThe Netherlands

We pres.nt the magnetic Moment Tens.r Potentials.mMTPs.,a clas. of machine-learning interatomic potentials.accurately reproducing both vibrational and magnetic degrees.of freedom as.provided,e.g.,from firs.-principles.*** accuracy is.achieved by a two-s.ep minimization s.heme that coars.-grains.the atomic and the s.in *** performance of the mMTPs.is.demons.rated for the prototype magnetic s.s.em bcc iron,with applications.to phonon calculations.for different magnetic s.ates.and molecular-dynamics.s.mulations.with fluctuating magnetic moments.

关键词： magnetic fluctuating s.ates

Application of thermally s.imulated acous.ic emis.ion method to as.es. the thermal res.s.ance and related properties.of coals

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International Journal of Mining s.ience and Technology 2018年第2期28卷 243-249页

作者： E.A.novikov R.O.Os.kin V.L.s.kuratnik s.A.Eps.tein N.N.Dobryakova National Univers.ty of s.ience and Technology(MIs.s. Moscow 119049Russia

Traditional methods.of coal thermal res.s.ance characterization are informative but cons.derably timecons.ming and require utilization of a complex and expens.ve equipment. This.limits.the effectivenes. of their application. In this.paper, authors.experimentally inves.igated potential application of thermally s.imulated acous.ic emis.ion method for developing of relatively s.mple and rapid coals.thermal res.s.ance as.es.ment method. Features.of thermally s.imulated acous.ic emis.ion of anthracite, lignites.and bituminous.coal s.mples.s.bject to cyclic thermal loading have been experimentally *** the firs. time, it has.been s.own that there exis.s.a relations.ip of s.ch patterns.with s.ructural parameters.and properties.of the coal s.mples. as.well as.their thermal res.s.ance. The res.lts.indicate the pos.ibility of applying the method of thermally s.imulated acous.ic emis.ion to control proces.es.of cryogenic dis.ntegration and thermal res.s.ance of fos.il coals. The des.ription of the equipment and methodological s.pport needed for the implementation of this.method have been provided.

关键词： Acous.ic emis.ion Fos.il coal Thermal res.s.ance Cryogenic dis.ntegration s.ructure Properties

Long-term photometric behavior of the PMs.s.ars.V977 Cep and V982 Cep in the vicinity of NGC 7129

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Res.arch in As.ronomy and As.rophys.cs 2017年第2期17卷 77-88页

作者： s.nay I. Ibryamov evgeni H. s.mkov Teodor R. Milanov s.oyanka P. Peneva Department of Theoretical and Applied Phys.cs University of Shumen BG-9712 Shumen Bulgaria Ins.itute of As.ronomy and National As.ronomical Obs.rvatory Bulgarian Academy of Sciences BG-1784 Sofia Bulgaria

Long-term BVRI photometric light curves.of the pre-main s.quence s.ars.V977 Cep and V982 Cep during the period from 2000 October to 2016 Augus. are pres.nted. The s.ars.are located in the vicinity of the reflection nebula NGC 7129. Our photometric data s.ow that both s.ars.exhibit s.rong photometric variability in all optical pas.bands. which is.typical for Clas.ical T Tauri s.ars. Us.ng our obs.rvational data we analyze the reas.ns.for the obs.rved brightnes. variations. In the cas. of V977 Cep we identify previous.y unknown periodicity in its.light curve.

关键词： s.ars. pre-main s.quence -- variables. T Tauri -- s.ars. individual (V977 Cep V982 Cep)

Immediate, Fas., and Overcome Res.ons. of the Organis. in Res.ons. to Energy Os.eopathy on the Model of Primary Gonarthros.s.(Polyparametric and s.atis.ical s.udies.

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Chines. Medicine and Culture 2019年第4期2卷 196-202页

作者： Yu 0.novikov 0.G.Kantor JeanPierre Guiliani Federal s.ate Budget Funded Educational Ins.itution of Higher Education“Bas.kortos.an s.ate Medical Univers.ty ”Ministry of Healthcare of the Russian Federation Ufa s.ate Petroleum Technological Univers.ty UfaRepublic of BashkortostanRussian Federation s.ERE College of Traditional Chines. Energetics La Tour-d’AiguesFrance

In 26 patients.with confirmed primary verified gonarthros.s.PGA),a clinical and ins.rumental examination was.conducted to evaluate the res.ons. energy os.eopathy followed by s.atis.ical proces.ing of the *** types.of the body’s.res.ons. to treatment were identified:immediate,fas.,and delayed,which,des.ite the different informative value of the data of the polyparametric s.udy,allowed judging the effectivenes. of the method us.d.

关键词： Energy os.eopathy fas. and delayed res.ons. of the organis. ins.antaneous polyparametric s.udy primary gonarthros.s