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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

The Value of Traditional Medicine Should not be Underestimated-Traditional Chinese Medicine in Treatment of Autoimmune Diseases

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Chinese Medicine and Culture 2024年第2期7卷 167-173页

作者： Yurii O novikov Anait P Akopyan Bashkir State Medical University Republic of BashkortostanRussia 450008

Autoimmune diseases of the nervous system(ADNS)are characterized by the formation of a pronounced neurologic deficit and often lead to *** attention of doctors and researchers is increasingly attracted by complementary medicine as adjuvant or preventive therapy for various diseases,including autoimmune *** Chinese medicine(TCM)is a combination of treatment methods that include acupuncture,herbal medicine,dietetics,physical exercises,and other methods that are often used in conjunction with recognized approaches of official medical *** article describes the application of TCM techniques in autoimmune diseases of the nervous system,and demonstrates clinical experience in the use of acupuncture,herbal medicine,diets and physical *** and complementary medicine is an important and often underestimated healthcare resource,especially in the prevention and treatment of autoimmune diseases of the nervous system.

关键词： Autoimmune diseases Traditional Chinese medicine Nervous diseases

Gravitational Waves Background, as Well as Some UFO, FRB and Supernova Flares, Are Due to Compressibility of the Spacetime (CoST)

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Journal of High Energy Physics, Gravitation and Cosmology 2024年第1期10卷 67-70页

作者： Evgeny A. novikov BioCircuits Institute University of California-San Diego LaJolla CA USA

The recently observed gravitational wave background is explained in terms of the quantum modification of the general relativity (Qmoger). Some UFO, FRB and supernova flares also can be explained in terms of Qmoger.

关键词： Gravitational Wave Background Quantum Modification of the General Relativity Compressibility of the Spacetime (CoST)

Current systematic reviews and meta-analyses of COVID-19

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World Journal of Virology 2021年第4期10卷 182-208页

作者： Mahmoud Nassar Nso Nso Mostafa Alfishawy anastasia novikov Salim Yaghi Luis Medina Bahtiyar Toz Sofia Lakhdar Zarwa Idrees Yungmin Kim Dawa Ongyal Gurung Raheel S Siddiqui David Zheng Mariam Agladze Vikram Sumbly Jasmine Sandhu Francisco Cuevas Castillo Nadya Chowdhury Ravali Kondaveeti Sakil Bhuiyan Laura Guzman Perez Riki Ranat Carlos Gonzalez Harangad Bhangoo John Williams Alaa Eldin Osman Joyce Kong Jonathan Ariyaratnam Mahmoud Mohamed Ismail Omran Mariely Lopez Akwe Nyabera Ian Landry Saba Iqbal Anoosh Zafar Gondal Sameen Hassan Ahmed Daoud Bahaaeldin Baraka Theo Trandafirescu Vincent Rizzo Department of Internal Medicine Icahn School of Medicine at Mount Sinai/NYC H&H QueensNew YorkNY 11432United States Department of Infectious Diseases Infectious Diseases Consultants and Academic Researchers of Egypt(IDCARE)Cairo 11221Outside of the USEgypt Department of Medicine Division of NephrologyUniversity of Tennessee Health Science CenterKnoxville CityTN 38103United States Department of Medical St.George's UniversityWest Indies 38901Grenada Department of Internal Medicine Faculty of MedicineCairo UniversityCairo 11221Egypt Department of Oncology Broomfiled HospitalMid and South Essex NHS Foundation TrustESSEXChelmsford 12422United Kingdom Department of Critical Care Unit Icahn School of Medicine at Mount Sinai/NYC H&H QueensNew YorkNY 11432United States

BACKGROUND Coronavirus disease 2019(COVID-19)has left a significant impact on the world's health,economic and political systems;as of November 20,2020,more than 57 million people have been infected worldwide,with over 1.3 million *** the global spotlight is currently focused on combating this pandemic through means ranging from finding a treatment among existing therapeutic agents to inventing a vaccine that can aid in halting the further loss of *** To collect all systematic reviews and meta-analyses published related to COVID-19 to better identify available evidence,highlight gaps in knowledge,and elucidate further meta-analyses and umbrella reviews that are yet to be *** We explored studies based on systematic reviews and meta-analyses with the keyterms,including severe acute respiratory syndrome(SARS),SARS virus,coronavirus disease,COVID-19,and SARS *** included studies were extracted from Embase,Medline,and Cochrane *** publication timeframe of included studies ranged between January 01,2020,to October 30,*** that were published in languages other than English were not considered for this systematic *** finalized full-text articles are freely accessible in the public *** Searching Embase,Medline,and Cochrane databases resulted in 1906,669,and 19 results,respectively,that comprised 2594 studies.515 duplicates were subsequently removed,leaving 2079 *** inclusion criteria were systematic reviews or meta-analyses.860 results were excluded for being a review article,scope review,rapid review,panel review,or guideline that produced a total of 1219 *** screening articles were categorized,the included articles were put into main groups of clinical presentation,epi-demiology,screening and diagnosis,severity assessment,special populations,and ***,there was a second subclassification into the following groups:gastrointestinal,cardiovascular,neurological,stro

关键词： Systematic review Meta-analyses COVID-19 Review Coronavirinae

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

Equilibrium modeling of water-gas systems in Jurassic–Cretaceous reservoirs of the Arctic petroleum province, northern West Siberia

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Petroleum Exploration and Development 2022年第2期49卷 363-373页

作者： novikov Dmitry Anatolievich Trofimuk Institute of Petroleum Geology and Geophysics of Siberian Branch of Russian Academy of Sciences(IPGG SBRAS) Avenue Kop-tyuga3Novosibirsk 630090Russia Novosibirsk State University Str.Pirogova1Novosibirsk 630090Russia

To reveal the equilibrium state of oil and gas and water in a petroliferous basin with a high content of saline water, calculations of water-gas equilibrium were carried out, using a new simulation method, for the Arctic territories of the West Siberian oil and gas bearing province. The water-bearing layers in this area vary widely in gas saturation and have gas saturation coefficients(C;) from 0.2 to 1.0. The gas saturation coefficient increases with depth and total gas saturation of the formation water. All the water layers with gas saturation bigger than 1.8 L/L have the critical gas saturation coefficient value of 1.0, which creates favorable conditions for the accumulation of hydrocarbons;and unsaturated formation water can dissolve gas in the existent pool. The gas saturation coefficient of formation water is related to the type of fluid in the reservoir. Condensate gas fields have gas saturation coefficients from 0.8 to 1.0, while oil reservoirs have lower gas saturation coefficient. Complex gas-water exchange patterns indicate that gas in the Jurassic–Cretaceous reservoirs of the study area is complex in origin.

关键词： water-gas system hydrocarbon accumulations Jurassic–Cretaceous oil reservoir West Siberia Arctic petroleum province

Geothermal Model of the Fore-Yenisey Sedimentary Basin——Transitional Structure between the Ancient Siberian Platform and the Young West Siberian Plate

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Acta Geologica Sinica(English Edition) 2022年第2期96卷 582-590页

作者： Dmitriy novikov Fedor DULTSEV Yuriy FILIPPOV Trofimuk Institute of Petroleum Geology and Geophysics SB RASNovosibirsk 630090Russia Novosibirsk State University Novosibirsk 630090Russia

Results of the investigation into the geothermal regime of the Fore-Yenisey sedimentary basin, formed during the collision and subsidence of the Kas-Turukhan microcontinent and the western margin of the Siberian craton in the late Neoproterozoic and early Paleozoic are reported. It was established that the structural and geothermal conditions of the upper Precambrian–Paleozoic sections are similar to those in the western regions of the Siberian platform and are characterized by rather low geothermal gradients(12.5–25.5 ℃/km). In the western parts of the basin, formation temperatures in the uppermost pre-Jurassic sediments are 50℃–85℃, decreasing eastward to 30℃–55℃. For the first time, the detailed geothermal model of the basin sedimentary fill was developed. This model allows predictions of the geothermal conditions of Earth’s interior.

关键词： geothermal model formation temperature Fore-Yenisey sedimentary basin West Siberia

Mud volcano origin of the Mottled Zone,South Levant

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Geoscience Frontiers 2013年第5期4卷 597-619页

作者： Igor novikov Yevgeny Vapnik Inna Safonova Institute of Geology and Mineralogy SB RAS Koptuyga Ave.3Novosibirsk 630090Russia Department of Geological and Environmental Sciences Ben-Gurion University of the NegevP.O.B.653Beer-Sheva 84105Israel

The Mottled Zone（MZ） or Hatrurim Formation,which occurs near the Levantine Transform in the South Levant,has been studied during the last 150 years but its origin remains *** Zone Complex/Complexes（MZC/MZCs） consist of brecciated carbonate and low-temperature calcium-hydro-silicate rocks,which include unusual high- and ultra-high-temperature low-pressure（HT-LP） meta-morphic mineral *** MZ has been regarded as a product of combustion of bituminous chalks of the Ghareb *** Cretaceous（Maastrichtian） *** this paper we present detailed geographic, geomorphologic,structural and geological data from the MZCs of the South Levant,which show that the MZCs cannot be stratigraphically correlated with the Ghareb Fm.,because MZC late Oligocene-late Pleistocene deposits occur within or unconformable i.e.,with stratigraphic hiatus,overlap both the late Cretaceous and,in places,Neogene stratigraphic *** propose an alternative model for the formation of MZCs by tectonically induced mud volcanism during late Oligocene-late Pleistocene time. This model explains（i） the presence of dikes and tube-like bodies,which consist of brecciated exotic clastic material derived from stratigraphically and hypsometrically lower horizons;（ii） mineral assemblages of sanidinite facies metamorphism;（iii） multi-stage character of HT-LP pyrometamorphism;and （iv） multi-stage low-temperature hydrothermal *** temperatures（up to 1500℃） mineral assemblages resulted from combustion of hydrocarbon gases of mud *** volcanism was spatially and structurally related to neotectonic folds and deformation zones formed in response to opening of the Red Sea rift and propagation of the Levantine Transform *** model may significantly change the prospects for oil-and-gas deposits in the region.

关键词： HT-LP sanidinite facies metamorphism Geomorphology Dead Sea Levantine Transform Neotectonics Hydrocarbon traps

Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states 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 Grabowski Fritz Körmann Alexander Shapeev Skolkovo Institute of Science and Technology Skolkovo Innovation CenterNobel St.3Moscow143026Russia Institute for Materials Science University of StuttgartPfaffenwaldring 5570569StuttgartGermany Computational Materials Design Max-Planck-Institut für Eisenforschung GmbHD-40237DüsseldorfGermany Materials Science and Engineering Delft University of Technology2628 CDDelftThe Netherlands

We present the magnetic Moment Tensor Potentials(mMTPs),a class of machine-learning interatomic potentials,accurately reproducing both vibrational and magnetic degrees of freedom as provided,e.g.,from first-principles *** accuracy is achieved by a two-step minimization scheme that coarse-grains the atomic and the spin *** performance of the mMTPs is demonstrated for the prototype magnetic system bcc iron,with applications to phonon calculations for different magnetic states,and molecular-dynamics simulations with fluctuating magnetic moments.

关键词： magnetic fluctuating states