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Numerical Modeling of the Initial Formation of Cyclonic v.rtices at Tropical Latitudes

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Atmospheric and Climate Sciences 2014年第5期4卷 899-906页

作者： Igor v. mingalev Natalia M. Astafiev. Konstantin G. Orlov.v.ctor S. mingalev oleg v. mingalev v.lery M. Chechetkin Polar Geophysical Institute Kola Scientific Center of the Russian Academy of Sciences Apatity Russia Space Research Institute of the Russian Academy of Sciences Moscow Russia Keldysh Institute of Applied Mathematics of the Russian Academy of Sciences Moscow Russia

To inv.stigate the initial formation of large-scale v.rtices at tropical latitudes a regional non-hydrostatic mathematical model of the wind system of the lower atmosphere, dev.loped earlier in the Polar Geophysical Institute, is utilized. Three-dimensional distributions of the atmospheric parameters in the height range from 0 to 15 km ov.r a limited region of the Earth’s surface are produced by the utilized model. Simulations are performed for the case when the limited three-dimensional simulation domain is intersected by an intertropical conv.rgence zone in the west-east direction. Simulation results indicated that the origin of two conv.xities in the north direction in the configuration of the intertropical conv.rgence zone can lead to the formation of three distinct tropical cyclones during the period of about four days.

关键词： Numerical Simulation Air Flow Lower Atmosphere Tropical Cyclones

Geochemistry of Thermal Waters of Continental Margin of Far East of Russia

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Acta Geologica Sinica(English Edition) 2016年第1期90卷 276-284页

作者： Iv.n v. BRAGIN Georgy A. CHELNOKOv.oleg v. CHUDAEv.Natalia A. KHARITONOv. Sergey v. v.SOTSKIY Far East Geological Institute Russian Academy of SciencesVladivostok690022 Russia Moscow State Univ.rsity Moscow119991 Russia Far East Federal Univ.rsity Vladivostok690922 Russia

Studied waters belong to warm （T=30-50℃）, alkaline （pH=8.9-9.3）, low mineralized （TDS〈235 mg/l） Na-HCO3 or Na-SO4-HCO3 thermal waters with high content of SiO2 （up to 81 mg/1） and F （up to 3.9 mg/l）, occur on modern v.lcano-tectonic rejuv.nated areas of Eastern Sikhote-Alin orogenic belt. Low 3He concentration as well as N2/O2 and N2/Ar ratios exclude influence of deep mantle fluid. New rare earth element data constrain our understanding of water-rock interaction occurring in the water source region. Meteoric origin of waters is prov.d by stable isotope v.lues v.rying from -71%o to -136.1‰ and from -10.8‰ to -18.8%o for δ^2H and δ^18O respectiv.ly. REE patterns reflect high pH, resultfing from water-rock interaction and oxidativ. conditions. Calculations of deep aquifer temperature using Na-K and quartz geothermometers show 116.8-131.1℃ and 82.2-125.8℃ respectiv.ly. Presence of deep faults both with abnormal thermal gradient （-45- 50 K/km） define unique geochemical shape of thermal waters of Sikhote-Alin, area, where no present v.lcanic activ.ty is registered.

关键词： thermal waters water-rock interaction stable water isotopes rare earth elements in thermal waters

A Computational Study of the Transformation of Global Gas Flows in the Earth’s Atmosphere ov.r the Course of a Year

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Open Journal of Fluid Dynamics 2014年第4期4卷 379-402页

作者： Igor v. mingalev Konstantin G. Orlov.v.ctor S. mingalev Polar Geophysical Institute of the Kola Scientific Center Russian Academy of Sciences Apatity Murmansk Region Russia

A mathematical model, dev.loped earlier in the Polar Geophysical Institute, is applied to inv.stigate the transformation of global gas flows in the Earth’s atmosphere ov.r the course of a year. The model is based on the numerical solution of the system of gas dynamic equations. The mathematical model produces three-dimensional distributions of the gas dynamic parameters of the atmosphere in the height range from 0 to 126 km ov.r the Earth’s surface. To inv.stigate the seasonal transformation of the global circulation of the lower and middle atmosphere, simulations are performed for conditions corresponding to twelv. dates, which belong to twelv. different months. Results of simulations indicate that the v.riations of the solar illumination of the Earth’s atmosphere, conditioned by different positions of the Earth along its trajectory around the Sun, influence considerably the transformation of the planetary circulation of the lower and middle atmosphere ov.r the course of a year.

关键词： Numerical Simulation Air Flow Lower and Middle Atmosphere

Results of Numerical Modeling of the Origin of Cyclones and Anticyclones in the v.cinity of the Intertropical Conv.rgence Zone

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Atmospheric and Climate Sciences 2019年第2期9卷 213-228页

作者： Igor v. mingalev Konstantin G. Orlov.v.ctor S. mingalev Polar Geophysical Institute Russian Academy of Sciences Apatity Russia

A rev.ew of simulation results, dev.ted to time-dependent modeling of the initial stage of the formation of large-scale v.rtices in the troposphere in the v.cinity of the intertropical conv.rgence zone, is presented. The simulation results were obtained not long ago with the help of the mathematical model of the neutral wind system of the lower atmosphere, dev.loped earlier in the Polar Geophysical Institute. The utilized mathematical model produces three-dimensional distributions of the atmospheric parameters in the height range from 0 to 15 km ov.r a limited region of the Earth’s surface. Simulation results were obtained for the case when the limited three-dimensional simulation domain, situated at low latitudes, is intersected by an intertropical conv.rgence zone in the west-east direction. The rev.ewed simulation results were obtained for v.rious initial configurations of the intertropical conv.rgence zone. Results of numerical modeling hav. indicated that the origin of conv.xities in the form of the intertropical conv.rgence zone can lead to the formation of different large-scale v.rtices in the lower atmosphere, in particular, a tropical cyclone, pair of cyclonic v.rtices, pair of cyclonic-anticyclonic v.rtexes, and triplet of cyclonic v.rtices. The simulation results, obtained earlier and presented indiv.dually in v.rious editions, are rev.ewed and summarized in the present paper. A physical mechanism, responsible for the formation of the simulated large-scale v.rtices in the v.cinity of the intertropical conv.rgence zone, is discussed.

关键词： Numerical Simulation Air Flow Lower Atmosphere Tropical Cyclones

Numerical Modeling of the Influence of the Relief of a Planet on the Global Circulation of the Earth’s Stratosphere and Mesosphere

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Atmospheric and Climate Sciences 2017年第4期7卷 496-510页

作者： Igor v. mingalev Konstantin G. Orlov.v.ctor S. mingalev Polar Geophysical Institute Russian Academy of Sciences Murmansk Region Russia

An inv.stigation of the influence of the relief of a planet on the global circulation of the Earth’s atmosphere is an important problem. Beyond doubt, mountains affect the global circulation of the troposphere, howev.r, their influence on the global circulation of the stratosphere and mesosphere is not ev.dent. In the present study, to inv.stigate the influence of the relief of a planet on the global circulation of the Earth’s stratosphere and mesosphere, the non-hydrostatic mathematical model, dev.loped earlier in the Polar Geophysical Institute, is utilized. Calculations were made for two distinct cases. The relief of the planet was taken into account for the first case. Unlike, the Earth’s surface was assumed to be smooth for the second case. Simulations were performed for the winter period in the northern hemisphere (January). Simulation results, obtained for both considered cases, are qualitativ.ly similar at the lev.ls of stratosphere and mesosphere, howev.r, some noticeable distinctions exist. The horizontal domains exist, where the simulated horizontal and v.rtical components of the neutral wind v.locity, obtained for two considered cases, differ noticeably at the lev.ls of the stratosphere and mesosphere. Some of these horizontal domains are not connected with positions of mountains at the Earth’s surface. On the contrary, some of these horizontal domains are situated abov. mountains.

关键词： Numerical Simulation Stratosphere Mesosphere Global Circulation

Recent theoretical progress in the dev.lopment of perov.kite photov.ltaic materials

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Journal of Energy Chemistry 2018年第3期27卷 637-649页

作者： Xin Zhou Joanna Jankowska Hao Dong oleg v.Prezhdo College of Env.ronment and Chemical Engineering Dalian University.Dalian 116622.LiaoningChina Department of Chemistry University of Southern CaliforniaLos Angeles 90089California.United States Institute of Physics.Polish Academy of Sciences Warsaw 02-668.Poland School of Chemistry and Chemical Engineering Liaoning Normal UniversityDalian 116029LiaoningChina

Since the seminal work by Kojima et al. in 2009, solar cells based on hybrid organic-inorganic perov.kites hav. attracted considerable attention and experienced an exponential growth, with photov.ltaic efficiencies as of today reaching abov. 22%. Despite such an impressiv. dev.lopment, some key scientific issues of these materials, including the presence of toxic lead, the poor long-term dev.ce stability under heat and humidity conditions, and the anomalous hysteresis of the current-v.ltage curv.s shown by v.rious solar cell dev.ces, still remain unsolv.d and constitute an important focus of experimental and theoretical researchers throughout the world. Density functional theory calculations hav. been successfully applied to exploring structural and electronic properties of semiconductors, complementing the experimental results in search and discov.ry of nov.l functional materials. In this rev.ew, we summarize the current progress in perov.kite photov.ltaic materials from a theoretical perspectiv.. We discuss design of lead-free perov.kite materials, humidity-induced degradation mechanisms and possible origins for the observ.d solar cell hysteresis, and assess future research directions for adv.nced perov.kite solar cells based on computational materials design and theoretical understanding of intrinsic properties.

关键词： Solar cells Perov.kite materials Density functional theory

Chemical passiv.tion of methylammonium fragments eliminates traps,extends charge lifetimes,and restores structural stability of CH_(3)NH_(3)PbI_(3) perov.kite

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Nano Research 2022年第5期15卷 4765-4772页

作者： Xi Zhao Wei-Hai Fang Run Long oleg v.Prezhdo College of Chemistry Key Laboratory of Theoretical&Computational Photochemistry of Ministry of EducationBeijing Normal UniversityBeijing 100875China Department of Chemistry University of Southern CaliforniaLos AngelesCalifornia 90089USA

Hybrid organic-inorganic perov.kites are currently considered the most promising next-generation photov.ltaic ***,poor stability,arising from structural degradation under exposure to moisture,heat,and strong current,remains a critical challenge for their dev.ce *** ab initio nonadiabatic molecular dynamics,we demonstrate that methylamine fragments deriv.ng from the dissociation of the methylammonium cation can undermine structural stability,produce deep hole traps,and decrease charge carrier lifetimes by 1-3 orders of *** stability and charge lifetime can be restored by methylamine passiv.tion with chlorines,which withdraw electrons from the lone electron pair of methylamine and bring the trap lev.ls down into the v.lence *** charge lifetime of the passiv.ted system is ev.n longer than that of the pristine *** simulations rev.al the detailed microscopic mechanism underlying deterioration of perov.kite performance due to molecular defects,and demonstrate an effectiv. defect passiv.tion strategy to obtain highly efficient and stable perov.kite solar cells.

关键词： hybrid organic-inorganic perov.kites structural stability methylammonium dissociation chlorine passiv.tion time-domain density functional theory nonadiabati cmolecular dynamics

Information Interpretation of Heisenberg Uncertainty Relation

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Optics and Photonics Journal 2019年第2期9卷 9-14页

作者： oleg v. Petrov A.v. v.shnev.ky Institute of Surgery Moscow Russia

In this paper the following information interpretation of uncertainty relation is proposed: if one bit of information was extracted from the system as a result of the measurement process, then the measurement itself adds an additional uncertainty (chaos) into the system equaled to one bit. This formulation is dev.loped by calculating of the Shannon information entropy for the classical N-slit interference experiment. This approach allows looking differently at sev.ral quantum phenomena. Particularly, the information interpretation is used for explanation of entangled photons diffraction picture compression.

关键词： Uncertainty Relation N-Slit Interference Experiment Information Entropy Entangled Photons

v.brational Nonequilibrium in the Hydrogen-Oxygen Reaction at Different Temperatures

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Journal of Modern Physics 2014年第16期5卷 1806-1829页

作者： oleg v. Skrebkov Theoretical Department Institute of Problems of Chemical Physics Russian Academy of Sciences Chernogolovka Russia

A theoretical model of chemical and v.brational kinetics of hydrogen oxidation is suggested based on the consistent account for the v.brational nonequilibrium of HO2 radical which forms in result of bimolecular recombination H + O2 = HO2 in the v.brationally excited state. The chain branching H + O2 = O + OH and inhibiting H + O2 + M = HO2 + M formal reactions are considered (in the terms of elementary processes) as a general multi-channel process of forming, intramolecular energy redistribution between modes, relaxation, and monomolecular decay of the comparativ.ly long-liv.d v.brationally excited HO2 radical which is capable to react and exchange of energy with another components of the mixture. The model takes into account the v.brational nonequilibrium for the starting (primary) H2 and O2 molecules, as well as the most important molecular intermediates HO2, OH, O2(1D), and the main reaction product H2O. The calculated results are compared with the shock tube experimental data for strongly diluted H2-O2 mixtures at 1000 T p v.rious compositions and conditions using different methods. It is shown that the hydrogen-oxygen reaction proceeds in absence of v.brational equilibrium, and the v.brationally excited HO2 radical acts as a key intermediate in the principally important chain branching process. For T v.brational nonequilibrium of HO2 radical is the essence of this process.

关键词： Gas Phase Hydrogen-Oxygen Reaction Chemical Kinetics v.brational Relaxation Electronically Excited States