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Modeling of chemical mechanical optoelectric properties of combined inorganic and organometallic materials

Briukhanov Ilia
Moscow State Uiversity

DRIVER: optimal choice of cationic and zeolite framework for methanol carbonylation, definition of optimal regime of ALD techniques for achieving available passivation of Si and hydrogenated Si

STRATEGY: quantum chemical aproaches using isolated clusters and periodic boundaries

OBJECTIVE: development of catalytic cycle for CO2 utilization from atmosphere on the basis of alkali earth and transition metals, modeling of oxide deposition on the surface of Si and hydrogenated Si, control over the extent of Si passivation

IMPACT: scientific and commercial

USAGE: development of catalytic cycle for CO2 utilization from atmosphere on the basis of alkali earth and transition metals, modeling of oxide deposition on the surface of Si and hydrogenated Si, control over the extent of Si passivation

AREA: Physical Chemistry, Mechanics

Analysis of non-isothermal flows in porous media subjected to phase transitions

Melnik Oleg
Moscow State Uiversity

DRIVER: carbon dioxide injection in water saturated reservoirs

STRATEGY: numerical methods for hydrodynamics in porous media

OBJECTIVE: analysis and optimization of carbon dioxide underground storage subjected to realistic geological model of reservoir

IMPACT: determination of effective injection parameters

USAGE: in carbon dioxide sequestration technologies

AREA: Geophysics, Mechanics

Numerical investigation of turbulent flows and electrokinetic instability in micro- and nano-scale

Nikitin Nicolai
Moscow State Uiversity

DRIVER: Numerical simulation of transitional processes and features of developed turbulent regimes in flows of electrolytic solutions under electric field.

STRATEGY: The Nernst-Plank-Poisson-Stokes equations for the electrolitic solution are solved numerically using finite-difference discretization in space and semi-implicit time-advancement method. The obtained solutions with varying governing parameters are analized using statistical tools.

OBJECTIVE: Detection of mechanism underlying the laminar-turbulent transition, describing the features of developed turbulent flows, searching the means of turbulent flow control.

IMPACT: Forecast of conditions of laminar-turbulent transition in nature and technology; flow control with the aim of decreasing/increasing turbulent mass- and heat transfer.

USAGE: micro and nanosystems.

AREA: Mechanics

Numerical simulations of magnetohydrodynamic processes in the solar convection zone

Getling Alexander
Moscow State Uiversity

DRIVER: Studying situations in which multiscale convection can develop in a globally unstable layer of a compressible gas

STRATEGY: It is assumed that the thermal diffusivity makes a jump at a certain height, which results in much stronger convective instavility within the thin overlying sublayer, compared to the remaining portion of the layer (the lower sublayer). Therefore, a scale-splitting phenomenon becomes possible: convective motions of two widely different scales can coexist, with the large-scale flows filling the full layer thickness and the small-scale flows being concentrated near the upper boundary.

OBJECTIVE: Studying the flow structure in the solar convection zone, where the splitting of convection scales is observed; it can substantially affect the structure of magnetic fields.

IMPACT: scientific

USAGE: Solar physics, solar-activity mechanisms

AREA: Astronomy, Mechanics

Detonation stabilization in a supersonic flow of a combustible gas mixture

Zhuravskaia Tatiana
Moscow State Uiversity

DRIVER: The numerical investigation of detonation propagation in a stoichiometrical hydrogen-air mixture flowing with supersonic velocity into plane channels of different shape with the purpose of determination of conditions that guarantee detonation stabilization in the gas flow.

STRATEGY: For numerical modelling of the considered processes the set of gasdynamics equations describing a plain, two-dimensional, inviscid, non-heat-conducting, reactive gas flow coupled with detailed chemical kinetic equations has been solved using a finite-difference method based on the Godunov's scheme.

OBJECTIVE: Determination of the plane channel shape that guarantees detonation initiation and detonation stabilization without any energy input in a stoichiometrical hydrogen-air mixture flowing with supersonic velocity into the channel.

IMPACT: The new methods of detonation stabilization in a supersonic gas flow have been determined.

USAGE: Gasdynamics of reactive flows

AREA: Mechanics

Numerical modeling of separated flows based on vortex approach

Setukha Aleksey
Moscow State Uiversity

DRIVER: Development and testing of parallel numerical algorithm for solving aerodynamic problems with vortex method

STRATEGY: Applying efficient methods of big-size matrix approximation with paralleling of numerical algorithms at the same time

OBJECTIVE: To analyse increased opportunities of aerodynamic vortex methods provided by supercomputer technologies

IMPACT: The solution of complex aerodynamic and dynamic problems for airvehicles, modeling of non-stationary separated flows past group of objects with complicated geometry, for example, building and constructions or multi-cupolas parachute systems

USAGE: Aerodynamics of airvehicles, aerodynamics and aeroelastics of parachutes, constructing aerodynamics

AREA: Mechanics

Numerical modelling of noise generated by turbulent flows

Faranosov Georgy
Central Aerohydrodynamic Institute

DRIVER: Develpment of numerical modelling of noise generation processes in turbulent flows (jets, wakes, fans etc.)

STRATEGY: For turbulent flows modellilng (including noise generation processes), a method based on Large Eddy Simulation (LES) approach is used. The LES method is realized on basis of CABARET numerical scheme. Acoustic module is based on the integral Ffowcs Williams-Hawkings approach with the use of Green's function for convective wave equation

OBJECTIVE: As a result of numerical modelling, aerodynamic (mean parameters profiles, TKE distributions) and aeroacoustic (far field spectra) characteristics should be obtained for turbulent flows considered

IMPACT: Successful numerical modelling of aeroacoustic processes taking place in turblent flows will allow performing deeper analisys of the physical mechanisms in these flows, which in turn will make it possible to develop noise reduction techniques with the use of elaborated numerical methods as well

USAGE: aviation scientific centers and design bureaus

AREA: Radiophysics, Electronics and Acoustics, Mechanics

Compatible analytical, numerical and laboratory modeling of non-homogeneous fluid flows

Chashechkin Iuly
Institute for Problems in Mechanics of RAS

DRIVER: Mathematical and experimental modeling of non-homogeneous fluid flows accounting for the stratification and diffusion effects; visualization of calculated flow patterns accounting for the finestructure components in a wide range of determining parameters; study of vortices and waves formation mechanisms and flows regimes classification; identification of regions with maximal perturbations and conditions of their formation with the purpose of negative consequences reduction caused by extraordinary weather conditions in regions with topography; development of numerical simulation approaches based on the fundamental equations of non-homogeneous fluids mechanics and carrying-out calculations of continuously stratified fluids flows on impermeable obstacles with a chosen shape

STRATEGY: The approach is based on combination of analytical, numerical and laboratory investigations of continuously stratified fluid flows; the mathematical analysis of the complete fundumental equations set of non-homogeneous fluid mechanics is performed by methods of continuous groups theory and asymptotic expansions; the laboratory experiments are conducted on unique facilities of the IPMech RAS using Schlieren visualization instruments with high spatial resolution; the numerical simulations are performed by both finite volume and finite difference methods realized in the original author's programs and own solvers of the open source code package OpenFOAM using programming languages Fortran and C++

OBJECTIVE: Mechanisms of wave and vortex flow components formation, development and break-up in a stratified medium where waves and vortices coexist simultaneously and interact actively with each other; investigation of flow finestructure which influences upon substance transfer, components separation processes and local increase of admixture concentration; conducting compatible mathematical and experimental investigations in order to control adequacy, accuracy and conditions of possible application of the obtained numerical results

IMPACT: New scientific and practical valuable results on investigation of rotation, stratification and dissipation effects as principal branches of modern non-homogeneous fluid mechanics; significant improvement in description of natural systems dynamics with purpose of weather forecast specification, climate variability and anthropogenic contribution assessments; identification of all the flow structure elements including earlier unknown finestructure elements; more profound understanding of physical processes in the natural systems due to application in numerical investigations of fundamental equation set of non-homogeneous fluids mechanics, which accounts for influence of a medium real properties and external dynamic factors

USAGE: The obtained results are important for fundamental and applied aero- and hydrodynamics since they are demonstrating effects of finestructure components being integral part of natural systems; it is possible to use in development of natural systems dynamics description with purpose of weather forecast specification, climate variability and anthropogenic contribution assessments; for environmental state monotoring and its pollution prevention, prediction of wave-nature destructions (tsunamis, floods, waves with an extreme hight etc.), which cause the most noticeable damage to ecomomy; flow control methods development for efficient and high-speed vehicles construction (air- and seacrafts) in the field of ship- and aircraft building industry

AREA: Mechanics

Modeling of the dynamics of shallow waters on the northern part of Volga-Akhtuba floodplain

Khoperskov Alexander
Volgograd State University

DRIVER: We solve the problem of software package creating for the seasonal flooding modeling on the northern part of the Volga-Akhtuba floodplain with the main physical and meteorological factors on the basis of parallel technologies.

STRATEGY: Model is based on numerical integration of Saint-Venant equations using a combined SPH-TVD method.

OBJECTIVE: The main goal of the project is to create a tool to predict of hydrological regime in the territory of northern part of the Volga-Akhtuba floodplain and the subsequent construction of the optimal hydrograph for the Volga Hydroelectric Power Station.

IMPACT: The existence of the unique landscape of the Volga-Akhtuba floodplain in the territory of 20,000 square kilometers is completely defined by the regime of spring (April-May) water releases through the target dam of the Volga Hydroelectric Power Station. The method of constructing an optimal hydrograph will allow us to increase the flooding of area considering various features of the landscape.

USAGE: Analytical tool for the work of the interdepartmental task force to regulate the water reservoirs of the Volga-Kama cascade, the environmental organizations and agencies, the Ministry of Emergency Situations.

AREA: Georgaphy and Land Hydrology, Mechanics

Supersonic direct-flow chamber of detonative combustion

Tunik Iury
Moscow State Uiversity

DRIVER: Modeling of detonative combustion of hydrogen-air-mixtures, coming in a variable cross-section channel with a supersonic velocity

STRATEGY: The problem is being solved step-by-step.

OBJECTIVE: Theoretical creation of a ramjet engine model with detonative combustion

IMPACT: Social and scientific

USAGE: 1. Defence industry. 2. Gas mixture ignition and combustion theory of supersonic flows

AREA: Mechanics

Scalable numerical study of gas and hydrodynamics for the industrial applications using open source software.

Kalugin Mihail
Institute for System Programming of RAS

DRIVER: Research is directed to solve the following industrial applications using CFD methods: - modeling of acoustic fields generated by unsteady turbulent flow of gas - Modeling of turbulence with LES model in the case of subsonic gas flow over "Scanliner" diagnostic probe- device in a swirled viscous gas; - Modeling of turbulence with LES model in the case of subsonic gas flow over container on the external load of helicopter considering laminar-turbulent transition in a boundary level - Modeling of turbulence with LES model in the case of subsonic gas flow over swirling flying device; - Modeling of turbulence with LES model in the case of water flow over the ship considering laminar-turbulent transition in a boundary level of the ship; Modeling of turbulence with LES model in the case of gas flow in the radial compressor considering rotor-stator cross impact; Modeling of turbulence with LES model in the case of diesel fuel jet atomization, considering the finiteness of the speed of chemical reaction.

STRATEGY: LES model is used for solution of all cases. Cases are solved on meshes having approximately 20 billon cells. All the cases are studied for effectiveness and scalability of parallel computation. Results are verified with experimental and simulation data.

OBJECTIVE: This research is aimed to build strategy of efficient supercomputer simulation of industrial applications in the field of aeroacoustic, aerodynamic, hydrodynamic using open source software package OpenFOAM.

IMPACT: Numerical solution of the cases mentioned above will help to find a strategy for efficient supercomputer simulation of variety of cases, which requires modeling of unsteady turbulent flow. Results will be used for development of training course “Capabilities of open source packages for solving continuum mechanics” in Summer Supercomputer Academy and other training courses in continuum mechanics.

USAGE: Results of the project can be used in the field connected with research and design of new aircrafts, ships, car industry as well as for improving education in relevant professions.

AREA: Mechanics