A5101734160- Intermetallics and Advanced Alloy Properties
- Advanced Chemical Physics Studies
- Metallurgical and Alloy Processes
- Rare-earth and actinide compounds
- Titanium Alloys Microstructure and Properties
- Nuclear Materials and Properties
- Magnetic properties of thin films
- Surface and Thin Film Phenomena
- Industrial Engineering and Technologies
- ZnO doping and properties
- Advanced materials and composites
- Microstructure and Mechanical Properties of Steels
- Metal and Thin Film Mechanics
- Magnetic and transport properties of perovskites and related materials
- Geotechnical and Geomechanical Engineering
- X-ray Diffraction in Crystallography
- Reservoir Engineering and Simulation Methods
- High Temperature Alloys and Creep
- Graphite, nuclear technology, radiation studies
- Mining and Gasification Technologies
- Semiconductor materials and interfaces
- Advanced Physical and Chemical Molecular Interactions
- Economic and Technological Developments in Russia
- Radioactive element chemistry and processing
- Magnetic Properties of Alloys
National University of Science and Technology
2003-2024
Saint Petersburg Mining University
2023-2024
National University of Science and Technology
2023
Virginia Commonwealth University
2022
Agenzia Regionale per la Protezione dell'ambiente ligure
2017
Ufa State Petroleum Technological University
2016
St Petersburg University
2014
Fundamentproekt (Russia)
2011
V. G. Khlopin Radium Institute
2007
Lomonosov Moscow State University
1997
Abstract Theoretical modelling predicts very unusual structures and properties of materials at extreme pressure temperature conditions 1,2 . Hitherto, their synthesis investigation above 200 gigapascals have been hindered both by the technical complexity ultrahigh-pressure experiments absence relevant in situ methods analysis. Here we report on a methodology developed to enable static compression terapascal regime with laser heating. We apply this method realize pressures about 600 900...
We show that magnetic structures involving partial disorder of local moments on the Mn atoms in $({\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x})\mathrm{As}$ lower total energy, compared to case perfect ferromagnetic ordering, when As defects Ga sublattice are present. Such found be stable for a range concentrations antisites, and this result accounts observed critical temperatures $({\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x})\mathrm{As}$. propose an explanation stabilization...
The flaring of associated gas remains a problem for oil and fields that are difficult to access remote from the infrastructure. Active development production in Eastern Siberia has led fact transportation capacities cannot keep up with field development. Increased leads significant increase greenhouse gases such as carbon dioxide methane. A possible solution this is store aquifer its future sale monetization through main pipeline. This paper analyzes technologies utilization reveals...
We present theoretical calculations of the magnetic and electronic structure Mn-doped GaAs (in zinc-blende structure). The properties are shown to be very sensitive structural defects, in particular, As antisite defects Mn at interstitial positions. Only when considering such can experimental moments reproduced by first-principles theory. a simple model for understanding connection between ordering antisites, way which help stabilize partial disordered local-moment state. energetics...
A combinatorial approach is employed to investigate the atomic and electronic structures of a metal vacancy in titanium carbide. It turns out that usual relaxed geometry just metastable state representing local energy minimum. Using calculations by systematically searching through configurational space Ti monovacancy, we identify multitude minima with reconstructed are lower energy. Among them, there planar configuration two displaced carbons forming dimer inside vacancy. This structure has...
In this paper, the applicability of machine learning for predicting elastic properties binary and ternary bcc Ti Zr disordered alloys with 34 different doping elements is explored. The original dataset contained 3 independent constants, bulk moduli, shear Young’s moduli 1642 compositions calculated using EMTO-CPA method PAW-SQS calculation results 62 compositions. architecture system made as a pipeline pair blocks. first one took input set descriptors qualitative quantitative approximated...
Ab initio total energy calculations based on the exact muffin-tin orbitals method, combined with coherent potential approximation, have been used to study thermodynamical and elastic properties of substitutional refractory Ru1−xNixAl alloys. We found that constants C′ C11 exhibit pronounced peculiarities near concentration about 40 at. % Ni, which we ascribe electronic topological transitions. Our suggestion is supported by Fermi surface in whole range. Results our show one can design...
Lung cancer remains the leading cause of deaths accounting for almost 25% all deaths. Breath-based volatile organic compounds (VOCs) have been studied in lung but previous studies numerous limitations. We conducted a prospective matched case to control study ability preidentified VOC performance diagnosis stage 1 (S1LC).Study participants were enrolled two controls study. A was defined as patient with biopsy-confirmed S1LC. Controls included control, by risk factors, and housemate who...
The Fermi surface and the phase equilibria in Al-Zn system are studied theoretically framework of density-functional theory, linear muffin-tin orbital method, Green's function technique. Analyzing surfaces random alloys, we find a series electronic topological transitions within stability range fcc solid solution. A relation between these stabilities is established. We show that asymmetry miscibility gap as well mixing energy due to system.
We present a detailed investigation of the magnetic properties single monolayer Fe-Ni alloy film on Cu(001) substrate by means spin-polarized linear muffin-tin orbitals Green's-function technique and Korringa-Kohn-Rostoker Green's function method. The coherent-potential approximation formalism is used in both approaches. Our study shows that FeNi remains high-spin state for whole concentration interval, which agrees with experimental data. observe substantial deviations between bulk...
Fe-Cr-based steels are broadly considered as important structural materials, e.g., for generation-IV nuclear reactors. In order to address tougher operation conditions in future applications, properties of existing must be significantly improved. Multicomponent alloying has been viewed an efficient tool achieve this goal. Despite its accepted importance, fundamental knowledge the effect simultaneous Fe with Cr and other elements, such Ni, Mo, Al, W, V, Nb, on thermodynamic mechanical bcc...
We report on a detailed investigation of the combined effect alloying and compression structural stability random bcc hcp alloys in Mo-Re system. use linear-muffin-tin-orbital Green's-function method within coherent potential approximation (LMTO-GF-CPA) full-potential (FP-LMTO) method. For pure Mo we find to transition pressure take place at 620 GPa or 730 Mbar (LMTO-GF-CPA). The calculated equation states for ${\mathrm{Mo}}_{68}{\mathrm{Re}}_{32}$ alloy is good agreement with experimental...
The article considers approaches to the development of criteria for assessing quality scientific research in St. Petersburg Mining University, Russia (Mining University), functioning which contains main features university as well a organization. methods include expert assessments, analysis and synthesis other desk methods. Based on results activity organization recent years, set basic quantitative indicators has been developed, additional qualitative effectiveness departments university....