Zobrazeno 1 - 10
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pro vyhledávání: '"A L Udovsky"'
Autor:
A L Udovsky, D A Vasilyev
Publikováno v:
Journal of Physics: Conference Series. 2052:012048
A new technique of finding the minimum total energy, calculated by quantum mechanical calculations, for hexagonal Mu- (μ-) phases of stoichiometric compositions taking into account relaxation, as well as optimized crystal lattice parameters for diff
Autor:
A L Udovsky, M V Kupavtsev
Publikováno v:
Journal of Physics: Conference Series. 2052:012049
In this work, the super-cells were used for quantum mechanical calculations of the mixing enthalpia of the BCC phase of the Fe-V system for the ground state. The values of total energy were calculated using 16 -th and 54- atomic super-cells for both
Autor:
A L Udovsky, M V Kupavtsev
Publikováno v:
Journal of Physics: Conference Series. 1942:012028
The region of existence of the sigma-phase of the Fe-V system was studied. The calculations carried out using the licensed package of quantum mechanical calculations WIEN2k. The dependences of the mixing energy and partial magnetic moments of Fe atom
Autor:
A. L. Udovsky
Publikováno v:
Journal of Physics: Conference Series. 1942:012023
The analysis of experimental data on neutron-structural studies of the sigma-phase of the alloys of the Fe-Cr system, obtained by Yakel, was carried out, which made it possible to introduce the concept of coordination spheres with an average radius a
Autor:
Alexander L. Udovsky
Publikováno v:
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).
The space in coordinates, the scalar convolution of which contributes to the Gibbs energy or energy, is called the space in conjugate coordinates (CCs), for example, the P -V space (pressure-volume coordinates. The report examines the use of spaces i
Autor:
M. V. Kupavtsev, A L Udovsky
Publikováno v:
Journal of Physics: Conference Series. 1658:012067
The purpose of this work is to study the region of existence of the sigma phase of the Fe-V system. Since this phase is stable up to low temperatures, up to temperature of the ground state, at which quantum-mechanical calculations are carried out. Th
Autor:
D. A. Vasilyev, A. L. Udovsky
Publikováno v:
Journal of Physics: Conference Series. 1658:012066
The structural energies, formation enthalpies and bulk elastic moduli of bcc iron and molybdenum in the Fe – Mo system, are calculated for further use in the calculations of the bcc / bcc + Fe2Mo Laves phase boundary at low (room) temperatures.
Autor:
A. L. Udovsky
Publikováno v:
Journal of Physics: Conference Series. 1658:012065
It is shown that the presence of dispersion of particles with nano-sizes can lead to the appearance of a local phase transition on the surface layer of a sub-granule or a local bcc / fcc phase transition in pure Fe can occur at the intergranular boun
Publikováno v:
Journal of Physics: Conference Series. 1431:012057
A comparative study was carried out of the structure of samples of zirconium oxides modified by yttrium and magnesium, synthesized by coprecipitation and calcined during 10 days at a temperature of 1250 °C. Refinement of the structure of the samples
Autor:
D A Vasilyev, A L Udovsky
Publikováno v:
Journal of Physics: Conference Series. 1431:012059
The structural energies of iron and molybdenum in the BCC and C14 Laves phases in the Fe – Mo system, formation enthalpies and bulk elastic moduli are calculated for further use in the calculations of the BCC / BCC+C14Fe2Mo Laves phase boundary at