Zobrazeno 1 - 10
of 156
pro vyhledávání: '"Svetlana E. Kulkova"'
Publikováno v:
Metals, Vol 12, Iss 4, p 650 (2022)
The effect of substitutional impurities of the transition metals of VB–VIIB groups on the oxygen absorption in the doped α2-Ti3Al alloy was studied by the projector-augmented wave method within the density functional theory. It is established that
Externí odkaz:
https://doaj.org/article/310e622767554c6dac61e462dbf27301
Autor:
Lora S. Chumakova, Alexander V. Bakulin, Stephen Hocker, Siegfried Schmauder, Svetlana E. Kulkova
Publikováno v:
Metals, Vol 12, Iss 3, p 492 (2022)
The atomic structure and surface energies of several low-index surfaces (0001), (11¯00) and (112¯0) of Ti5Si3 in dependence on their termination were calculated by the projector augmented-wave method within the density functional theory. It was rev
Externí odkaz:
https://doaj.org/article/dd415ced2dd946fdaf698c3118febe3c
Publikováno v:
Crystals, Vol 12, Iss 4, p 477 (2022)
The mechanism of the chemical bonding of oxygen and fluorine on the GaSb(111) surface depending on its termination is studied by the projector augmented-waves method within density functional theory. It is shown that on an unreconstructed (111) surfa
Externí odkaz:
https://doaj.org/article/89993ed742364edb9f83edf5395d303d
Autor:
Alexander V. Bakulin, Sergey S. Kulkov, Svetlana E. Kulkova, Stephen Hocker, Siegfried Schmauder
Publikováno v:
Metals, Vol 10, Iss 10, p 1298 (2020)
The adhesion properties of the TiAl/TiO2 interface are estimated in dependence on interfacial layer composition and contact configuration using the projector augmented wave method. It is shown that a higher value of the work of separation is obtained
Externí odkaz:
https://doaj.org/article/4be479c41c6645cc8c611e34592d21c0
Publikováno v:
Russian physics journal. 2021. Vol. 64, № 4. P. 590-598
Using the projector augmented-wave method within the electron density functional theory, a systematic study of the atomic and electronic structure of the α2-Ti3Al/α-Al2O3(0001) interface with intermediate metallic (Nb, Mo, Ni, Re) and oxide (Nb2O5,
Publikováno v:
Computational Materials Science. 226:112205
Publikováno v:
Intermetallics. 2022. Vol. 146. P. 107587
The oxygen absorption energy and its migration barriers in titanium silicide with composition Ti5Si3 and hexagonal structure have been calculated by using the projector augmented-wave method within the electron density functional theory. We have deri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40332af7cfdd7164292365f21ecd8f3a
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001000949
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001000949
Publikováno v:
International journal of hydrogen energy. 2022. Vol. 48, № 1. P. 232-242
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec37580d40c6d3cba027389c67e7d30d
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001003124
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001003124
Publikováno v:
Russian Physics Journal. 63:713-720
A systematic study of the atomic and electronic structure of the interface between the γ-TiAl alloy and α-Al2O3(0001) oxide depending on the contact configuration is performed within the density functional theory. The work of separation of the allo
Publikováno v:
Semiconductors. 54:742-753
The atomic and electronic structures of reconstructions with the symmetry (2 × 4), (4 × 2), c(4 × 4), and (4 × 3) on the (001) surface of GaSb and InSb semiconductors are investigated by the projector augmented-wave method. It is shown that the r