Zobrazeno 1 - 10
of 39
pro vyhledávání: '"S. S. Kulkov"'
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,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db997e2f549e8ba11029ff963aff84dd
https://doi.org/10.1007/s11182-021-02385-4
https://doi.org/10.1007/s11182-021-02385-4
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fdc4fea8e7aa2cd8f71d7c6a5b501dea
https://doi.org/10.1007/s11182-020-02089-1
https://doi.org/10.1007/s11182-020-02089-1
Publikováno v:
Journal of Experimental and Theoretical Physics. 130:579-590
The oxygen absorption and migration energies in the γ-TiAl alloy are calculated using the projector augmented-wave method within the density functional theory. The phonon frequencies required for estimating the average jump rate are determined at in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::970b0acd39eebb7ccae7cec7cb0ce64c
https://doi.org/10.1134/s1063776120030115
https://doi.org/10.1134/s1063776120030115
Publikováno v:
Applied Surface Science. 487:898-906
The microscopic mechanisms of oxygen adsorption on the doped Ti3Al(0001) surface are investigated by the projector augmented-wave method within the density functional theory. Changes of the adsorption energy due to 4d-metals and p-elements of IIIA an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08bee1af51fe0889b81f2eb928978fce
https://doi.org/10.1016/j.apsusc.2019.05.177
https://doi.org/10.1016/j.apsusc.2019.05.177
Publikováno v:
Metals
Volume 10
Issue 10
Metals, Vol 10, Iss 1298, p 1298 (2020)
Volume 10
Issue 10
Metals, Vol 10, Iss 1298, 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://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd77d161c9f533b5b6ccde98f0ac908d
Publikováno v:
Latvian Journal of Physics and Technical Sciences, Vol 55, Iss 6, Pp 20-29 (2018)
The projector augmented-wave method within the density functional theory is applied to investigate the oxygen diffusion in the intermetallic Ti-Al alloys. It is shown that the highest oxygen absorption energies in Ti-Al alloys correspond to the octah
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::210a76fa4fa3674094da484971721218
https://doaj.org/article/9b978533f3174f3a85e9dbab1c0c755f
https://doaj.org/article/9b978533f3174f3a85e9dbab1c0c755f
Publikováno v:
International journal of hydrogen energy. 2018. Vol. 43, № 3. P. 1909-1925
The influence of interstitial impurities such as B and C on the H-induced Fe Σ5(310) symmetrical tilt grain boundary embrittlement was investigated using the projector augmented-wave method. It was shown that in contrast to hydrogen, both boron and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::929fbe67d313c81b64da1ead958924b4
https://doi.org/10.1016/j.ijhydene.2017.11.083
https://doi.org/10.1016/j.ijhydene.2017.11.083
Publikováno v:
Intermetallics. 2021. Vol. 137. P. 107281 (1-8)
Analytic expressions for the temperature-dependent diffusion coefficient of oxygen along two directions in the α2-Ti3Al alloy are obtained using Landman's method. The estimation of oxygen diffusion coefficient as well as pre-exponential factor and t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::117cce936e8a583397c205905e2b9441
https://doi.org/10.1016/j.intermet.2021.107281
https://doi.org/10.1016/j.intermet.2021.107281
Publikováno v:
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON PHYSICAL MESOMECHANICS. MATERIALS WITH MULTILEVEL HIERARCHICAL STRUCTURE AND INTELLIGENT MANUFACTURING TECHNOLOGY.
The adhesion properties of Ti3Al/Al2O3 interface are investigated using the projector augmented-wave method within density functional theory. The work of separation is estimated depending on the interfacial layer composition including the formation o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a269b26f0997ed86b8cce9347b89ec2f
https://doi.org/10.1063/5.0034211
https://doi.org/10.1063/5.0034211
Publikováno v:
Solid State Phenomena. 258:110-113
The effect of interstitial and substitutional impurities on grain boundary (GB) cohesion in the series of B2-TiMe alloys is studied from first principles using pseudopotential approach. It is shown that the TiMe Σ5(310) symmetrical tilt GB cohesion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee8716d6a0f1b541a7bc72908c908a1c
https://doi.org/10.4028/www.scientific.net/ssp.258.110
https://doi.org/10.4028/www.scientific.net/ssp.258.110