Zobrazeno 1 - 10
of 14
pro vyhledávání: '"O. Yu. Kontsevoi"'
Publikováno v:
Acta Materialia. 52:675-682
The electronic structure and fracture energy characteristics of the NiAl/Mo interface have been investigated by the full-potential linear muffin-tin orbital method. We optimized the crystal geometry of the coherent interface and calculated the ideal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94005f0f92a723fbf5720360842cdb8c
https://doi.org/10.1016/j.actamat.2003.10.004
https://doi.org/10.1016/j.actamat.2003.10.004
Publikováno v:
Philosophical Magazine Letters. 81:455-463
The nature of impurity-dislocation interactions is one of the key questions governing the strength and plasticity of solid-solution materials. To investigate the influence of impurities on the mechanical properties of intermetallic NiAl, the electron
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::edc60c6b8631f9c43514040274706db4
https://doi.org/10.1080/09500830110055373
https://doi.org/10.1080/09500830110055373
Publikováno v:
physica status solidi (b). 221:647-655
The full-potential LMTO method was used for the investigation of the electronic structure and chemical bonding of the silicon, germanium and hypothetical carbon oxynitrides. The isovalent substitution of Si by C allows to compare the role of Si and C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce66daab630c6fe0af6e514dcfccd1a2
https://doi.org/10.1002/1521-3951(200010)221:2<647::aid-pssb647>3.0.co
https://doi.org/10.1002/1521-3951(200010)221:2<647::aid-pssb647>3.0.co
Autor:
O. Yu. Kontsevoi, Oleg N. Mryasov, Yu N. Gornostyrev, A. V. Trefilov, Mikhail I. Katsnelson, Arthur J Freeman
Publikováno v:
Philosophical Magazine Letters. 78:427-433
The electronic structure of the 100 {010} edge dislocation in NiAl has been calculated using the real-space tight-binding linear muffin-tin orbital recursion method with a self-consistent treatment of electron density redistribution effects in the di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::412175aded1b9c5ecb71d35781f77413
https://doi.org/10.1080/095008398177832
https://doi.org/10.1080/095008398177832
Autor:
V. A. Gubanov, O. Yu. Kontsevoi
Publikováno v:
Physical Review B. 51:15125-15131
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::678b7bdb3057d207371ace7f7f5f0ba3
https://doi.org/10.1103/physrevb.51.15125
https://doi.org/10.1103/physrevb.51.15125
Publikováno v:
Journal of Physics: Condensed Matter. 6:997-1006
The generalization of the tight-binding linear-muffin-tin-orbital recursion method for impurity electronic-structure calculations, which takes into account the influence of the nearest neighbour atoms in self-consistent way, is presented. The calcula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d506c1c0f07712184121ccef5dbbe28b
https://doi.org/10.1088/0953-8984/6/5/010
https://doi.org/10.1088/0953-8984/6/5/010
Publikováno v:
Physical Review B. 80
Due to the importance of NiTi as a shape-memory material and the uncertainty regarding its atomisitic martensitic transformation path, a thorough investigation to understand the structural stability governing this displacive phase transformation is w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::086861d01c2464e84a7d6f571ffe23d0
https://doi.org/10.1103/physrevb.80.144203
https://doi.org/10.1103/physrevb.80.144203
Publikováno v:
Physical Review B. 79
We present the structural evolution mechanism during the NiTi martensitic transformation and show the origins of this behavior in electronic and phononic anomalies. By employing highly precise all-electron density-functional theory calculations, we e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c76dca737486dbf0fbd5e8bf0cdac5f
https://doi.org/10.1103/physrevb.79.020202
https://doi.org/10.1103/physrevb.79.020202
Publikováno v:
ESOMAT 2009 - 8th European Symposium on Martensitic Transformations.
To determine the effect of ternary additions on the martensitic behavior of NiTi, we apply ab initio calculations using the highly precise full-potential linearized augmented plane wave method to the Ni-Ti-Pt system. We compare formation energies of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::822c0d1a2af1c2af6d71617274c84dd1
https://doi.org/10.1051/esomat/200902010
https://doi.org/10.1051/esomat/200902010
Publikováno v:
Scripta Materialia, 56, 2, pp. 81-84
Scripta Materialia, 56, 81-84
Scripta Materialia, 56, 81-84
The relative role of thermal expansion and composition changes in the temperature dependence of the lattice misfit in γ/γ′ alloys was investigated on the basis of ab initio calculations. We show that over a wide temperature range, up to approxima
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29e8a2a9ce672d05263cb4c4aae1f59b
https://doi.org/10.1016/j.scriptamat.2006.10.002
https://doi.org/10.1016/j.scriptamat.2006.10.002
