Zobrazeno 1 - 10
of 50
pro vyhledávání: '"V. G. Zavodinsky"'
Autor:
Olga A. Gorkusha, V. G. Zavodinsky
Publikováno v:
Computational nanotechnology. 7:29-36
Dependence of the binding energy of carbon atoms in nanotubes on the tube diameter is studied. The full-electron orbital free modeling method, developed by us in the framework of the density functional theory, was used for calculation of the binding
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2843b68d05a1707ad4465e0e76a3ce71
https://doi.org/10.33693/2313-223x-2020-7-3-29-36
https://doi.org/10.33693/2313-223x-2020-7-3-29-36
Autor:
V. G. Zavodinsky, A. P. Kuz’menko
Publikováno v:
Semiconductors. 53:1381-1385
The electronic structure of nanosystems based on cadmium sulfide in the zinc-blende form (zb-CdS) is investigated using the method of density functional theory with the application of pseudopotentials. It is shown that this approach makes it possible
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7823a29691841b3a0fad2a898a3e6e0b
https://doi.org/10.1134/s1063782619100269
https://doi.org/10.1134/s1063782619100269
Autor:
Olga A. Gorkusha, V. G. Zavodinsky
Publikováno v:
Computational nanotechnology. 6:80-85
We studied an opportunity to develop a full-potential orbital-free method for modeling of multi-atomic systems using results of Kohn-Sham calculations for single atoms. We have obtained equilibrium bond lengths and binding energies for dimers Li2, Be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::700544764d646abf2eebffaf46cc853e
https://doi.org/10.33693/2313-223x-2019-6-3-80-85
https://doi.org/10.33693/2313-223x-2019-6-3-80-85
Autor:
O.A. Gorkusha, V. G. Zavodinsky
Publikováno v:
Nanosystems: Physics, Chemistry, Mathematics. 10:402-409
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5df86b892e9e649ea396d32d659b2a95
https://doi.org/10.17586/2220-8054-2019-10-4-402-409
https://doi.org/10.17586/2220-8054-2019-10-4-402-409
Autor:
O. A. Gorkusha, V. G. Zavodinsky
Publikováno v:
Computational Mathematics and Mathematical Physics. 59:313-321
A numerical method for finding the potential of a multiatomic system in the real space is proposed. A distinctive feature of this method is the decomposition of the electron density $$\rho $$ and the potential $$\varphi $$ into two parts $$\rho = {{\
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::22fc3f617dae3f7b12d58b83c99e945e
https://doi.org/10.1134/s0965542519020064
https://doi.org/10.1134/s0965542519020064
Autor:
V. G. Zavodinsky
Publikováno v:
Physics of the Solid State. 60:1903-1907
The density functional method with pseudopotentials are used to study the electron states of nanoparticles and nanostructured systems: chains, films, and three-dimensional nanosystems of titanium and zirconia. It is shown that all studied titanium na
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::68043318f5f953e100421565524d69ea
https://doi.org/10.1134/s1063783418100323
https://doi.org/10.1134/s1063783418100323
Autor:
Yuri G. Kabaldin, V. G. Zavodinsky
Publikováno v:
The Journal of Adhesion. 96:633-646
Adhesive energy and ultimate adhesive strength of layered TiN/Ti, TiN/ZrN, TiN/Ti/ZrN, and TiN/Zr/ZrN structures are studied by the density functional theory (DFT) and pseudopotentials methods. It ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f3f6f322a4572bfc819a4c92b707cbca
https://doi.org/10.1080/00218464.2018.1488217
https://doi.org/10.1080/00218464.2018.1488217
Autor:
Yuriy G. Kabaldin, V. G. Zavodinsky
Publikováno v:
Composite Interfaces. 26:97-106
Energetics and mechanical properties of layered TiN/ZrN and TiN/Ti/ZrN structures are explored by means of the density functional theory and pseudopotentials. It has been shown that nitride layers of these compounds have a good adhesion each to other
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3260afc5781cc90ebd9f7d1c0b37675c
https://doi.org/10.1080/09276440.2018.1474665
https://doi.org/10.1080/09276440.2018.1474665
Publikováno v:
Nanosystems: Physics, Chemistry, Mathematics. :635-640
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd7edb8d89b10551fc68ba6c58427e3b
https://doi.org/10.17586/2220-8054-2017-8-5-635-640
https://doi.org/10.17586/2220-8054-2017-8-5-635-640
Autor:
Oleg I. Kaminsky, V. G. Zavodinsky
Publikováno v:
Nanoscience and Technology: An International Journal. 8:231-241
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f7cdb43070f887f7900e606fc09a277a
https://doi.org/10.1615/nanoscitechnolintj.v8.i3.60
https://doi.org/10.1615/nanoscitechnolintj.v8.i3.60