Search Results - "Gryaznov, D."

Atomic, electronic and magnetic structure of an oxygen interstitial in neutron-irradiated Al2O3 single crystals by Seeman, V., Lushchik, A., Shablonin, E., Prieditis, G., Gryaznov, D., Platonenko, A., Kotomin, E. A., Popov, A. I.

“…A single radiation-induced superoxide ion O 2 - has been observed for the first time in metal oxides. This structural defect has been revealed in…”
Get full text

Comparison of Permeation Measurements and Hybrid Density-Functional Calculations on Oxygen Vacancy Transport in Complex Perovskite Oxides by Gryaznov, D, Baumann, S, Kotomin, E. A, Merkle, R

“…The oxygen vacancy (V O ••) formation enthalpy (ΔH F) was determined from the effective activation energies obtained in the permeation measurements on a series…”
Get full text

Ab initio study of phase competition in (La1−c,Src)CoO3 solid solutions by Weizman, A., Fuks, D., Kotomin, E.A., Gryaznov, D.

“…(La1−c,Src)CoO3 (LSC) solid solutions are promising materials for high temperature electrochemical cells and cathodes of solid oxide fuel cells. The Density…”
Get full text

Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies by Bocharov, D., Gryaznov, D., Zhukovskii, Yu.F., Kotomin, E.A.

“…The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(0 0 1) surface, sub-surface or central layers. For…”
Get full text

Ab initio simulations of oxygen interaction with surfaces and interfaces in uranium mononitride by Bocharov, D., Gryaznov, D., Zhukovskii, Yu.F., Kotomin, E.A.

“…The results of DFT supercell calculations of oxygen behavior upon the UN (001) and (110) surfaces as well as at the tilt grain boundary are presented. Oxygen…”
Get full text

DFT calculations of point defects on UN(001) surface by Bocharov, D., Gryaznov, D., Zhukovskii, Yu.F., Kotomin, E.A.

“…The density functional theory is used in a study of point defects on both UN(001) surface and sub-surface layers. We compare the results for slabs of different…”
Get full text

Helium behavior in oxide nuclear fuels: First principles modeling by Gryaznov, D., Rashkeev, S., Kotomin, E.A., Heifets, E., Zhukovskii, Y.

“…UO 2 and (U, Pu)O 2 solid solutions (the so-called MOX) nowadays are used as commercial nuclear fuels in many countries. One of the safety issues during the…”
Get full text

Finite element simulation of diffusion into polycrystalline materials by Gryaznov, D., Fleig, J., Maier, J.

“…Diffusion in polycrystalline materials is investigated by means of numerical finite element simulations for constant source conditions. The grain boundaries…”
Get full text

Quantitative Model of Electrochemical Ostwald Ripening and Its Application to the Time-Dependent Electrode Potential of Nanocrystalline Metals by Schröder, A, Fleig, J, Gryaznov, D, Maier, J, Sitte, W

“…The contact of a metastable nanocrystalline metal ensemble with a metal ion electrolyte leads to an electrochemical Ostwald ripening. The kinetics is modeled…”
Get full text

Numerical study of grain boundary diffusion in nanocrystalline ionic materials including blocking space charges by Gryaznov, D., Fleig, J., Maier, J.

“…Diffusion in two grain boundary networks (parallel boundaries and square grains) was considered in order to analyze the effects of space charge layers on…”
Get full text

Surgical treatment for the single ventricle with subaortic obstruction. Clinical case of the Damus-Kaye-Stansel procedure by Bykov, S. E., Kovalev, S. A., Gryaznov, D. Yu, Korosan, E. I., Novick, W. M.

“…We present a case of hemodynamic correction for the single ventricle combined with subaortic obstruction and coarctation in an infant. The Damus-Kaye-Stansel…”
Get full text

Technological limitations and processing-generated defects at the development of pixel and strip arrays by Gostilo, V, Gryaznov, D, Lisjutin, I

“…The technological process of the array manufacture comprises the separate technological operations and each of these operations in the process of the detector…”
Get full text

The X-ray response of InP by Owens, Alan, Bavdaz, M, Gostilo, V, Gryaznov, D, Loupilov, A, Peacock, A, Sipila, H

“…We present the results of X-ray measurements on a prototype InP detector. The device was fabricated from Fe-doped bulk material of size 3×3×0.18 mm 3. X-ray…”
Get full text

The X-ray response of InP: Part B, synchrotron radiation measurements by Owens, Alan, Peacock, A., Bavdaz, M., Brammertz, G., Dubeckỳ, F., Gostilo, V., Gryaznov, D., Haack, N., Krumrey, M., Loupilov, A.

“…In this, the second part of a detailed study into the X-ray response of InP, we present results of a series of X-ray measurements on a 3.142 mm 2×180 μm thick…”
Get full text

Interdependence of Oxygenation and Hydration in Mixed-Conducting (Ba,Sr)FeO 3−δ Perovskites Studied by Density Functional Theory by Hoedl, M. F., Gryaznov, D., Merkle, R., Kotomin, E. A., Maier, J.

Get full text

The development of drift-strip detectors based on CdZnTe by Gostilo, V., Budtz-Jorgensen, C., Kuvvetli, I., Gryaznov, D., Lisjutin, I., Loupilov, A.

“…The design and technological development of a CdZnTe drift strip detector is described. The device is based on a monocrystal of dimensions 10/spl times/10/spl…”
Get full text

Michael addition to unprotected 3-(2-nitrovinyl)indoles under the conditions of microwave synthesis by Aksenov, Alexander V., Aksenov, Nikolai A., Skomorokhov, Anton A., Aksenova, Inna V., Gryaznov, Georgii D., Voskressensky, Leonid G., Rubin, Michael A.

“…A novel highly efficient preparative method for the synthesis of substituted indoles using conjugate addition of nucleophiles to 3-(2-nitrovinyl)indoles has…”
Get full text

Ab initio calculations of pure and Co+2-doped MgF2 crystals by Usseinov, A.B., Gryaznov, D., Popov, A.I., Kotomin, E.A., Seitov, D., Abuova, F., Nekrasov, K.A., Akilbekov, A.T.

“…Ab initio calculations of the atomic, electronic and vibrational structure of a pure and Co+2 doped MgF2 crystals were performed and discussed. We demonstrate…”
Get full text

Oxygen evolution and porous anodic alumina formation by Zhu, Xufei, Liu, Lin, Song, Ye, Jia, Hongbing, Yu, Huadong, Xiao, Xuemei, Yang, Xiuli

“…A new formation mechanism of porous anodic alumina (PAA) is proposed, which emphasizes the close relationship between pore generation and oxygen evolution…”
Get full text

Helium Behavior in Oxide Nuclear Fuels: First Principles Modeling by D. Gryaznov, S. Rashkeev, E. A. Kotomin, E. Heifets, Y. Zhukovskii

“…UO2 and (U, Pu)O2 solid solutions (the so-called MOX) nowadays are used as commercial nuclear fuels in many countries. One of the safety issues during the…”
Get full text