Zobrazeno 1 - 10
of 39
pro vyhledávání: '"I. I. Chuev"'
Publikováno v:
Ceramics International. 47:32626-32633
In this study, we report on the process to fabricate powder of high-entropy carbide (TiTaNbZrHf)С. We have obtained a high-entropy carbide phase by two-step high-energy ball milling (HEBM) of metallic precursors and carbon. At the first stage of HEB
Publikováno v:
International Journal of Self-Propagating High-Temperature Synthesis. 30:15-21
Total energy ab-initio calculations for some SHS products were performed by DFT method using VASP program package. The results of calculations along with XRD results and crystallographic modeling were used to explain specific features of the composit
Publikováno v:
Physics of Metals and Metallography. 121:1188-1192
—The enthalpies of formation of γ- and δ-modifications of the TiCu phase were estimated using the density-functional method. The enthalpies of formation are –22 and –12.8 kJ/mol for the γ- and δ-TiCu, respectively. The comparison of X-ray d
Autor:
I. I. Chuev, D. Yu. Kovalev
Publikováno v:
Technical Physics. 65:1652-1658
Systematic data on the amorphous–crystalline transition in Ni have been obtained by high-temperature X-ray diffraction analysis. It is established that the amorphous structure of Ni nanoparticles is stable up to 200°C. Ni nanocrystals, which have
Publikováno v:
Russian Journal of Physical Chemistry A. 94:1369-1374
The stability of the kappa phase of compounds Me3+xW10–xC3+y (Me = Fe, Co, Ni) is calculated using the density functional theory. Crystal structures with disordered positions are calculated using an additive approach. The crystal structure of the k
Publikováno v:
Inorganic Materials. 56:572-576
The composition and structure of a new compound, Ni3.35W9.65C4, have been determined by comparing X-ray powder diffraction, crystal-chemical modeling, and density functional quantum-chemical calculation (VASP program) results. The compound, in cast f
Autor:
S. V. Konovalikhin, I. I. Chuev, I. D. Kovalev, V. I. Vershinnikov, D. Yu. Kovalev, V. I. Ponomarev
Publikováno v:
Journal of Solid State Chemistry. 290:121579
Boron carbide crystals of various compositions were studied by X-ray powder diffraction in the temperature range of 25-700 °C. The formation of a metastable structure of boron carbide under the conditions of self-propagating high-temperature synt
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 548:123-132
Semi-empirical quantum chemical investigations of three [2 H ]-chromene compounds with similar molecular structures but with different numbers of photoisomers were carried out. The reaction coordinates of pyran-ring cycle opening in the ground and th
Publikováno v:
Crystallography Reports. 46:394-397
Crystals of (N′-furfurylidene)isonicotinoylhydrazide (I), which have been isolated from a water-methanol solution of hydrochloric acid (Ia) and an aqueous solution (∼50%) of acetic acid (Ib), are studied by X-ray diffraction. In Ia, the nitrogen
Autor:
S. M. Aldoshin, E. G. Atovmyan, I. I. Chuev, O. A. Rakova, Natalia A. Sanina, Nikolai S. Ovanesyan
Publikováno v:
Russian Journal of Coordination Chemistry. 27:179-183
Iron nitrosyl complexes with general formula [Q4N]2[Fe2(S2O3)2(NO)4] (Q = Me, Et, n-Pr, n-Bu) were synthesized by the exchange reaction of K2[Fe2(S2O3)2(NO)4] with tetraalkylammonium bromides. The molecular and crystal structure of [(CH3)4N]2[Fe2(S2O