Search Results - "Bystrov, V. S."

Piezoelectricity in the Ordered Monoclinic Hydroxyapatite by Bystrov, V. S.

“…The results are based on the first principle modeling and calculations of hydroxyapatite (HAP) nanostructures, especially, in ordered monoclinic phase. HAP…”
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Behavior of Copper and Sulfur During High-Temperature Sulfurization Of Copper-Smelting Slags with Elemental Sulfur by Plotnikov, I. P., Komkov, A. A., Bystrov, S. V.

“…The article presents the results of experimental sulfidization of smelt and converter slags of copper smelting production using granular elemental sulfur at a…”
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Modified Hydroxyapatite Structure and Properties: Modeling and Synchrotron Data Analysis of Modified Hydroxyapatite Structure by Bystrova, A. V., Dekhtyar, Yu. D., Popov, A. I., Coutinho, J., Bystrov, V. S.

“…First principle modeling and calculations of hydroxyapatite both native and surface modified and having various defects (OH vacancies, H inter-nodes) were…”
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Computational and experimental studies of size and shape related physical properties of hydroxyapatite nanoparticles by Bystrov, V S, Paramonova, E, Dekhtyar, Yu, Katashev, A, Karlov, A, Polyaka, N, Bystrova, A V, Patmalnieks, A, Kholkin, A L

“…In this work, the properties of hydroxyapatite (HAP) nanoparticles (NPs) have been studied both theoretically and experimentally focusing on computational…”
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Piezoelectricity and pyroelectricity in hydroxyapatite by Bystrov, V. S.

“…The results are based on the first principle modeling and calculations of hydroxyapatite (HAP) nanostructures, especially in ordered hexagonal phase. HAP…”
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Molecular modeling and molecular dynamics simulation of the polarization switching phenomena in the ferroelectric polymers PVDF at the nanoscale by Bystrov, V.S.

“…The molecular modeling and molecular dynamics of polarization switching for the ferroelectric films model of polyvinylidene fluoride (PVDF) are investigated at…”
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Domain and homogeneous switching in ferroelectrics by Bystrov, V. S., Fridkin, V. M.

“…The polarization switching kinetics of ferroelectric crystals and the transition from domain switching to homogeneous in nanoscale films are considered…”
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Properties of hydroxyapatite with various substitutions: specific effects of Mg/Ca substitution in different Ca1 and Ca2 positions by Bystrov, V. S., Paramonova, E. V., Avakyan, L. A., Makarova, S. V., Bulina, N. V.

“…Hydroxyapatite (HAP) structures with cationic substitutions are studied. Paper presents results obtained using DFT calculations for Mg/Ca substitutions in HAP…”
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Structural and physical properties of hydroxyapatite modified by Sr/Ca substitutions by Bystrov, V. S., Paramonova, E. V., Bystrova, A. V., Avakyan, L. A., Bulina, N. V.

“…The structural and physical properties of hydroxyapatite with the substitutions of Sr/Ca were studied by density functional theory calculations using Quantum…”
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Polarization switching in nanoscale ferroelectric composites containing PVDF polymer film and graphene layers by Bystrov, V. S., Paramonova, E. V., Meng, X., Shen, H., Wang, J., Fridkin, V. M.

“…Modeling and computer study of a composite nanostructure containing a ferroelectric PVDF polymer and graphene layers were carried out in this work by molecular…”
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Piezoelectric, ferroelectric, and optoelectronic phenomena in hydroxyapatite with various defect levels by Bystrov, V. S., Coutinho, J., Avakyan, L. A., Bystrova, A. V., Paramonova, E. V.

“…The results are based on DFT calculations of hydroxyapatite (HAp) structures, pristine and defective, determined by various defects formed by oxygen vacancy…”
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Structural and physical properties of Sr/Ca and Mg/Ca substituted hydroxyapatite: modeling and experiments by Bystrov, V. S., Paramonova, E. V., Bystrova, A. V., Avakyan, L. A., Bulina, N. V.

“…The structural and physical properties of hydroxyapatite (HAP) with the substitution of Sr/Ca and Mg/Ca are studied. The changes in the HAP properties are…”
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Polar and photoelectronic properties of dileucine and diisoleucine nanotubes by Bystrov, V. S., Paramonova, E. V., Ledeneva, O. R., Belova, E. V., Zelenovskiy, P. S., Kopyl, S. A., Fridkin, V. M.

“…The article presents computer modeling and quantum-chemical calculations of polar and photoelectronic properties of helix-like nanotubes based on dileucine…”
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Structure and Properties of Manganese-Substituted Hydroxyapatite by Bystrov, V. S., Paramonova, E. V., Avakyan, L. A., Makarova, S. V., Bulina, N. V.

“…The results of calculations of the substitution of manganese cations for calcium cations in hydroxyapatite using density functional theory methods were…”
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Substitution in the Structure of Hydroxyapatite Doped with Iron Cations Upon Mechanochemical Synthesis by Isaev, D. D., Kriventsov, V. V., Petrov, S. A., Bystrov, V. S., Bulina, N. V.

“…Hydroxyapatite, a mineral of the apatite group, has an important and useful property. It has the propensity for various kinds of substitutions, which allows…”
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Polarization switching in nanoscale ferroelectrics by Paramonova, E. V., Bystrov, V. S., Meng, X., Shen, H., Wang, J., Fridkin, V. M.

“…The polarization switching kinetics of ferroelectric crystals and the transition between homogeneous and domain switching in the nanoscale ferroelectric films…”
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Modeling and physical properties of diphenylalanine peptide nanotubes containing water molecules by Bystrov, V. S., Coutinho, J., Zhulyabina, O. A., Kopyl, S. A., Zelenovskiy, P. S., Nuraeva, A. S., Tverdislov, V. A., Filippov, S. V., Kholkin, A. L., Shur, V. Ya

“…DFT (VASP) and semi-empirical (HyperChem) calculations for the D-chiral diphenylalanine (D-FF) peptide nanotube (PNT) structures, empty and filled with…”
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Pyroelectric properties of ferroelectric composites based on polyvinylidene fluoride (PVDF) with graphene and graphene oxide by Bystrov, V. S., Bdikin, I. K., Silibin, M. V., Meng, X. J., Lin, T., Wang, J. L., Karpinsky, D. V., Bystrova, A. V., Paramonova, E. V.

“…Novel composites based on polymer ferroelectrics with graphene (G) and graphene oxide (GO) have many advantages over pristine materials. In this work, the…”
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Investigation of physical properties of diphenylalanine peptide nanotubes having different chiralities and embedded water molecules by Bystrov, V. S., Kopyl, S. A., Zelenovskiy, P., Zhulyabina, O. A., Tverdislov, V. A., Salehli, F., Ghermani, N. E., Shur, V. Ya, Kholkin, A. L.

“…Molecular modeling of diphenylalanine peptide nanotubes (FF PNT) is performed using PM3 method in HyperChem. The study focuses on the polar properties of FF…”
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Polarization switching in ultrathin polyvinylidene fluoride homopolymer ferroelectric films by Paramonova, E. V., Filippov, S. V., Gevorkyan, V. E., Avakyan, L. A., Meng, X. J., Tian, B. B., Wang, J. L., Bystrov, V. S.

“…Polarization switching in PVDF/P(VDF-TrFE) Langmuir-Blodgett films using Molecular Dynamic simulation method was studied. Simulations showed that the…”
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