نتائج البحث - "Gryaznov, Denis"

1

Academic Journal

Numerical study of grain boundary diffusion: size effects

المؤلفون: Gryaznov, Denis, Fleig, Juergen, Maier, Joachim

Thesis Advisors: Max Planck Institute for Solid State Research, Universität Leipzig

المصدر: Diffusion fundamentals. 2(49):1-2

مصطلحات موضوعية: info:eu-repo/classification/ddc/530, ddc:530, Diffusion, Transport, diffusion, transport

Relation: urn:nbn:de:bsz:15-qucosa-179172; qucosa:13513

الاتاحة: https://ul.qucosa.de/id/qucosa%3A14382
https://ul.qucosa.de/api/qucosa%3A14382/attachment/ATT-0/

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2

Academic Journal

First-Principles Linear Combination of Atomic Orbitals Calculations of K2SiF6 Crystal: Structural, Electronic, Elastic, Vibrational and Dielectric Properties

المؤلفون: Rusevich, Leonid, Brik, Mikhail G., Gryaznov, Denis, Srivastava, Alok, Chervyakov, Ilya, Zvejnieks, Guntars, Bocharov, Dmitry, Kotomin, Eugene

المصدر: Materials

مصطلحات موضوعية: first-principles calculations, DFT, hybrid functionals, atomic and electronic structure, vibrational, dielectric and elastic properties, Raman and IR spectra, K2SiF6

Relation: Latvian Council of Science [LZP-2023/1-0063]; Estonian Research Council [PRG 2031]; European Unions Horizon 2020 [H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508]; info:eu-repo/grantAgreement/MESTD/inst-2020/200017/RS//; Chongqing Association for Science and Technology and Estonian Research Council [(Grant No. 2022[60], PRG 2031]; https://vinar.vin.bg.ac.rs/handle/123456789/13917

الاتاحة: https://vinar.vin.bg.ac.rs/handle/123456789/13917
https://doi.org/10.3390/ma17194865
http://vinar.vin.bg.ac.rs/bitstream/id/38863/materials-17-04865-v2.pdf

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3

Academic Journal

On the symmetry, electronic properties, and possible metallic states in NASICON-Structured A4V2(PO4)3 (A = Li, Na, K) phosphates /

المؤلفون: Gryaznov, Denis, Vilčiauskas, Linas

المصدر: Materials., Basel : MDPI AG, 2023, vol. 16, iss. 12, art. no. 4361, p. 1-11. ; eISSN 1996-1944

مصطلحات موضوعية: density functional theory, hybrid-exchange-correlation functionals, NASICON, sodium vanadium phopshate

وصف الملف: application/pdf

Relation: https://vb.ftmc.lt/object/elaba:170506318/170506318.pdf; https://vb.ftmc.lt/FTMC:ELABAPDB170506318&prefLang=en_US

الاتاحة: https://vb.ftmc.lt/FTMC:ELABAPDB170506318&prefLang=en_US

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4

Academic Journal

Proton migration barriers in BaFeO3−δ – insights from DFT calculations

المؤلفون: Hoedl, M. F., Chesno, Andrei, Gryaznov, Denis, Merkle, R., Kotomin, Eugene A., Maier, J.

مصطلحات موضوعية: Research Subject Categories::NATURAL SCIENCES::Physics

Relation: info:eu-repo/grantAgreement/EC/H2020/739508/EU/Centre of Advanced Material Research and Technology Transfer/CAMART²; Journal of Materials Chemistry A;11; https://pubs.rsc.org/en/content/articlelanding/2023/ta/d2ta08664f; https://dspace.lu.lv/dspace/handle/7/65490

الاتاحة: https://dspace.lu.lv/dspace/handle/7/65490
https://pubs.rsc.org/en/content/articlelanding/2023/ta/d2ta08664f
https://doi.org/10.1039/D2TA08664F

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5

Academic Journal

ROLE OF POSITIVE LAW IN PREVENTING REGULATORY INFLATION

المؤلفون: MUKHACHEV, Igor, GONDARENKO, Alexander, GRYAZNOV, Denis, AVANESOVA, Anna, ABGAROV, Stepan

المصدر: Revista Juridica; v. 3, n. 75 (2023): JULHO - SETEMBRO; 332 - 345 ; 2316-753X

مصطلحات موضوعية: Norm, Regulatory Legal Act, Legislation, System Of Law, Legal Archetype, Normative Complex

وصف الملف: application/pdf

Relation: http://revista.unicuritiba.edu.br/index.php/RevJur/article/view/6344/pdf; http://revista.unicuritiba.edu.br/index.php/RevJur/article/view/6344

الاتاحة: http://revista.unicuritiba.edu.br/index.php/RevJur/article/view/6344
https://doi.org/10.26668/revistajur.2316-753X.v2i74.6344

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6

Academic Journal

Jahn–Teller distortion in Sr2FeO4: group-theoretical analysis and hybrid DFT calculations

المؤلفون: Zvejnieks, Guntars, Mastrikov, Yuri, Gryaznov, Denis

المساهمون: Latvijas Zinatnes Padome

المصدر: Scientific Reports ; volume 13, issue 1 ; ISSN 2045-2322

الاتاحة: http://dx.doi.org/10.1038/s41598-023-43381-7
https://www.nature.com/articles/s41598-023-43381-7.pdf
https://www.nature.com/articles/s41598-023-43381-7

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7

Academic Journal

First-Principles Linear Combination of Atomic Orbitals Calculations of K 2 SiF 6 Crystal: Structural, Electronic, Elastic, Vibrational and Dielectric Properties.

المؤلفون: Rusevich, Leonid L., Brik, Mikhail G., Gryaznov, Denis, Srivastava, Alok M., Chervyakov, Ilya, Zvejnieks, Guntars, Bocharov, Dmitry, Kotomin, Eugene A.

المصدر: Materials (1996-1944); Oct2024, Vol. 17 Issue 19, p4865, 17p

مصطلحات موضوعية: ATOMIC spectra, ATOMIC orbitals, RAMAN spectroscopy, DIELECTRIC properties, DEBYE temperatures

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8

Academic Journal

Sr Doping and Oxygen Vacancy Formation in La1−xSrxScO3−δ Solid Solutions: Computational Modelling

المؤلفون: Mastrikov, Yuri A., Gryaznov, Denis, Zvejnieks, Guntars, Sokolov, Maksim N., Putniņa, Māra, Kotomin, Eugene A.

مصطلحات موضوعية: Research Subject Categories::NATURAL SCIENCES::Physics, DFT, F-centre, lanthanum scandate, oxygen stoichiometry, oxygen vacancy

Relation: info:eu-repo/grantAgreement/EC/H2020/739508/EU/Centre of Advanced Material Research and Technology Transfer/CAMART²; Crystals;12 (9); 1300; https://www.mdpi.com/2073-4352/12/9/1300; https://dspace.lu.lv/dspace/handle/7/61742

الاتاحة: https://dspace.lu.lv/dspace/handle/7/61742
https://www.mdpi.com/2073-4352/12/9/1300
https://doi.org/10.3390/cryst12091300

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9

Academic Journal

Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study

المؤلفون: Mastrikov, Yuri A., Gryaznov, Denis, Sokolov, Maksim N., Zvejnieks, Guntars, Popov, Anatoli I., Eglitis, Roberts I., Kotomin, Eugene A., Ananyev, Maxim V.

مصطلحات موضوعية: Research Subject Categories::NATURAL SCIENCES::Physics, antiphase boundaries, DFT, La1−xSrxScO3−δ, lanthanum scandate, oxygen transport, oxygen vacancy, perovskite

Relation: info:eu-repo/grantAgreement/EC/H2020/739508/EU/Centre of Advanced Material Research and Technology Transfer/CAMART²; Materials;15 (7), 2695; https://www.mdpi.com/1996-1944/15/7/2695; https://dspace.lu.lv/dspace/handle/7/61091

الاتاحة: https://dspace.lu.lv/dspace/handle/7/61091
https://www.mdpi.com/1996-1944/15/7/2695
https://doi.org/10.3390/ma15072695

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10

Report

Ab initio modelling of UN grain boundary interfaces

المؤلفون: Kotomin, Eugene A., Zhukovkii, Yuri F., Bocharov, Dmitry, Gryaznov, Denis

المصدر: IOP Conf. Series: Mater. Sci. Engineering, 2012, 38, 012058 (p. 1-4)

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1211.5693

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11

Report

Oxygen vacancy formation energies in Sr-doped complex perovskites: ab initio thermodynamic study

المؤلفون: Gryaznov, Denis, Finnis, Mike W., Evarestov, Robert, Maier, Joachim

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1206.6242

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12

Report

DFT calculations of point defects on UN(001) surface

المؤلفون: Bocharov, Dmitry, Gryaznov, Denis, Zhukovskii, Yuri F., Kotomin, Eugene A.

المصدر: Surf. Sci., 2011, 605, p. 396-400

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1008.5310

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13

Report

Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and subsurface vacancies

المؤلفون: Bocharov, Dmitry, Gryaznov, Denis, Zhukovskii, Yuri F., Kotomin, Eugene A.

المصدر: J. Nucl. Mater., 2011, 416, p. 200-204

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1008.5311

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14

Report

Phonon Calculations in Cubic and Tetragonal Phases of SrTiO3: a Comparative LCAO and Plane Wave Study

المؤلفون: Evarestov, Robert A., Blokhin, Evgeny, Gryaznov, Denis, Kotomin, Eugene A., Maier, Joachim

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1008.4003

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15

Report

Hybrid density functional theory calculations on phonons in LaCoO3

المؤلفون: Gryaznov, Denis, Evarestov, Robert A., Maier, Joachim

مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons

URL الوصول: http://arxiv.org/abs/1008.1005

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16

Report

Density functional theory calculations on magnetic properties of actinide compounds

المؤلفون: Gryaznov, Denis, Heifets, Eugene, Sedmidubsky, David

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1005.5369

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17

Report

Ab initio DFT+U study of He atom incorporation into UO2 crystals

المؤلفون: Gryaznov, Denis, Heifets, Eugene, Kotomin, Eugene

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/0901.3385

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18

Academic Journal

A Visual Representation for Accurate Local Basis Set Construction and Optimization: A Case Study of SrTiO 3 with Hybrid DFT Functionals.

المؤلفون: Zvejnieks, Guntars, Rusevich, Leonid L., Heifets, Eugene, Kotomin, Eugene, Gryaznov, Denis

المصدر: Crystals (2073-4352); Jul2024, Vol. 14 Issue 7, p671, 18p

مصطلحات موضوعية: CRYSTAL defects, ATOMIC orbitals, DENSITY functional theory, COLLECTIVE behavior, PLANE wavefronts

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19

Academic Journal

Effect of Rh Doping on Optical Absorption and Oxygen Evolution Reaction Activity on BaTiO 3 (001) Surfaces.

المؤلفون: Inerbaev, Talgat M., Abuova, Aisulu U., Zakiyeva, Zhadyra Ye., Abuova, Fatima U., Mastrikov, Yuri A., Sokolov, Maksim, Gryaznov, Denis, Kotomin, Eugene A.

المصدر: Molecules; Jun2024, Vol. 29 Issue 11, p2707, 15p

مصطلحات موضوعية: LIGHT absorption, OXIDATION of water, ELECTRON density, BARIUM titanate, SOLAR radiation

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20

Conference

Density functional theory analysisof structural and electronic properties ofNASICON-structured NaxTi2(PO4)3(x = 1 –4)

المؤلفون: Vilčiauskas, Linas, Gryaznov, Denis

المصدر: 71st Annual meeting of the international society of electrochemistry : 30 August - 4 September 2020, Belgrade, Serbia : abstracts, Belgrade, 2020, p. 1

مصطلحات موضوعية: DFT, NASICON, Na-ion batteries, cluster expansion

Relation: http://ftmc.lvb.lt/FTMC:ELABAPDB71468762&prefLang=en_US

الاتاحة: http://ftmc.lvb.lt/FTMC:ELABAPDB71468762&prefLang=en_US

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