First-Principles Calculations and Experimental Study of H+-Irradiated Zr/Nb Nanoscale Multilayer System

First-Principles Calculations and Experimental Study of H+-Irradiated Zr/Nb Nanoscale Multilayer System

Dades bibliogràfiques
Parent link:	Metals Vol. 11, iss. 4.— 2021.— 627, 17 p.
Autor corporatiu:	Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
Altres autors:	Laptev R. S. Roman Sergeevich, Svyatkin L. A. Leonid Aleksandrovich, Krotkevich D. Dmitry, Stepanova E. N. Ekaterina Nikolaevna, Pushilina N. S. Natalia Sergeevna, Lomygin A. D. Anton Dmitrievich, Ognev S. O. Sergey Olegovich, Semek K. Kshishtof, Uglov V. V. Vladimir Vasiljevich
Sumari:	Title screen Nanoscale multilayer coating (NMC) based on Zr/Nb layers (100/100 nm) before and after H+ irradiation was investigated by combining experimental techniques with first-principles calculations. Detailed studies of structural and phase state and defect structure of Zr/Nb NMC were performed using methods of transmission electron microscopy, X-ray structural analysis, glow discharge optical emission spectrometry, and the Doppler broadening spectroscopy using variable energy positron beam. The first-principles calculations of binding energies for hydrogen in metal Zr/Nb layers was carried out by the pseudopotential method within the density functional theory framework. First-principles calculations and experimental data indicate the presence of macro- and microstrains predominantly in the zirconium layers of Zr/Nb NMC. The main feature of the studied Zr/Nb NMC is the predominant hydrogen localization in Zr layers near the interfaces. The annihilation of positrons is shown to occur mainly in the Zr layers in the vicinity of the interface.
Idioma:	anglès
Publicat:	2021
Matèries:	электронный ресурс труды учёных ТПУ nanoscale multilayer coatings H+ irradiation density functional theory positron annihilation многослойные покрытия облучение теория функционала плотности аннигиляция
Accés en línia:	http://earchive.tpu.ru/handle/11683/69101 https://doi.org/10.3390/met11040627
Format:	Electrònic Capítol de llibre
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=664863

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