Molecular dynamics simulation of Pd and PdH structure

Результат исследований: Материалы для книги/типы отчетовМатериалы для конференции

1 Цитирования (Scopus)

Аннотация

For materials, science it is important to study the structure and behavior of matter at the deepest level. Currently, modern microscopes allow one to see the atomic structure of matter. Materials should be prepared in a special way, for research in the microscope, but thus the natural structure of the material may changed. Especially, the processes at the atomic level are difficult to explore. In a computer model of matter, one can account the properties of atoms and even its electron structure. In this paper, by molecular dynamics method the structure and evolution of the palladium and its compounds with hydrogen are investigated. In the work equilibrium structure of the crystal lattice of palladium was obtained and determined the equilibrium lattice parameter at different temperatures. The behavior of the hydrogen atom inside the crystal lattice of palladium was studied. The structural and diffusion properties system palladium-hydrogen were obtained.

Язык оригиналаАнглийский
Название основной публикацииMultifunctional Materials
Подзаголовок основной публикацииDevelopment and Application
ИздательTrans Tech Publications Ltd
Страницы583-588
Число страниц6
Том683
ISBN (печатное издание)9783038357292
DOI
СостояниеОпубликовано - 2016
Событие12th International Conference on Prospects of Fundamental Sciences Development, PFSD 2015 - Tomsk, Российская Федерация
Продолжительность: 21 апр 201524 апр 2015

Серия публикаций

НазваниеKey Engineering Materials
Том683
ISSN (печатное издание)1013-9826

Конференция

Конференция12th International Conference on Prospects of Fundamental Sciences Development, PFSD 2015
СтранаРоссийская Федерация
ГородTomsk
Период21.4.1524.4.15

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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