Simulation of diffusion of hydrogen atoms in the lattice of tungsten

Results of DFT calculations of the activation energy for diffusion and vibrational spectra of interstitial hydrogen atoms in the lattice of tungsten are presented. The temperature dependences of the diffusion coefficient are calculated and compared with experimental data.

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Bibliographic Details
Published in:Journal of physics. Conference series 2016-09, Vol.748 (1), p.12010
Main Authors: Degtyarenko, N N, Pisarev, A A
Format: Article
Language:English
Subjects:
Diffusion
Diffusion coefficient
Hydrogen atoms
Mathematical analysis
Physics
Tungsten
Vibrational spectra
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Description
Summary:Results of DFT calculations of the activation energy for diffusion and vibrational spectra of interstitial hydrogen atoms in the lattice of tungsten are presented. The temperature dependences of the diffusion coefficient are calculated and compared with experimental data.
ISSN:1742-6588
1742-6596
1742-6596
DOI:10.1088/1742-6596/748/1/012010