Simulation of diffusion of hydrogen atoms in the lattice of tungsten

19th Conference on Plasma Surface Interactions

Degtyarenko, N.N.^1 ; Pisarev, A.A.^1

National Research, Nuclear University, MEPhI (Moscow Engineering Physics Institute), 31 Kashirskoe highway, Moscow

115409, Russia^1

关键词: DFT calculation;    Hydrogen atoms;    Interstitial hydrogen;    Temperature dependence;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/748/1/012010/pdf
DOI  :  10.1088/1742-6596/748/1/012010

来源: IOP

【 摘 要 】

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.