@article{oai:nifs-repository.repo.nii.ac.jp:00000372,
 author = {KATO,  Daiji and IWAKIRI,  Hirotomo and MORISHITA,  Kazunori and MUROGA,  Takeo},
 journal = {Plasma and Fusion Research},
 month = {Jul},
 note = {Negative binding energies between interstitial C (octahedral) and H (tetrahedral) in a bulk crystal of W (bcc) were obtained with the first-principle calculations, which indicate repulsive interaction in the interstitial C-H pair. The electron cloud associated to the each interstitial atom was analyzed with Bader's method. This analysis gives negative fractional charges of ?0.35 and ?0.37 for the interstitial C and H, respectively, supporting the repulsive interaction between them. Interstitial diffusion of C was studied including influences of ambient H atoms in the mean field approximation and the ergodic assumption. The calculated diffusion coefficients are significantly increased by the repulsive interaction with the H atoms.},
 title = {Interstitial Diffusion of C Interacting with Ambient H in Tungsten Crystals},
 volume = {Vol.6},
 year = {2011}
}