Creator |
|
|
|
|
Language |
|
Publisher |
|
|
Date |
|
Source Title |
|
Vol |
|
First Page |
|
Last Page |
|
Publication Type |
|
Access Rights |
|
JaLC DOI |
|
Abstract |
We investigate superabundant vacancy formation induced by hydrogen (H) in tungsten (W) in terms of an equilibrium thermodynamic model. Stable configulations of multiple H atoms trapped in a W vacancy ...and binging enegies are estimated by first-principle calculations. The structures of H atoms in a W vacancy are abnormal compared with those in usual bcc transition metals, that is, a maximum of 12 H atoms can be accommodated in the vacancy. Isotope effects are examined by taking into account zero point vibration energies of the H atoms. The profiles of vacancy-hydrogen (V-H) cluster concentrations in a bulk tungsten are calculated as a function of the H concentration at finite temperature. V-H clusters trapping more than six H atoms exist in the present model. However, the major V-H clusters are composed of six H atoms in a wide range of temperature and H concentration.show more
|