Tungsten (W) was
considered as one important candidate for the
magnetically constrained plasma first wall materials. The H impurities
have a strong influence on the mechanical and thermal properties of
the W metal and seriously affect its service life. From first-principles
calculations, we studied the influence of interstitial H on the mechanical
and thermodynamic parameters such as elastic constant, elastic modulus,
free energy, entropy, expansion coefficient, and phonon thermal conductivity
of W. In particular, the temperature- and H concentration-dependent
parameters are calculated, and the effect of H concentration on material’s
performance is summarized. The results show that the mechanical strength
of W metal decreases with the increase of H concentration. On the
other hand, H impurity improves the ductility of the W metal, in agreement
with previous reports in the literature. The thermal expansion coefficients
of W increase with H impurity concentration. The phonon thermal conductivity
of W is also strongly affected by H impurities, and it decreases with
the increase of H concentration. These results suggest that H impurity
is one important reason for the material degradation of W as a first
wall material.