Hydrogen and deuterium diffusion in lithium hydride

摘要

Hydrogen is considered a promising candidate to achieve an alternative source to overcome future energy supply problems. Very recently, an ab initio molecular dynamics study of the hydrogen diffusion in sodium and lithium hydrides appeared by Ramzan and Ahuja [J. Appl. Phys. 106, 016104 (2009)]. Here, we alternatively report the calculation of the temperature dependence of the diffusion coefficients of hydrogen and deuterium in LiH in terms of a thermodynamical model. The resulting values agree fairly well with experimental data.