Now showing items 1-3 of 3
Singular behavior of the Debye-Waller factor of graphene
It is shown that the mean-square displacement or the exponent of the Debye-Waller factor of graphene has a singularity except at zero temperature. The zero-temperature values of the mean-square displacement are calculated ...
Parametric interatomic potential for graphene
A parametric interatomic potential is constructed for graphene. The potential energy consists of two parts: a bond energy function and a radial interaction energy function. The bond energy function is based on the ...
Hydrogenation of magnesium nanoblades: The effect of concentration dependent hydrogen diffusion
By assuming the H diffusion coefficient and H adsorption rate to be exponentially and linearly dependent on concentration, a physical model is developed to predict the hydrogenation process of Mg nanoblades. The predicted ...