30 citations · 53 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2013★ 23 cited
A fully quantum mechanical calculation of the diffusivity of hydrogen in iron using the tight binding approximation and path integral theory
I. H. Katzarov, A. T. Paxton, D. L. Pashov
We present calculations of free energy barriers and diffusivities as functions of temperature for the diffusion of hydrogen in bcc-Fe. This is a fully quantum mechanical approach s…
cond-mat.mtrl-sci2013★ 30 cited
Analysis of a carbon dimer bound to a vacancy in iron using density functional theory and a new tight binding model
A. T. Paxton, C. Elsaesser
Recent density functional theory (DFT) calculations by Foerst et al. have predicted that vacancies in both low and high carbon steels have a carbon dimer bound to them. This is lik…