2014/01/18 by Ivaylo H. Katzarov, Katzarov, Ivaylo H., A. T. Paxton +2
Earth and Planetary Sciences · Physics and Astronomy · #Advanced Chemical Physics Studies #Cold Fusion and Nuclear Reactions #Quantum, superfluid, helium dynamics #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1401.4530
Paper to be presented at the second international conference on metals and hydrogen, Ghent, 5-7 May 2014
arxiv created 2014/01/18 · arxiv updated 2014/01/21
We apply quantum rate theory to calculate the transition rates as hydrogen or deuterium atoms escape from a vacancy trap in iron into a neighbouring metastable site. We determine transition rates and corresponding activation energies over a wide range of temperatures covering both the quantum and classically dominated regimes. We find that quantum effects lead to an increase of the transition rate activation energy and to very significant recrossing of the transition state dividing surface. As a result of recrossing quantum transition state theory overestimates the rate of proton transfer by more than an order of magnitude and the rate of deuteron transfer by a factor of two.