Quantum mechanical ab-initio simulation of the electron screening effect in metal deuteride crystals

Simple item page
dc.creatorHuke, A.
dc.creatorCzerski, K.
dc.creatorChun, S. M.
dc.creatorBiller, A.
dc.creatorHeide, P.
dc.date2008-03-07
dc.date.accessioned2026-07-07T11:14:17Z
dc.date.available2026-07-07T11:14:17Z
dc.descriptionIn antecedent experiments the electron screening energies of the d+d reactions in metallic environments have been determined to be enhanced by an order of magnitude in comparison to the case of gaseous deuterium targets. The analytical models describing averaged material properties have not been able to explain the experimental results so far. Therefore, a first effort has been undertaken to simulate the dynamics of reacting deuterons in a metallic lattice by means of an ab-initio Hartree-Fock calculation of the total electrostatic force between the lattice and the successively approaching deuterons via path integration. The calculations have been performed for Li and Ta, clearly showing a migration of electrons from host metallic to the deuterium atoms. However, in order to avoid more of the necessary simplifications in the model the utilization of a massive parallel supercomputer would be required.
dc.description11 pages, 12 figures, svjour class. To be published in Eur. Phys. J. A
dc.identifierhttps://arxiv.org/abs/0803.1071
dc.identifierhttp://arxiv.org/abs/0803.1071
dc.identifierEur.Phys.J.A35:243-252,2008
dc.identifierdoi:10.1140/epja/i2007-10532-1
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/192017
dc.subjectNuclear Theory
dc.titleQuantum mechanical ab-initio simulation of the electron screening effect in metal deuteride crystals
dc.typetext

Files

Collections

arXiv