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Deuterium clusters in a strained palladium lattice

Published online by Cambridge University Press:  31 January 2011

Vittorio Rosato  and
Fabrizio Cleri
Vittorio Rosato
Affiliation:
Dipartimento Tecnologie Intersettoriali di Base, Divisione Materiali, E.N.E.A.–Centro Ricerche Energia Casaccia, P.O. Box 2400, I-00100 Roma A.D., Italy
Fabrizio Cleri
Affiliation:
Dipartimento Reattori Veloci, Divisione Metodi di Progetto, E.N.E.A.–Centro Ricerche Energia Casaccia, P.O. Box 2400, I-00100 Roma A.D., Italy
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Abstract

We report a first observation, of the behavior of clusters of deuterium atoms confined in a lattice vacancy in a Pd crystal, either at equilibrium or under the influence of externally applied lattice strains. Molecular dynamics simulations have been performed on both Pd perfect crystals and Pd crystals with a single vacancy, showing the energetic behavior and the dynamical values of the interatomic distance among deuterium atoms belonging to clusters of different sizes confined within the vacancy. At low temperatures, the smallest interatomic D-D distances are of the order of the D2 molecular bond length and are obtained during the transitory regimes induced by hydrostatic strains applied to the lattice.

Type
Articles
Information
Journal of Materials Research , Volume 5 , Issue 10 , October 1990 , pp. 2094 - 2099
Copyright
Copyright © Materials Research Society 1990

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