Atom configurations in Pd-Au and Pd-Au-D alloys: A neutron total scattering and Reverse Monte Carlo study

Diana E. Nanu, Matthew G. Tucker, Wim G. Haije, Jaap F. Vente, Amarante J. Böttger

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

The effect of the alloying elements on the distribution of deuterium in Pd-Au has been investigated by total neutron scattering. The data are analyzed by Reverse Monte Carlo modeling in order to assess the type of interstitial sites occupied with deuterium and how this is correlated with the distribution of the Pd and Au atoms on the host metal lattice. The results show that in Pd-Au alloys deuterium occupies both octahedral and tetrahedral interstitial sites: the overall occupancy of tetrahedral sites increases with increasing Au content and decreasing overall D content. Short-range ordering (SRO) is identified in the D occupancy of interstitial sites in the sample with higher Au content. Indications of SRO and D-induced reorganization in the metal lattice are discussed.

Original languageEnglish
Pages (from-to)5502-5510
Number of pages9
JournalActa Materialia
Volume58
Issue number16
DOIs
StatePublished - Sep 2010
Externally publishedYes

Funding

The authors gratefully acknowledge ir. W.J. Legerstee and Dr. S.W.H. Eijt from the Department of Radiation, Radionuclides and Reactors of Delft University of Technology for helping with sample preparation. This work is part of a joint research program of the Materials innovation institute (M2i) – the former Netherlands Institute for Metals Research, and the Stichting voor Fundamenteel Onderzoek der Materie (FOM), financially supported by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO). Further financial support was received through Senter-Novem EOS-LT08008: Consortium Inorganic Membrane Technology. The neutron diffraction work at ISIS was made possible through an NWO and STFC grant.

Keywords

  • Interstitials
  • Neutron diffraction
  • RMC modeling
  • Short-range ordering
  • Transition metals

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