Comparisons of observed and simulated atomic structures of Pd/NiO heterophase interfaces

Conference · Wed Jan 01 04:00:00 EST 1992

OSTI ID:6773402

Buckett, M I; Shaffer, J P; Merkle, K L

High-resolution electron microscopy (HREM) and image simulation using the multislice algorithm were used to study the atomic structure of a Pd/NiO (111) interface in an internally oxidized sample. These samples have cube-on-cube oriented or twin-related precipitates whose (111) interfaces exhibit a contrast modulation along the boundary plane in the HREM image. Previous studies have reported that the observed structural period of this modulation corresponds qualitatively to the expected spacing if the boundary were composed of a network of misfit dislocations. In this study, rigid models of the (111) interface as viewed from the [110] direction were simulated using the EMS suite of programs. The questions addressed are whether the terminating plane on the oxide side is made up of a Ni or an O layer, and whether a rigid body translation normal to the interface exists. Results of simulations are compared and contrasted to through-focal experimental images to investigate the origin of the contrast modulations and their possible relation to the extent of the misfit localization in these systems. 6 figs, 1 tab, 11 refs.

• Research Organization: Argonne National Lab., IL (United States)
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6773402
• Report Number(s): ANL/MSD/CP-76596; CONF-921101--70; ON: DE93006418
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102 -- Metals & Alloys-- Structure & Phase Studies
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
CHALCOGENIDES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
DISLOCATIONS
ELECTRON MICROSCOPY
ELEMENTS
INTERFACES
LINE DEFECTS
METALS
MICROSCOPY
NICKEL COMPOUNDS
NICKEL OXIDES
OXIDES
OXYGEN COMPOUNDS
PALLADIUM
PLATINUM METALS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS