Atomic Structure of a Polar Ceramic/Metal Interface: {222}MgO/Cu

1997 ◽  
Vol 492 ◽  
Author(s):  
R. Benedek ◽  
D. A. Shashkov ◽  
D. N. Seidman ◽  
D. A. Muller ◽  
J. Silcox ◽  
...  

ABSTRACT{222}MgO/Cu is one of the most extensively characterized ceramic/metal interfaces, in view of the atom-probe field-ion-microscopy, Z-contrast scanning-transmission-electron-microscopy (STEM), and spatially-resolved electron-energy-loss-spectroscopy (EELS) measurements performed by the present authors, as well as the high-resolution electron microscopy (HREM) of this system by others. Atomistic simulations with local density functional theory (LDFT) and molecular dynamics (MD) have been performed to gain additional insight into the structure of this interface. This presentation describes an interface interatomic potential for {222}MgO/Cu derived from LDFT total energy calculations, and its application to structural properties, including the terminating species, the absence of dislocation standoff, and the symmetry of the interfacial dislocation network.

Author(s):  
J. R. Michael ◽  
K. A. Taylor

Although copper is considered an incidental or trace element in many commercial steels, some grades contain up to 1-2 wt.% Cu for precipitation strengthening. Previous electron microscopy and atom-probe/field-ion microscopy (AP/FIM) studies indicate that the precipitation of copper from ferrite proceeds with the formation of Cu-rich bcc zones and the subsequent transformation of these zones to fcc copper particles. However, the similarity between the atomic scattering amplitudes for iron and copper and the small misfit between between Cu-rich particles and the ferrite matrix preclude the detection of small (<5 nm) Cu-rich particles by conventional transmission electron microscopy; such particles have been imaged directly only by FIM. Here results are presented whereby the Cu Kα x-ray signal was used in a dedicated scanning transmission electron microscope (STEM) to image small Cu-rich particles in a steel. The capability to detect these small particles is expected to be helpful in understanding the behavior of copper in steels during thermomechanical processing and heat treatment.


Author(s):  
Amanda K. Petford-Long ◽  
A. Cerezo ◽  
M.G. Hetherington

The fabrication of multilayer films (MLF) with layer thicknesses down to one monolayer has led to the development of materials with unique properties not found in bulk materials. The properties of interest depend critically on the structure and composition of the films, with the interfacial regions between the layers being of particular importance. There are a number of magnetic MLF systems based on Co, several of which have potential applications as perpendicular magnetic (e.g Co/Cr) or magneto-optic (e.g. Co/Pt) recording media. Of particular concern are the effects of parameters such as crystallographic texture and interface roughness, which are determined by the fabrication conditions, on magnetic properties and structure.In this study we have fabricated Co-based MLF by UHV thermal evaporation in the prechamber of an atom probe field-ion microscope (AP). The multilayers were deposited simultaneously onto cobalt field-ion specimens (for AP and position-sensitive atom probe (POSAP) microanalysis without exposure to atmosphere) and onto the flat (001) surface of oxidised silicon wafers (for subsequent study in cross-section using high-resolution electron microscopy (HREM) in a JEOL 4000EX. Deposi-tion was from W filaments loaded with material in the form of wire (Co, Fe, Ni, Pt and Au) or flakes (Cr). The base pressure in the chamber was around 8×10−8 torr during deposition with a typical deposition rate of 0.05 - 0.2nm/s.


1997 ◽  
Vol 3 (4) ◽  
pp. 333-338 ◽  
Author(s):  
R. Benedek ◽  
D.N. Seidman ◽  
L.H. Yang

Abstract: Atomistic simulations were performed for the {222}MgO/Cu interface by local density functional theory (LDFT) methods, within the plane-wave-pseudopotential representation, and by (classical) molecular dynamics and statics. The electronic spectra obtained with LDFT calculations showed a localized interface state within the bulk MgO gap, approximately 1 eV above the MgO valence band edge. LDFT adhesive energy calculations, as a function of interface spacing and translations parallel to the interface, were employed to devise an interatomic potential suitable for large-scale atomistic simulation. The interface structure, which was obtained with molecular dynamics (and statics) calculations based on the resultant potential, exhibited a misfit dislocation network with trigonal symmetry, and no standoff dislocations.


Minerals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 727
Author(s):  
Shiyun Jin ◽  
Huifang Xu ◽  
Seungyeol Lee

The enigmatic Bøggild intergrowth in iridescent labradorite crystals was revisited in light of recent work on the incommensurately modulated structures in the intermediated plagioclase. Five igneous samples and one metamorphic labradorite sample with various compositions and lamellar thicknesses were studied in this paper. The lamellar textures were characterized with conventional transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). The compositions of individual lamellae were analyzed with high-resolution energy-dispersive X-ray spectroscopy (EDS) mapping and atom probe tomography (APT). The average structure states of the studied samples were also compared with single-crystal X-ray diffraction data (SC-XRD). The Na-rich lamellae have a composition of An44–48, and the Ca-rich lamellae range from An56 to An63. Significant differences between the lamellar compositions of different samples were observed. The compositions of the Bøggild intergrowth do not only depend on the bulk compositions, but also on the thermal history of the host rock. The implications on the subsolidus phase relationships of the plagioclase feldspar solid solution are discussed. The results cannot be explained by a regular symmetrical solvus such as the Bøggild gap, but they support an inclined two-phase region that closes at low temperature.


Author(s):  
Hidenori Terasaki ◽  
Tomohiro Tanaka ◽  
Masamitsu Abe ◽  
Mitsuyoshi Nakatani

We investigated the effects of post-weld heat treatment conditions on the microstructure of the multi-pass submerged arc weld metal of 9Cr-1Mo-V steel used in pressure vessels. The microstructural properties were analyzed under three conditions (as-weld, Larson-Miller parameter (LMP) = 21.38 × 103, and LMP = 21.99 × 103). The precipitation behavior was observed using scanning electron microscopy, and the difference in precipitation behavior in the “as-welded” and “reheated” regions of the prepared multi-pass weld metal was clarified at the different LMP values. The precipitate was analyzed using scanning transmission electron microscopy. An oxide and two types of precipitates were identified, and a dislocation network pinned by MX-type carbides was visualized under the low-LMP condition. The effects of LMP on the effective grain size and dislocation amount were also evaluated using electron back-scattering diffraction. All microstructural change along the LMP had a positive effect on the toughness of weld metal.


1986 ◽  
Vol 82 ◽  
Author(s):  
J. Bentley ◽  
M. K. Miller

ABSTRACTThe capabilities and complementary nature of atom probe field-ion microscopy (APFIM) and analytical electron microscopy (AEM) for the characterization of finescale microstructures are illustrated by examination of the changes that occur after long term thermal aging of cast CF 8 and CF 8M duplex stainless steels. In material aged at 300 or 400°C for up to 70,000 h, the ferrite had spinodally decomposed into a modulated fine-scaled interconnected network consisting of an iron-rich α′ phase and a chromium-enriched α phase with periodicities of between 2 and 9 nm. G-phase precipitates 2 to 10 nm in diameter were also observed in the ferrite at concentrations of more than 1021 m−3. The reported degradation in mechanical properties is most likely a consequence of the spinodal decomposition in the ferrite.


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