Solution of the Atomic Structure of the Σ=5 (310) [001] Grain Boundary in Nial by Hrem and Atomistic Simulations

1994 ◽  
Vol 364 ◽  
Author(s):  
R. W. Fonda ◽  
M. Yan ◽  
D. E. Luzzi

AbstractThe atomic structure of the Σ = 5 (310) [001] grain boundary in NiAl has been determined by a synergistic approach combining high resolution electron microscopy (HREM) and atomistic structure calculations. A bicrystal of controlled orientation was produced by diffusion bonding and imaged with the electron beam parallel to the [001] tilt axis. The results showed that the material remains chemically ordered up to the boundary plane. Atomistic structure calculations employed N-body empirical potentials developed for the NiAl phase to examine the changes in interfacial energy due to the incorporation of various point defects at the grain boundary. A self-consistent model structure was determined which was of lowest energy and produced calculated images which matched experimental images of the boundary. Monte Carlo simulations confirm the stability of this structure at finite temperatures.

1999 ◽  
Vol 589 ◽  
Author(s):  
V. Potin ◽  
G. Nouet ◽  
P. Ruterana ◽  
R.C. Pond

AbstractThe studied GaN layers are made of mosaYc grains rotated around the c-axis by angles in the range 0-25°. Using high-resolution electron microscopy, anisotropic elasticity calculations and image simulation, we have analyzed the atomic structure of the edge threading dislocations. Here, we present an analysis of the Σ = 7 boundary using circuit mapping in order to define the Burgers vectors of the primary and secondary dislocations. The atomic structure of the primary ones was found to exhibit 5/7 and 8 atom cycles.


Author(s):  
C. C. Chu ◽  
F.-R. Chen ◽  
C.-Y. Wang ◽  
L. Chang

In the past, extensive high resolution electron microscopy has been applied to the atomic structure of grain boundaries of cubic symmetry. In order to have a better understanding of generalization of the grain boundary theory, it could be fruiful to study grain boundary structure of non-cubic and low symmetry crystals in which case the exact CSL’s may not exist. Al2O3 has a hexagonal crystal structure ( non-cubic). In the case of hexagonal crystals, three dimensional coincidence site lattices (CSL’s) are only possible for rational values of (c/a), except for rotations about the [0001] axis. The (c/a) of α-Al2O3 is very close to a rational number (15/2) such that constrained coincidence-site lattice (CCSL) misorientations can be found. In this research, we study the atomic structure of Σ7 grain boundary. The misonentation of Σ7 is [011]/180°. The bicrystals of Σ7 were made by diffusion bonding in high temperature and high vacuum.Figs. 1 (a) and (b). show typical HRTEM images of Σ7 Al2O3 boundary recorded at the underfocus values -48 nm and -96 nm, respectively. The beam direction is parallel to a common axis [20].


Author(s):  
W. Krakow ◽  
D. A. Smith

The successful determination of the atomic structure of [110] tilt boundaries in Au stems from the investigation of microscope performance at intermediate accelerating voltages (200 and 400kV) as well as a detailed understanding of how grain boundary image features depend on dynamical diffraction processes variation with specimen and beam orientations. This success is also facilitated by improving image quality by digital image processing techniques to the point where a structure image is obtained and each atom position is represented by a resolved image feature. Figure 1 shows an example of a low angle (∼10°) Σ = 129/[110] tilt boundary in a ∼250Å Au film, taken under tilted beam brightfield imaging conditions, to illustrate the steps necessary to obtain the atomic structure configuration from the image. The original image of Fig. 1a shows the regular arrangement of strain-field images associated with the cores of ½ [10] primary dislocations which are separated by ∼15Å.


Author(s):  
J.L. Batstone ◽  
J.M. Gibson ◽  
Alice.E. White ◽  
K.T. Short

High resolution electron microscopy (HREM) is a powerful tool for the determination of interface atomic structure. With the previous generation of HREM's of point-to-point resolution (rpp) >2.5Å, imaging of semiconductors in only <110> directions was possible. Useful imaging of other important zone axes became available with the advent of high voltage, high resolution microscopes with rpp <1.8Å, leading to a study of the NiSi2 interface. More recently, it was shown that images in <100>, <111> and <112> directions are easily obtainable from Si in the new medium voltage electron microscopes. We report here the examination of the important Si/Si02 interface with the use of a JEOL 4000EX HREM with rpp <1.8Å, in a <100> orientation. This represents a true structural image of this interface.


Author(s):  
Y. Y. Wang ◽  
H. Zhang ◽  
V. P. Dravid ◽  
H. Zhang ◽  
L. D. Marks ◽  
...  

Azuma et al. observed planar defects in a high pressure synthesized infinitelayer compound (i.e. ACuO2 (A=cation)), which exhibits superconductivity at ~110 K. It was proposed that the defects are cation deficient and that the superconductivity in this material is related to the planar defects. In this report, we present quantitative analysis of the planar defects utilizing nanometer probe xray microanalysis, high resolution electron microscopy, and image simulation to determine the chemical composition and atomic structure of the planar defects. We propose an atomic structure model for the planar defects.Infinite-layer samples with the nominal chemical formula, (Sr1-xCax)yCuO2 (x=0.3; y=0.9,1.0,1.1), were prepared using solid state synthesized low pressure forms of (Sr1-xCax)CuO2 with additions of CuO or (Sr1-xCax)2CuO3, followed by a high pressure treatment.Quantitative x-ray microanalysis, with a 1 nm probe, was performed using a cold field emission gun TEM (Hitachi HF-2000) equipped with an Oxford Pentafet thin-window x-ray detector. The probe was positioned on the planar defects, which has a 0.74 nm width, and x-ray emission spectra from the defects were compared with those obtained from vicinity regions.


Author(s):  
M.J. Kim ◽  
Y.L. Chen ◽  
R.W. Carpenter ◽  
J.C. Barry ◽  
G.H. Schwuttke

The structure of grain boundaries (GBs) in metals, semiconductors and ceramics is of considerable interest because of their influence on physical properties. Progress in understanding the structure of grain boundaries at the atomic level has been made by high resolution electron microscopy (HREM) . In the present study, a Σ=13, (510) <001>-tilt grain boundary in silicon was characterized by HREM in conjunction with digital image processing and computer image simulation techniques.The bicrystals were grown from the melt by the Czochralski method, using preoriented seeds. Specimens for TEM observations were cut from the bicrystals perpendicular to the common rotation axis of pure tilt grain boundary, and were mechanically dimpled and then ion-milled to electron transparency. The degree of misorientation between the common <001> axis of the bicrystal was measured by CBED in a Philips EM 400ST/FEG: it was found to be less than 1 mrad. HREM was performed at 200 kV in an ISI-002B and at 400 kv in a JEM-4000EX.


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