Atomic Structure and Electronic State of <110> Symmetric Tilt Boundaries in Palladium

In the present study, grain boundary energy and atomic structure of <110> symmetric tilt boundaries in copper were evaluated by molecular dynamics (MD) simulation. From the simulations, the grain boundary energy of <110> symmetric tilt boundaries depended on misorientation angle and there were large energy cusps at the misorientation angles which corresponded to (111) S 3 and (113) S 11 symmetric tilt boundaries. It was found that the atomic structure of each <110> symmetric tilt boundary was described by the combination of three kinds of structural units which consisted of (331) S 19, (111) S 3 and (113) S 11 symmetric tilt boundaries and two single crystal units which consisted of (110) S 1and (001) S 1 single crystals. From the the analysis of the excess free volume in each grain boundary, it was found that the energy of structural units depended on the excess free volume of the units and that the misorientation dependence of grain boundary energy agreed with that of the free volume in grain boundaries.

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Grain Boundary Energy and Atomic Structure of Symmetric Tilt Boundaries in Copper

Journal of the Japan Institute of Metals and Materials ◽

10.2320/jinstmet.68.240 ◽

2004 ◽

Vol 68 (4) ◽

pp. 240-246 ◽

Cited By ~ 7

Author(s):

Naoki Takata ◽

Ken-ichi Ikeda ◽

Fuyuki Yoshida ◽

Hideharu Nakashima ◽

Hiroshi Abe

Keyword(s):

Grain Boundary ◽

Atomic Structure ◽

Boundary Energy ◽

Grain Boundary Energy ◽

Symmetric Tilt ◽

Tilt Boundaries

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Atomic Structure Calculations of the Interaction between Lattice Dislocations and Grain Boundaries

MRS Proceedings ◽

10.1557/proc-193-205 ◽

1990 ◽

Vol 193 ◽

Author(s):

B. J. Pestman ◽

J. Th. M. De Hosson ◽

V. Vitek ◽

F. W. Schapink

Keyword(s):

Grain Boundaries ◽

Atomic Structure ◽

Many Body ◽

Screw Dislocations ◽

Symmetric Tilt ◽

Ordered Alloys ◽

Atomistic Calculations ◽

Tilt Boundaries ◽

Atomic Structure Calculations ◽

Structure Calculations

ABSTRACTThe interaction between screw dislocations and [1 1 0] symmetric tilt boundaries is investigated by atomistic calculations. In order to study the differences between fcc and ordered alloys and to study the effect of increasing ordering tendency, many-body potentials representing Cu, Cu3Au and Ni3Al were used. For the ordered alloys, the different possible ordering configurations of the boundaries that were studied are discussed.

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Misorientation dependence of atomic structure and energy of symmetric tilt boundaries in magnesium

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2018.1524160 ◽

2018 ◽

Vol 98 (36) ◽

pp. 3235-3246 ◽

Cited By ~ 1

Author(s):

A. Ostapovets ◽

A. D. Sheikh-Ali

Keyword(s):

Atomic Structure ◽

Symmetric Tilt ◽

Tilt Boundaries

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High-resolution electron microscopy of the atomic structure of some grain boundaries in Au

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100143663 ◽

1986 ◽

Vol 44 ◽

pp. 414-415

Author(s):

W. Krakow ◽

D. A. Smith

Keyword(s):

Atomic Structure ◽

High Resolution Electron Microscopy ◽

Image Features ◽

Image Feature ◽

Resolution Electron ◽

Tilt Boundaries ◽

Processing Techniques ◽

Atom Position ◽

Structure Configuration

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.

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ATOMIC STRUCTURE OF TILT BOUNDARIES IN Mo BICRYSTALS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1988507 ◽

1988 ◽

Vol 49 (C5) ◽

pp. C5-87-C5-97 ◽

Cited By ~ 1

Author(s):

J.-M. PENISSON

Keyword(s):

Atomic Structure ◽

Tilt Boundaries

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Atomic Structure and Property Correlation in Pulsed Laser Deposited High -Tc Films

MRS Proceedings ◽

10.1557/proc-526-281 ◽

1998 ◽

Vol 526 ◽

Author(s):

R. Kalyanaraman ◽

S. Oktyabrsky ◽

K. Jagannadham ◽

J. Narayan

Keyword(s):

Electron Microscopy ◽

Transmission Electron Microscopy ◽

Grain Boundaries ◽

Atomic Structure ◽

Substrate Surface ◽

Pulsed Laser ◽

Structure And Property ◽

Transmission Electron ◽

Tilt Boundaries ◽

Z Contrast

AbstractThe atomic structure of grain boundaries in pulsed laser deposited YBCO/MgO thin films have been studied using transmission electron microscopy. The films have perfect texturing with YBCO(001)//MgO(001), giving rise to low-angle [001] tilt boundaries from the grains with the c-axis normal to substrate surface. Low angle grain boundaries have been found to be aligned preferentially along (100) and (110) interface planes. The energy of (110) boundary planes described by an alternating array of [100] and [010] dislocation is found to be comparable to the energy of a (100) boundary. The existence of these split dislocations is shown to further reduce the theoretical current densities of these boundaries indicating that (110) boundaries carry less current as compared to (100) boundaries of the same misorientation angle. Further, Z-contrast transmission electron microscopy of a 42° asymmetric high-angle grain boundary of YBCO shows evidence for the existence of boundary fragments and a reduced atomic density along the boundary plane

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