Connection between grain boundary structure and energy
High-resolution electron-microscopy (HREM) experiments are combined with computer simulations of <110> tilt grain boundaries (GBs) in Au to investigate the correlations between atomic-scale GB structure and energy. The energies calculated for a variety of symmetric and asymmetric GBs suggest that asymmetric GB-plane orientations are often preferred over symmetric ones. Experimentally the observed faceting behavior agrees with the computed energies. Computer simulations suggest general interrelations between GB energy and (i) volume expansion and (ii) the number of broken bonds per unit area of GB. These atomic-scale microstructural GB parameters, as evaluated from HREM observations, can be compared to simulation results. The fact that asymmetric GBs often are low in energy may be of considerable important for grain growth in polycrystalline materials. 21 refs., 8 figs.
- 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:
- 5693727
- Report Number(s):
- ANL/CP-73327-Rev.; CONF-9106101--1-Rev.; ON: DE91015558
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360102* -- Metals & Alloys-- Structure & Phase Studies
ASYMMETRY
BICRYSTALS
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
CRYSTALS
DIFFUSION
ELECTRON MICROSCOPY
ELEMENTS
GOLD
GRAIN BOUNDARIES
GRAIN GROWTH
GRAIN ORIENTATION
MEETINGS
METALS
MICROSCOPY
MICROSTRUCTURE
ORIENTATION
POLYCRYSTALS
SIMULATION
SYMMETRY
TRANSITION ELEMENTS