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Correlations Between Grain Boundary Structure and Energy

Conference · · Materials Research Society Symposia Proceedings
DOI:https://doi.org/10.1557/proc-229-185· OSTI ID:5533631
 [1];  [1]
  1. Argonne National Laboratory (ANL), Argonne, IL (United States)
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High-resolution electron-microscopy (HREM) and computer simulations of <110> tilt grain boundaries (GBs) in Au are used to investigate 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. The experimentally observed faceting behavior agrees with the computed energies. Computer simulations indicate 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, are compared to simulation results.
Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
DOE Contract Number:
W-31109-ENG-38
OSTI ID:
5533631
Report Number(s):
ANL/CP--71904; CONF-910406--27; CONF-9106236--1; ON: DE91015204
Conference Information:
Journal Name: Materials Research Society Symposia Proceedings Journal Volume: 229
Country of Publication:
United States
Language:
English

References (13)

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Physical Properties of Grain-Boundary Materials: Comparison of EAM and Central-Force Potentials book January 1989

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Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals &amp; Alloys-- Structure &amp; Phase Studies
ALKALI METAL COMPOUNDS
CHLORIDES
CHLORINE COMPOUNDS
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
ELECTRON MICROSCOPY
ELEMENTS
GOLD
GRAIN BOUNDARIES
HALIDES
HALOGEN COMPOUNDS
METALS
MICROSCOPY
MICROSTRUCTURE
SIMULATION
SODIUM CHLORIDES
SODIUM COMPOUNDS
TRANSITION ELEMENTS