Reconstruction of a high-angle twist grain boundary by grand-canonical simulated quenching
Conference
·
OSTI ID:10115791
A formalism for obtaining the zero-temperature structure of mono- component solids by simulated quenching in the grand-canonical ensemble is outlined. The structure of a high-angle twist grain boundary on the (110) plane of an fcc metal is investigated. The lowest energy structure is found to be a twinned structure with a density approximately 20% higher than the structure obtained from canonical-ensemble energy-minimization.
- Research Organization:
- Argonne National Lab., IL (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States); Department of Defense, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 10115791
- Report Number(s):
- ANL/CP--74996; CONF-911202--35; ON: DE92005216; CNN: N00014-88-F-0019
- Country of Publication:
- United States
- Language:
- English
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