Atomistic simulation of nanocrystalline materials
Conference
·
OSTI ID:198869
Atomistic simulations show that high-energy grain boundaries in nanocrystalline copper and nanocrystalline silicon are highly disordered. In the case of silicon the structures of the grain boundaries are essentially indistinguishable from that of bulk amorphous silicon. Based on a free-energy argument, we suggest that below a critical grain size nanocrystalline materials should be unstable with respect to the amorphous phase.
- Research Organization:
- Argonne National Lab., IL (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States); Deutsche Forschungsgemeinschaft, Bonn (Germany); Max-Planck-Gesellschaft zur Foerderung der Wissenschaften e.V., Muenchen (Germany); Alexander von Humboldt-Stiftung, Bonn (Germany)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 198869
- Report Number(s):
- ANL/MSD/CP--88801; CONF-951155--58; ON: DE96007254
- Country of Publication:
- United States
- Language:
- English
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