Shear Stresses in Shock-Compressed Covalent Solids
Abstract
Shear stresses are the driving forces for the creation of both point and extended defects in crystals subjected to high pressures and temperatures. Recently, we observed anomalous elastic materials response in shock-compressed silicon and diamond in the course of our MD simulations and were able to relate this phenomenon to non-monotonic dependence of shear stress on uniaxial compression of the material. Here we report results of combined density functional theory (DFT) and classical interatomic potentials studies of shear stresses in shock compressed covalent solids such as diamond and silicon for three low-index crystallographic directions, <100>, <110>, <111>. We observed a non-monotonic dependence of DFT shear stresses for all three crystallographic directions which indicates that anomalous elastic response of shock compressed material is a real phenomenon and not an artifact of interatomic potentials used in MD simulations.
Additional Information
© 2006 American Institute of Physics. IIO is supported by NSF-NIRT (ECS-0404137) and ARO-MURI (W901 1NF-05-1-0266). Funding at Caltech was provided by ONR and ARO-MURI. CTW is supported by ONR directly and through Naval Research Laboratory.Attached Files
Published - OLEaipcp06b.pdf
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Additional details
- Eprint ID
- 5140
- Resolver ID
- CaltechAUTHORS:OLEaipcp06b
- ECS-0404137
- NSF
- W901 1NF-05-1-0266
- Army Research Office (ARO)
- Office of Naval Research (ONR)
- Naval Research Laboratory
- Created
-
2006-10-03Created from EPrint's datestamp field
- Updated
-
2023-06-01Created from EPrint's last_modified field
- Series Name
- AIP Conference Proceedings
- Series Volume or Issue Number
- 845