Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipated based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1406881
- Report Number(s):
- SAND-2017-11595; 658172
- Country of Publication:
- United States
- Language:
- English
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