The ideal strength of tungsten
- LBNL Library
Using pseudopotential density functional theory within the local-density approximation, we calculate the ideal shear strengths of W for slip on {l_brace}110{r_brace}, {l_brace}112{r_brace} and {l_brace}123{r_brace} planes allowing for complete structural relaxation orthogonal to the applied shear. The strengths in the weak directions on all planes are found to be very nearly equal (about 18 GPa, or 11% of the shear modulus G). Moreover, the shear instability occurs at approximately the same applied shear strain (17-18%). This unusual isotropy is explained in terms of the atomic configurations of high-energy saddle points reached during shear. Analysis of these saddle points may also offer a simple explanation for the prevalence of the pencil glide of dislocations on planes containing a <111> direction in bcc metals. Finally, we calculate the ideal cleavage strength of W on {l_brace}100{r_brace} and compare our calculated ideal shear and cleavage strengths with experimental nanoindentation and whisker measurements. All these results can be rat her simply understood using a Frenkel-Orowan crystallographic model.
- Research Organization:
- Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
- Sponsoring Organization:
- USDOE Director, Office of Science. Office of Basic Energy Studies. Division of Materials Sciences; National Science Foundation (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 788024
- Report Number(s):
- LBNL--46892
- Journal Information:
- Philosophical Magazine A, Journal Name: Philosophical Magazine A Journal Issue: 07 Vol. 81
- Country of Publication:
- United States
- Language:
- English
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