Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations
Abstract
Using the in situ indentation of TiN in a high-resolution transmission electron microscope, the nucleation of full as well as partial dislocations has been observed from {001} and {111} surfaces, respectively. The critical elastic strains associated with the nucleation of the dislocations were analyzed from the recorded atomic displacements, and the nucleation stresses corresponding to the measured critical strains were computed using density functional theory. The resolved shear stress was estimated to be 13.8 GPa for the partial dislocation 1/6 <110> {111} and 6.7 GPa for the full dislocation ½ <110> {110}. Moreover, such an approach of quantifying nucleation stresses for defects via in situ high-resolution experiment coupled with density functional theory calculation may be applied to other unit processes.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of Nebraska, Lincoln, NE (United States)
- Univ. of Michigan, Ann Arbor, MI (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1236029
- Report Number(s):
- LA-UR-15-27113
Journal ID: ISSN 2045-2322; srep15813
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 5; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Li, N., Yadav, S. K., Liu, X. -Y., Wang, J., Hoagland, R. G., Mara, N., and Misra, A. Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations. United States: N. p., 2015.
Web. doi:10.1038/srep15813.
Li, N., Yadav, S. K., Liu, X. -Y., Wang, J., Hoagland, R. G., Mara, N., & Misra, A. Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations. United States. https://doi.org/10.1038/srep15813
Li, N., Yadav, S. K., Liu, X. -Y., Wang, J., Hoagland, R. G., Mara, N., and Misra, A. Thu .
"Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations". United States. https://doi.org/10.1038/srep15813. https://www.osti.gov/servlets/purl/1236029.
@article{osti_1236029,
title = {Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations},
author = {Li, N. and Yadav, S. K. and Liu, X. -Y. and Wang, J. and Hoagland, R. G. and Mara, N. and Misra, A.},
abstractNote = {Using the in situ indentation of TiN in a high-resolution transmission electron microscope, the nucleation of full as well as partial dislocations has been observed from {001} and {111} surfaces, respectively. The critical elastic strains associated with the nucleation of the dislocations were analyzed from the recorded atomic displacements, and the nucleation stresses corresponding to the measured critical strains were computed using density functional theory. The resolved shear stress was estimated to be 13.8 GPa for the partial dislocation 1/6 <110> {111} and 6.7 GPa for the full dislocation ½ <110> {110}. Moreover, such an approach of quantifying nucleation stresses for defects via in situ high-resolution experiment coupled with density functional theory calculation may be applied to other unit processes.},
doi = {10.1038/srep15813},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Thu Nov 05 00:00:00 EST 2015},
month = {Thu Nov 05 00:00:00 EST 2015}
}
Web of Science
Figures / Tables:
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