Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations

Li, N.; Yadav, S. K.; Liu, X. -Y.; Wang, J.; Hoagland, R. G.; Mara, N.; Misra, A.

doi:10.1038/srep15813

Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations

Journal Article · Wed Nov 04 23:00:00 EST 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep15813· OSTI ID:1236029

Li, N. ^[1]; Yadav, S. K. ^[1]; Liu, X. -Y. ^[1]; Wang, J. ^[2]; Hoagland, R. G. ^[1]; Mara, N. ^[1]; Misra, A. ^[3]

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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1236029

Report Number(s):: LA-UR--15-27113; srep15813

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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