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

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

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Abstract

Through 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 1/2 <110> {110}. 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.

Original languageEnglish (US)
Article number15813
JournalScientific reports
Volume5
DOIs
StatePublished - Nov 5 2015
Externally publishedYes

Bibliographical note

Funding Information:
The authors thank insightful discussions with Prof. J.P. Hirth. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000).

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