Li N, Yadav S K, Liu X-Y, Wang J, Hoagland R G, Mara N, Misra A
Materials Physics and Applications Division, MPA-CINT, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Materials Science and Technology Division, MST-8, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Sci Rep. 2015 Nov 5;5:15813. doi: 10.1038/srep15813.
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 ½ <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.
通过在高分辨率透射电子显微镜中对TiN进行原位压痕，分别从{001}和{111}表面观察到了全位错和部分位错的形核。根据记录的原子位移分析了与位错形核相关的临界弹性应变，并使用密度泛函理论计算了对应于测量临界应变的形核应力。对于部分位错1/6 <110> {111}，分解切应力估计为13.8 GPa，对于全位错½ <110> {110}，分解切应力为6.7 GPa。这种通过原位高分辨率实验结合密度泛函理论计算来量化缺陷形核应力的方法可能适用于其他单元过程。
