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Recently, Chuanying Li, Tao Fu, Xule Li, Hao Hu, and Xianghe Peng in [Phys.Rev. B 107, 224106] investigated the mechanical behavior of cubic HfC and TaCunder simple shear (SS) and pure shear (PS) using first-principlescalculations. Unfortunately, the paper contains some serious and fundamentalflaws in the field of continuum mechanics and nanomechanics. The resultspresented appear to be qualitatively and quantitatively incorrect, they wouldbe correct if we were in the small/linear deformation/strain regime, which weare not. A correct description therefore requires a finite/nonlineardeformation/strain apparatus.

Comment on "Effects of shear methods on shear strengths and deformation modes of two typical transition metal carbides and their unification"