Fig. 2: Deformation modes simulated with Tersoff potential in nt-diamond with an average grain size of 16.23 nm and an average twin thickness of 5.562 nm. | npj Computational Materials

Fig. 2: Deformation modes simulated with Tersoff potential in nt-diamond with an average grain size of 16.23 nm and an average twin thickness of 5.562 nm.

From: Continuous strengthening in nanotwinned diamond

Fig. 2

a A cross-section snapshot of the nt-diamond sample under a true compressive strain of 15.75%. Atoms are colored by their relative displacements with respect to the undeformed states. Blue-colored atoms are located near the twin boundaries, cyan-colored regions indicate grain boundaries, blue and red lines indicate shuffle-set dislocations, green lines \(\frac{{\mathrm{1}}}{{\mathrm{6}}} < 112 >\) glide-set Shockley partial dislocations. For simplicity, atoms are made resolved for the central grains, while only defects are shown for other grains. b The original undeformed nt-diamond sample. c Enlarged image for the yellow rectangle in a, emphasizing the detail of a nanotwin with a shuffle-set dislocation cutting across.

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