Nanoindentation of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-trinitrobenzene: A Molecular Dynamics Study
作者： Nithin Mathew , Thomas D. Sewell
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摘要: Nanoindentation of the insensitive energetic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) was studied using constant-temperature and constant-energy dynamics simulations. Displacement-controlled indentations at constant velocity were performed a rigid, spherical indenter on three principal crystallographic planes, (100), (010), (001). The force–displacement curve for (001) (basal) plane exhibits distinct elastic region in agreement with analytical solution indentation an anisotropic half-space by parabola revolution. Stiffening precedes inelastic deformation, elastic–inelastic transition occurs kinking delamination layered basal planes significant pile-up. predicted nanoindentation hardness is 1.02 ± 0.09 GPa. (100) (010) (nonbasal) yields non-Hertzian response; this attributed to effective “softening” due bending layers. Si...
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