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Temperature distributions in the RDX substrate at different indentation depths. (a) At , hardly any heating is observed. (b) At , the temperature of some of the molecules exceeds . At indentation depths of (c) and (d) , we observe “hot” RDX molecules within from the indenter. The inset shows the RDX substrate (blue) and the indenter (gray) schematically.
Magnitude of the center-of-mass displacement of RDX molecules. For clarity, only half of the system is shown. Panels (a) and (b) are snapshots of at indentation depths of 10.45 and , respectively.
Panel (a) shows that the indentation damage is localized in the yellow dashed region. Panel (b) illustrates how the molecules in that region are displaced. Each sphere represents a RDX molecule.
(a) and (b) show RDX molecules ( and ) on the indenter surface at 14.5 and . Red, dark blue, light blue, and white spheres represent oxygen, nitrogen, carbon, and hydrogen atoms, respectively. Panel (c) shows the time dependence of the mean square displacements for a few RDX molecules, including those of molecules and .
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