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(Color) (a) Pileup around the indenter at the maximum indentation depth. The colors represent “temperature” estimated from kinetic energy of atoms. (b) Load versus displacement during loading and unloading phases of indentation.
(Color) (a) Density distribution and (b) pressure inside a-SiO2 at the maximum load. For clarity, the panels show a diagonal cut through the substrate in the x-y plane. Note the densification and pressure build-up around the indenter and the low-density material pileup near the surface.
(Color) (a)-(c) Snapshot showing hopping of an oxygen defect; (a) initial state, (b) transition state, and (c) final state. Atoms involved in the event are labeled as O1, Si2 and O3. The oxygen defect migrates by switching bonds from Si2-O3 to O1-Si2. Atomic configurations showing an annihilation event for a pair of defect atoms in the initial (d), transition (e), and final (f) states. Atoms involved in the event are labeled as Si1, O2, Si3 and O4.
(Color) Snapshots showing (a) migration of an under-coordinated Si defect and (b) annihilation of an under-coordinated Si and a non-bridging O defect. Yellow and red spheres show positions of silicon and oxygen atoms. For clarity, only the participating atoms in these events are shown. Dotted and solid lines indicate covalent bonds before and after each event. Arrows represent defect migration pathways.
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