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Picosecond amorphization of SiO2 stishovite under tension
Masaaki Misawa1,2, Emina Ryuo2, Kimiko Yoshida3
1Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, and Department of Biological Sciences, University of Southern California, Los Angeles, CA 90089-0242, USA.
Abstract:
It is extremely difficult to realize two conflicting properties-high hardness and toughness-in one material. Nano-polycrystalline stishovite, recently synthesized from Earth-abundant silica glass, proved to be a super-hard, ultra-tough material, which could provide sustainable supply of high-performance ceramics. Our quantum molecular dynamics simulations show that stishovite amorphizes rapidly on the order of picosecond under tension in front of a crack tip. We find a displacive amorphization mechanism that only involves short-distance collective motions of atoms, thereby facilitating the rapid transformation. The two-step amorphization pathway involves an intermediate state akin to experimentally suggested "high-density glass polymorphs" before eventually transforming to normal glass. The rapid amorphization can catch up with, screen, and self-heal a fast-moving crack. This new concept of fast amorphization toughening likely operates in other pressure-synthesized hard solids.
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