Abstract
At 300 K ultrafine grain-size nanoanatase retains its structural integrity up to 18 GPa. There is progressive pressure-induced structural disorder to a highly disordered state at . Signatures of short-range order persist to well beyond 18 GPa in both the synchrotron–x-ray diffraction and Raman data. Molecular dynamics simulations suggest disorder initiated in the surface shell of a nanograin with crystallinity being retained in the core. A bulk modulus for the nanoanatase ( higher than the bulk value) is derived from the data, concordant with the MD calculations.
- Received 9 August 2005
DOI:https://doi.org/10.1103/PhysRevLett.96.035509
©2006 American Physical Society