Calculation of point defects in rutile TiO 2 by the screened-exchange hybrid functional

The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO 2 were calculated by the screened-exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The oxygen vacancy gives rise to a gap state lying 0.7 eV below the conduction band edge, whose charge density is localized around the two of three Ti atoms next to the vacancy. The Ti interstitial (Ti int) generates four defect states in the gap, whose unpaired electrons lie on the interstitial and the adjacent Ti 3d orbitals. The formation energy for the neutral oxygen vacancy is 1.9 eV for the O-poor chemical potential. The neutral Ti interstitial has a lower formation energy than the O vacancy under O-poor conditions. This indicates that both the O vacancy and Ti int are relevant for oxygen deficiency in rutile TiO 2 but the O vacancy will dominate under O-rich conditions. This resolves questions about defect localization and defect predominance in the literature. © 2012 American Physical Society.

Cyclic jacking of piles in silt and sand

Jacked piles are becoming a valuable installation method due to the low noise and vibration involved in the installation procedure. Cyclic jacking may be used in an attempt to decrease the required installation force. Small scale models of jacked piles were tested in sand and silt in a 10 m beam centrifuge. Two different piles were tested: smooth and rough. Piles were driven in two ways with monotonic and cyclically jacked installations. The cyclically jacked installation involves displacement reversal at certain depth for a fixed number of cycles. The depth of reversal and amplitude of the cycle vary for different tests. Data show that the base resistance increases during cyclic jacking due to soil compaction at the pile toe. On the other hand, shaft load decreases with the number of cycles applied due to densification of soil next to the pile shaft. Cyclic jacking may be used in unplugged tubular piles to decrease the required installation load. © 2013 Taylor & Francis Group, London.