Experimental constraints on fluid-rock reactions during incipient serpentinization of harzburgite
Klein, Frieder
2014-10-20
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This program presents the OPAC enhancements especially two pioneer features developed by the WSU Libraries, dynamic map direction for each item on OPAC, and a link to Amazon.com added to provide users with access to each book’s location, book reviews, cover image and publishing information. It discusses the redesign process including: the OPAC Committee's investigation of new voyager features, examination of the current OPAC based on usability guidelines, comparison of different OPAC systems from various university libraries, listening to opinions given by reference librarians and library staff, and library-wide user surveys and user tests. It will also show how a blog is used to coordinate committee and library-wide activities and opinions.
Density functional modeling is used to show that germanium oxidation occurs by the diffusion of network oxygens across the film as peroxyl bridges, not by molecular O₂ interstitials (O₂*). The smaller O bond angle of GeO₂ leads to lower order rings in the amorphous GeO₂ network than in SiO₂. This leads to narrower interstitial diffusion channels, and less dilation of the interstitial volume around the transition state. This raises the migration barrier of O₂∗ in GeO₂, so that the overall diffusion energy of O₂∗ in GeO₂ is now higher than that of a network O interstitial. The low formation energy of the O vacancy in GeO₂ leads to GeO₂ being O-poor very near the Ge/GeO₂ interface, but the lower overall diffusion energy of the O network interstitial than the vacancy leads to the network interstitial dominating diffusion.
We acknowledge funding from EPSRC, Grant No. EP/M009297.
The formation energies of oxygen vacancies at different surface and subsurface sites of anatase (101), anatase (001) and rutile (110) surfaces are calculated by screened-exchange (sX) hybrid functional method. Our results show that the oxygen vacancy is more stable on the surface than subsurface for rutile (110), while it is more stable subsurface than on the surface for anatase surfaces. These results are similar to those found by simple density functional theory, but now the sX hybrid functional gives the correct defect localizations. The defects introduce a gap state near the conduction band edge. For the most stable oxygen vacancy site at each TiO_2 surface, the +2 charge state dominates over a wide range of Fermi energies.
The presentation discusses how the dynamic mapping project evolved and the pros and cons of using holdings records versus bibliographic records to generate the maps. The presentation addresses how to transfer data from WebVoyage display and query, and how to process the data from Oracle tables. The codes will be opened and analyzed for the audience with map links which reflect this enhanced WebVoyage functionality. Future possible enhancements to this enhancement will also be discussed.
This is the author accepted manuscript. The final version is available from ACS at http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b02430.
This is the author accepted manuscript. The final version is available from the American Institute of Physics via http://dx.doi.org/10.1063/1.4951004
