S. E. Redfern
University of Bath
4 Papers
72 Citations
S. E. Redfern is an academic researcher from University of Bath. The author has contributed to research in topics: Dislocation & Mineral. The author has an hindex of 3, co-authored 4 publications.
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Papers
Atomistic simulation of oxide surfaces and their reactivity with water
TL;DR: In this article, the authors applied this approach to model oxide surfaces in contact with water and found that the bonding of the surface to the water molecules is dominated by the cation-water interactions but is moderated by the area occupied by each water molecule, which is approximately 10 A2.
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Atomistic simulation of oxide dislocations and interfaces
Stephen C. Parker,N. H. de Leeuw,D. J. Harris,F. M. Higgins,Pe M. Oliver,S. E. Redfern,Graeme W. Watson +6 more
TL;DR: In this paper, the authors used atomistic simulation techniques to study screw dislocations, grain boundaries, thin films and surfaces of thin iron oxide films on MgO and found that the most stable interface is an open structure with closely matching spacing between substrate Mg ions and oxygens of the film.
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Atomistic simulation of the structure and segregation to the (0001) and Open image in new window surfaces of Fe2O3
TL;DR: In this article, the authors used the Born model of solids to model the forces between the atoms and found that segregation is energetically favored in virtually every case, and that the most favorable impurity surface concentration is 33.33%.