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 Van Derck Fréchette
Professor of Ceramic Science
Educational Background:
M.A. University of Cambridge
M.Sc., Ph.D., University of Wales, Aberystwyth
Email:
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Phone: (607) 871-2304
Location: McMahon Building, Room 132
Website: http://cact.alfred.edu
Research Overview
We use atomistic computer simulations to tackle problems in inorganic solid state chemistry. Two major themes are (i) the structure and reactivity of silicate glasses and
(ii) non-stoichiometry and defect structure in crystalline materials. In both themes, the interplay between nano scale structure and chemistry is explored, using both classical and quantum mechanical techniques,
as appropriate.
Current and Recent Projects
- Reactivity of water in silicate glasses
- Simulation of bioactive glasses
- Modelling the mechanical properties of silicate glasses and glass fibers
- Nano-scale domains and defect structures in Sc-doped zirconia and Gd-doped ceria
- Simulation of ceria nanoparticles
Select Publications
“Atomistic Simulation of B-type - Fluorite Structural Relationship and B-type Large Defect Clusters in Gadolinia Doped Ceria”, B. Wang, R. J. Lewis and A. N. Cormack, Solid State Ionics, 182 8-12 (2011)
“Surface Signatures of bioactivity: MD simulations of 45S and 65S Silicate Glasses”, A. Tilocca, and A. N. Cormack, Langmuir, 26, 545–551 (2010)
“Modelling the water-bioglass interface by ab-initio molecular dynamics” Tilocca, A., and Cormack, A. N., ACS Appl. Mater. Interfaces, 1, 1324, (2009).
“Exploring the Surface of Bioactive Glasses: Water Adsorption and Reactivity”, A. Tilocca and A. N. Cormack, J. Phys. Chem. C, 112 (31), 11936-11945, (2008)
“Molecular dynamics studies of stress-strain behavior of silica glass under a tensile load”, A. Pedone, G. Malavasi, M. C. Menziani, U. Segre and A. N. Cormack, Chemistry of Materials 20 [13] 4356-4366 (2008)
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