Dr. Andrew Ian Duff

Scientific Computing Department, Daresbury Laboratory, STFC
London, United Kingdom

andrew.duff@stfc.ac.uk
OpenKIM Username: AndyDuff
OpenKIM User ID: 06ffed99-0baf-4919-ae7d-6b86d3eb1d7c

Description of Work —
Potentials to model thermal vibrations in refractory alloys, as well as more general purpose potentials using my meam fitting code meamfit

Materials
Zirconium carbide, hafnium carbide, zirconium diboride, hafnium diboride

Bibliography
https://www.sciencedirect.com/science/article/pii/S0010465515001964

https://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.214311

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