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D. G. Pettifor

University of Oxford

128

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BOPfox program for tight-binding and analytic bond-order potential calculations

2019 Computer Physics Communications
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Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems

2015 Physical Review B
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Bond-order potentials: derivation and parameterization for refractory elements

2015 Modelling and Simulation in Materials Science and Engineering
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Convergence of an analytic bond-order potential for collinear magnetism in Fe

2014 Modelling and Simulation in Materials Science and Engineering
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Analytic bond-order potential expansion of recursion-based methods

2013 Physical Review B
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Size versus electronic factors in transition metal carbide and TCP phase stability

2013 Philosophical Magazine
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Structural Stability of Topologically Close‐Packed Phases: Understanding Experimental Trends in Terms of the Electronic Structure

2012 Superalloys
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TCP phase predictions in Ni-based superalloys: Structure maps revisited

2011 Acta Materialia
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Theory of structural trends within 4d and 5d transition metal topologically close-packed phases

2011 Physical Review B
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Valence-dependent analytic bond-order potential for magnetic transition metals

2011 Physical Review B
- Ralf Drautz
- D. G. Pettifor
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