86 citations · 345 across the 15 of their papers we have counts for
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cond-mat.mtrl-sci2018★ 18 cited
Electron and phonon interactions and transport in ultra-high-temperature ceramic ZrC
Thomas A. Mellan, Alex Aziz, Yi Xia +2
We have simulated the ultra-high-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our p…
cond-mat.mtrl-sci2018★ 13 cited
Spontaneous Frenkel pair formation in Zirconium Carbide
Thomas A. Mellan, Andrew I. Duff, Michael W. Finnis
With density functional theory we have performed molecular dynamics simulations of ZrC which displayed spontaneous Frenkel pair formation at a temperature of 3200 K, some 500 K bel…
cond-mat.mtrl-sci2018★ 31 cited
The origin of the vanadium dioxide transition entropy
Thomas Ambrose Mellan, Hao Wang, Udo Schwingenschlögl +1
The reversible metal-insulator transition in VO at K has been closely scrutinized yet its thermodynamic origin remains ambiguous. We discuss the origin…