3 papers
cond-mat.mtrl-sci2025
Thermal Metamaterials for Enhanced Non-Fourier Heat Transport
Harry Mclean, Francis Huw Davies, Ned Thaddeus Taylor +1
The untapped potential of thermal metamaterials requires the simultaneous observation of both diffusive and wave-like heat propagation across multiple length scales that can only b…
cond-mat.mtrl-sci2025
Instability of oxide perovskite surfaces induced by vacancy formation
Ned Thaddeus Taylor, Michael Thomas Morgan, Steven Paul Hepplestone
This work presents a first principles study of the (001) surface energetics of nine oxide perovskites, with a focus on the role of surface vacancies in determining termination stab…
cond-mat.mtrl-sci2025
RAFFLE: Active learning accelerated interface structure prediction
Ned Thaddeus Taylor, Joe Pitfield, Francis Huw Davies +1
Interfaces between materials play a crucial role in the performance of most devices. However, predicting the structure of a material interface is computationally demanding due to t…