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cond-mat.mtrl-sci2022
Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick
Fabian L Thiemann, Christoph Schran, Patrick Rowe +2
Experimental measurements have reported ultra-fast and radius-dependent water transport in carbon nanotubes which are absent in boron nitride nanotubes. Despite considerable effort…
cond-mat.mtrl-sci2020
Machine Learning Potential for Hexagonal Boron Nitride Applied to Thermally and Mechanically Induced Rippling
Fabian L. Thiemann, Patrick Rowe, Erich A. Müller +1
We introduce an interatomic potential for hexagonal boron nitride (hBN) based on the Gaussian approximation potential (GAP) machine learning methodology. The potential is based on…