4 papers
Strain-Dependent Wetting of Graphene
Darren Wayne Lim, Xavier R. Advincula, William C. Witt +3
Understanding how water wets graphene is critical for predicting and controlling its behaviour in nanofluidic, sensing, and energy applications. A key measure of wetting is the con…
Defects induce phase transition from dynamic to static rippling in graphene
Fabian L. Thiemann, Camille Scalliet, Erich A. Müller +1
Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are the elementary building blocks t…
Introduction to machine learning potentials for atomistic simulations
Fabian L. Thiemann, Niamh O'Neill, Venkat Kapil +2
Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This pape…
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
Flaviano Della Pia, Andrea Zen, Venkat Kapil +3
Water confined in nanoscale cavities plays a crucial role in everyday phenomena in geology and biology, as well as technological applications at the water-energy nexus. However, ev…