Rolling and Sliding modes of Droplet Spreading: Molecular Simulations and a Continuum Approach

These dataset contains representative files to be able to reproduce the molecular dynamics (MD) and continuum model (CM) simulations we published in the manuscript entitled: 'Rolling and Sliding Modes of Nanodroplet Spreading: Molecular Simulations and a Continuum Approach' by Perumanath, Chubynsky, Pillai, Borg, and Sprittles published in Physical Review Letters (2023). In this dataset, the molecular simulations (using the LAMMPS software) discover a new mode of dynamic wetting that manifests itself in the very earliest stages of spreading, after a droplet contacts a solid. The observed mode is a `rolling' type motion, characterized by a contact angle lower than the classically-assumed value of 180 degrees, and precedes the conventional `sliding' mode of spreading. This motivated the development of a novel continuum framework within the COMSOL software that captures all modes of motion, allows the dominant physical mechanisms to be understood and permits the study of larger droplets.