Simulation analysis was carried out using a combination of LAMMPS functionality, Python code (), and VMD scripts (). Our analysis in Python incorporated various libraries, including MDanalysis, SciPy, NumPy, Matplotlib, seaborn, Numba, pandas, and Jupyter. Simulation snapshots were rendered from VMD using the Tachyon ray tracer. In the analysis of the non-equilibrium steady state simulations, we discarded the first 1 ns of the AuNP system trajectories and the first 3 ns of the planar slab system. In the poor wetting case, we adjusted the time to 2 ns for the 5 and 10 nm AuNP systems. We visually inspected the time course of the gold temperature (Figure and Figure , Supporting Information) to confirm that the systems were no longer in the transient phase and had reached a steady-state by those times. Descriptions of individual analyses are provided in subsequent sections.