“…Previous studies [27,28,29,30,31] have provided values for ϵ,σ, and rc but, as explained in Supplementary Materials, Figure S1, we found that none of these sets of values were able to reproduce the contact angle of pure Ni and Ag liquid droplets deposited on graphite. Here, we find that using the values in Table 2 for ϵ,σ, and rc, respectively, we obtain a contact angle of 59∘ for Ni on graphite, and 145∘ for Ag on graphite; these theoretical contact angles are very close to the values found experimentally (Ag-C = 135∘ and Ni-C = 60∘) [32,33,34,35,36,37]. All the simulations were done with the software LAMMPS [38].…”