Kinetic Friction of Structurally Superlubric 2D Material Interfaces

Abstract

The ultra-low kinetic friction F_k of 2D structurally superlubric interfaces, connected with the fast motion of the incommensurate moir\'e pattern, is often invoked for its linear increase with velocity v_0 and area A, but never seriously addressed and calculated so far. Here we do that, exemplifying with a twisted graphene layer sliding on top of bulk graphite -- a demonstration case that could easily be generalized to other systems. Neglecting quantum effects and assuming a classical Langevin dynamics, we derive friction expressions valid in two temperature regimes. At low temperatures the nonzero sliding friction velocity derivative dF_k/dv_0 is shown by Adelman-Doll-Kantorovich type approximations to be equivalent to that of a bilayer whose substrate is affected by an analytically derived effective damping parameter, replacing the semi-infinite substrate. At high temperatures, friction grows proportional to temperature as analytically required by fluctuation-dissipation. The theory is validated by non-equilibrium molecular dynamics simulations with different contact areas, velocities, twist angles and temperatures. Using 6^{\circ}-twisted graphene on Bernal graphite as a prototype we find a shear stress of measurable magnitude, from 25 kPa at low temperature to 260 kPa at room temperature, yet only at high sliding velocities such as 100 m/s. However, it will linearly drop many orders of magnitude below measurable values at common experimental velocities such as 1 {\mu}m/s, a factor 10^{-8} lower. The low but not ultra-low "engineering superlubric" friction measured in existing experiments should therefore be attributed to defects and/or edges, whose contribution surpasses by far the negligible moir\'e contribution.