Diamond-based coatings are employed in several technological applications, for their
outstanding mechanical properties, biocompatibility, and chemical stability. Of significant …

Controlling friction and wear at silica–diamond interfaces is crucial for their relevant
applications in tribology such as micro-electromechanical systems and atomic force …

In pursuit of sustainable lubricant materials, the in situ formation of graphitic material has
been shown to effectively reduce friction at metallic interfaces. Aromatic molecules are …

We present rotating periodic boundary conditions (PBCs) for the simulation of
nonequilibrium molecular dynamics (NEMD) under uniaxial stretching flow (USF) or biaxial …

We prove that incompressible two-dimensional nonequilibrium Langevin dynamics (NELD)
converges exponentially fast to a steady-state limit cycle. We use automorphism remapping …

First, we propose using rotating periodic boundary conditions (PBCs)[13] to simulate
nonequilibrium molecular dynamics (NEMD) in uniaxial or biaxial stretching flow. These …