Adiabatic limit collapse and local interaction effects in non-linear active microrheology molecular simulations of two-dimensional fluids.

Nonlinear active microrheology molecular dynamics simulations of high-density two-dimensional fluids show that the presence of strong confining forces and an external pulling force induces a correlation between the velocity and position dynamics of the tracer particle. This correlation manifests in the form of an effective temperature and an effective mobility of the tracer particle, which is responsible for the breaking of the equilibrium fluctuation-dissipation theorem. This fact is shown by measuring the tracer particle's temperature and mobility directly from the first two moments of the velocity distribution of a tracer particle and by formulating a diffusion theory in which effective thermal and transport properties are decoupled from the velocity dynamics.

The generalized continuous multiple step (GCMS) potential: model systems and benchmarks.

The generalized continuous multiple step (GCMS) potential is presented in this work. Its flexible form allows forand/orcontributions to be encoded through adjustable energy and length scales. The GCMS interaction provides a continuous representation of square-well, square-shoulder potentials and their variants for implementation in computer simulations.