Publication Details (including relevant citation information):
"Driving Ordering Processes in Molecular Dynamic Simulations", H. Dittmar, P. G. Kusalik, Phys. Rev. Lett. 112, 195701 (2014)
Self-organized criticality describes the emergence of complexity in dynamical non-equilibrium systems. In this paper we introduce a unique approach whereby a driven energy conversion is utilized as a sampling bias for ordered arrangements in molecular dynamics simulations of atomic and molecular fluids. This approach gives rise to dramatically accelerated nucleation rates, by as much as 30 orders of magnitude, without the need of pre-defined order parameters, which commonly employed rare-event sampling methods rely on. The measured heat-fluxes suggest how the approach can be generalized.