title: Driving ordering processes in molecular-dynamics simulations.
abstract: Self-organized criticality describes the emergence of complexity in dynamical nonequilibrium 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 predefined order parameters, which commonly employed rare-event sampling methods rely on. The measured heat fluxes suggest how the approach can be generalized.
authors.affiliation: Department of Chemistry, University of Calgary, 2500 University drive NW, Calgary, Alberta T2N 1N4, Canada.
authors.forename: Harro
authors.initials: H
authors.lastname: Dittmar
authors.affiliation: Department of Chemistry, University of Calgary, 2500 University drive NW, Calgary, Alberta T2N 1N4, Canada.
authors.forename: Peter G
authors.initials: PG
authors.lastname: Kusalik