Memory-induced acceleration and slowdown of barrier crossing

作者：Kappler Julian^*; Daldrop Jan O; Bruenig Florian N; Boehle Moritz D; Netz Roland R

来源：Journal of Chemical Physics, 2018, 148(1): 014903.

DOI：10.1063/1.4998239

We study the mean first-passage time iota(MFP) for the barrier crossing of a single massive particle with non-Markovian memory by Langevin simulations in one dimension. In the Markovian limit of short memory time iota(Gamma), the expected Kramers turnover between the overdamped (high-friction) and the inertial (low-friction) limits is recovered. Compared to the Markovian case, we find barrier crossing to be accelerated for intermediate memory time, while for long memory time, barrier crossing is slowed down and iota(MFP) increases with iota(Gamma) as a power law iota(MFP) similar to iota(2)(Gamma). Both effects are derived from an asymptotic propagator analysis: while barrier crossing acceleration at intermediate memory can be understood as an effective particle mass reduction, slowing down for long memory is caused by the slow kinetics of energy diffusion. A simple and globally accurate heuristic formula for iota(MFP) in terms of all relevant time scales of the system is presented and used to establish a scaling diagram featuring the Markovian overdamped and the Markovian inertial regimes, as well as the non-Markovian intermediate memory time regime where barrier crossing is accelerated and the non-Markovian long memory time regime where barrier crossing is slowed down. Published by AIP Publishing.

• 出版日期2018-1-7