Literature DB >> 29306292

Memory-induced acceleration and slowdown of barrier crossing.

Julian Kappler1, Jan O Daldrop1, Florian N Brünig1, Moritz D Boehle1, Roland R Netz1.   

Abstract

We study the mean first-passage time τMFP 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 τΓ, 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 τMFP increases with τΓ as a power law τMFP∼τΓ2. 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 τMFP 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.

Year:  2018        PMID: 29306292     DOI: 10.1063/1.4998239

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  5 in total

1.  Non-Markovian barrier crossing with two-time-scale memory is dominated by the faster memory component.

Authors:  Julian Kappler; Victor B Hinrichsen; Roland R Netz
Journal:  Eur Phys J E Soft Matter       Date:  2019-09-10       Impact factor: 1.890

2.  Artificial Intelligence Resolves Kinetic Pathways of Magnesium Binding to RNA.

Authors:  Jan Neumann; Nadine Schwierz
Journal:  J Chem Theory Comput       Date:  2022-01-27       Impact factor: 6.006

3.  Spectral signatures of excess-proton waiting and transfer-path dynamics in aqueous hydrochloric acid solutions.

Authors:  Florian N Brünig; Manuel Rammler; Ellen M Adams; Martina Havenith; Roland R Netz
Journal:  Nat Commun       Date:  2022-07-21       Impact factor: 17.694

4.  Butane dihedral angle dynamics in water is dominated by internal friction.

Authors:  Jan O Daldrop; Julian Kappler; Florian N Brünig; Roland R Netz
Journal:  Proc Natl Acad Sci U S A       Date:  2018-04-30       Impact factor: 11.205

5.  Non-Markovian modeling of protein folding.

Authors:  Cihan Ayaz; Lucas Tepper; Florian N Brünig; Julian Kappler; Jan O Daldrop; Roland R Netz
Journal:  Proc Natl Acad Sci U S A       Date:  2021-08-03       Impact factor: 11.205

  5 in total

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