RESUMO
We investigate the nature of the effective dynamics and statistical forces obtained after integrating out nonequilibrium degrees of freedom. To be explicit, we consider the Rouse model for the conformational dynamics of an ideal polymer chain subject to steady driving. We compute the effective dynamics for one of the many monomers by integrating out the rest of the chain. The result is a generalized Langevin dynamics for which we give the memory and noise kernels and the effective force, and we discuss the inherited nonequilibrium aspects.
Assuntos
Modelos Químicos , Modelos Estatísticos , Polímeros/química , Simulação por Computador , Estresse MecânicoRESUMO
The control of chemical dynamics requires understanding the effect of time-dependent transition rates between states of chemomechanical molecular configurations. Pumping refers to generating a net current, e.g., per period in the time dependence, through a cycle of consecutive states. The work of artificial machines or synthesized molecular motors depends on it. In this paper we give short and simple proofs of no-go theorems, some of which appeared before but here with essential extensions to non-Markovian dynamics, including the study of the diffusion limit. It allows to exclude certain protocols in the working of chemical motors where only the depth of the energy well is changed in time and not the barrier height between pairs of states. We also show how pre-existing steady state currents are, in general, modified with a multiplicative factor when this time dependence is turned on.