For closed quantum systems driven away from equilibrium, work is often defined in terms of projective measurements of initial and final energies. This definition leads to statistical distributions of work that satisfy nonequilibrium work and fluctuat
ion relations. While this two-point measurement definition of quantum work can be justified heuristically by appeal to the first law of thermodynamics, its relationship to the classical definition of work has not been carefully examined. In this paper we employ semiclassical methods, combined with numerical simulations of a driven quartic oscillator, to study the correspondence between classical and quantal definitions of work in systems with one degree of freedom. We find that a semiclassical work distribution, built from classical trajectories that connect the initial and final energies, provides an excellent approximation to the quantum work distribution when the trajectories are assigned suitable phases and are allowed to interfere. Neglecting the interferences between trajectories reduces the distribution to that of the corresponding classical process. Hence, in the semiclassical limit, the quantum work distribution converges to the classical distribution, decorated by a quantum interference pattern. We also derive the form of the quantum work distribution at the boundary between classically allowed and forbidden regions, where this distribution tunnels into the forbidden region. Our results clarify how the correspondence principle applies in the context of quantum and classical work distributions, and contribute to the understanding of work and nonequilibrium work relations in the quantum regime.
Diffusion studies of adsorbates moving on a surface are often analyzed using 2D Langevin simulations. These simulations are computationally cheap and offer valuable insight into the dynamics, however, they simplify the complex interactions between th
e substrate and adsorbate atoms, neglecting correlations in the motion of the two species. The effect of this simplification on the accuracy of observables extracted using Langevin simulations was previously unquantified. Here we report a numerical study aimed at assessing the validity of this approach. We compared experimentally accessible observables which were calculated using a Langevin simulation with those obtained from explicit molecular dynamics simulations. Our results show that within the range of parameters we explored Langevin simulations provide a good alternative for calculating the diffusion procress, i.e. the effect of correlations is too small to be observed within the numerical accuracy of this study and most likely would not have a significant effect on the interpretation of experimental data. Our comparison of the two numerical approaches also demonstrates the effect temperature dependent friction has on the calculated observables, illustrating the importance of accounting for such a temperature dependence when interpreting experimental data.
The fluctuations of a Markovian jump process with one or more unidirectional transitions, where $R_{ij} >0$ but $R_{ji} =0$, are studied. We find that such systems satisfy an integral fluctuation theorem. The fluctuating quantity satisfying the theor
em is a sum of the entropy produced in the bidirectional transitions and a dynamical contribution which depends on the residence times in the states connected by the unidirectional transitions. The convergence of the integral fluctuation theorem is studied numerically, and found to show the same qualitative features as in systems exhibiting microreversibility.
Stochastic pumps are models of artificial molecular machines which are driven by periodic time variation of parameters, such as site and barrier energies. The no-pumping theorem states that no directed motion is generated by variation of only site or
barrier energies [S. Rahav, J. Horowitz, and C. Jarzynski, Phys. Rev. Lett., 101, 140602 (2008)]. We study stochastic pumps of several interacting particles and demonstrate that the net current of particles satisfy an additional no- pumping theorem.
We introduce an explicit solution for the non-equilibrium steady state (NESS) of a ring that is coupled to a thermal bath, and is driven by an external hot source with log-wide distribution of couplings. Having time scales that stretch over several d
ecades is similar to glassy systems. Consequently there is a wide range of driving intensities where the NESS is like that of a random walker in a biased Brownian landscape. We investigate the resulting statistics of the induced current $I$. For a single ring we discuss how $sign(I)$ fluctuates as the intensity of the driving is increased, while for an ensemble of rings we highlight the fingerprints of Sinai physics on the $abs(I)$ distribution.
The evolution speed in projective Hilbert space is considered for Hermitian Hamiltonians and for non-Hermitian (NH) ones. Based on the Hilbert-Schmidt norm and the spectral norm of a Hamiltonian, resource-related upper bounds on the evolution speed a
re constructed. These bounds are valid also for NH Hamiltonians and they are illustrated for an optical NH Hamiltonian and for a non-Hermitian $mathcal{PT}-$symmetric matrix Hamiltonian. Furthermore, the concept of quantum speed efficiency is introduced as measure of the system resources directly spent on the motion in the projective Hilbert space. A recipe for the construction of time-dependent Hamiltonians which ensure 100% speed efficiency is given. Generally these efficient Hamiltonians are NH but there is a Hermitian efficient Hamiltonian as well. Finally, the extremal case of a non-Hermitian non-diagonalizable Hamiltonian with vanishing energy difference is shown to produce a 100% efficient evolution with minimal resources consumption.
We analyze the operation of a molecular machine driven by the non-adiabatic variation of external parameters. We derive a formula for the integrated flow from one configuration to another, obtain a no-pumping theorem for cyclic processes with thermal
ly activated transitions, and show that in the adiabatic limit the pumped current is given by a geometric expression.
We consider the application of fluctuation relations to the dynamics of coarse-grained systems, as might arise in a hypothetical experiment in which a system is monitored with a low-resolution measuring apparatus. We analyze a stochastic, Markovian j
ump process with a specific structure that lends itself naturally to coarse-graining. A perturbative analysis yields a reduced stochastic jump process that approximates the coarse-grained dynamics of the original system. This leads to a non-trivial fluctuation relation that is approximately satisfied by the coarse-grained dynamics. We illustrate our results by computing the large deviations of a particular stochastic jump process. Our results highlight the possibility that observed deviations from fluctuation relations might be due to the presence of unobserved degrees of freedom.
Quantum corrections to transport through a chaotic ballistic cavity are known to be universal. The universality not only applies to the magnitude of quantum corrections, but also to their dependence on external parameters, such as the Fermi energy or
an applied magnetic field. Here we consider such parameter dependence of quantum transport in a ballistic chaotic cavity in the semiclassical limit obtained by sending Plancks constant to zero without changing the classical dynamics of the open cavity. In this limit quantum corrections are shown to have a universal parametric dependence which is not described by random matrix theory.
