Eigenstate thermalization within isolated spin-chain systems

The thermalization phenomenon and many-body quantum statistical properties are studied on the example of several observables in isolated spin-chain systems, both integrable and generic non-integrable ones. While diagonal matrix elements for non-integrable models comply with the eigenstate thermalization hypothesis (ETH), the integrable systems show evident deviations and similarity to properties of noninteracting many-fermion models. The finite-size scaling reveals that the crossover between two regimes is given by a scale closely related to the scattering length. Low-frequency off-diagonal matrix elements related to d.c. transport quantities in a generic system also follow the behavior analogous to the ETH, however unrelated to the one of diagonal elements

Real-time broadening of non-equilibrium density profiles and the role of the specific initial-state realization

The real-time broadening of density profiles starting from non-equilibrium states is at the center of transport in condensed-matter systems and dynamics in ultracold atomic gases. Initial profiles close to equilibrium are expected to evolve according to linear response, e.g., as given by the current correlator evaluated exactly at equilibrium. Significantly off equilibrium, linear response is expected to break down and even a description in terms of canonical ensembles is questionable. We unveil that single pure states with density profiles of maximum amplitude yield a broadening in perfect agreement with linear response, if the structure of these states involves randomness in terms of decoherent off-diagonal density-matrix elements. While these states allow for spin diffusion in the XXZ spin-1/2 chain at large exchange anisotropies, coherences yield entirely different behavior.Comment: 7 pages, 7 figures, accepted for publication in Phys. Rev.

Spin hydrodynamics in the S = 1/2 anisotropic Heisenberg chain

We study the finite-temperature dynamical spin susceptibility of the one-dimensional (generalized) anisotropic Heisenberg model within the hydrodynamic regime of small wave vectors and frequencies. Numerical results are analyzed using the memory function formalism with the central quantity being the spin-current decay rate gamma(q,omega). It is shown that in a generic nonintegrable model the decay rate is finite in the hydrodynamic limit, consistent with normal spin diffusion modes. On the other hand, in the gapless integrable model within the XY regime of anisotropy Delta < 1 the behavior is anomalous with vanishing gamma(q,omega=0) proportional to |q|, in agreement with dissipationless uniform transport. Furthermore, in the integrable system the finite-temperature q = 0 dynamical conductivity sigma(q=0,omega) reveals besides the dissipationless component a regular part with vanishing sigma_{reg}(q=0,omega to 0) to 0

Production of n-propyl acetate by reactive distillation : experimental and theoretical study

First steps of the development of a catalytic reactive distillation process for the production of n-propyl acetate based on experiments and simulations are proposed. The kinetics for homogeneously (sulphuric acid) and heterogeneously (Amberlyst 15) catalysed reaction were investigated and the constants for a pseudo-homogeneous model are presented. Pilot plant experiments were performed using a homogeneous strong acid catalyst in a packed column. A top-column decanter is used to withdraw the aqueous phase and to reflux the organic phase. Simulation results are in good agreement with experimental data. Thermodynamics nonidealities are taken into account using VLE and LLE NRTL interaction parameters. Alcohol conversion and n-propyl acetate purity may be dramatically increased just by adding to the pilot plant a stripping section in an additional column: six different configurations are identified to achieve such a production. The startup is studied in order to determine the best strategy to achieve steady-state conditions. The strong influence of the composition of the initial charging in the decanter can be seen and an initial charging of the two-phase top product leads to the fastest startup

Coherent spin-current oscillations in transverse magnetic fields

We address the coherence of the dynamics of spin-currents with components transverse to an external magnetic field for the spin-1/2 Heisenberg chain. We study current autocorrelations at finite temperatures and the real-time dynamics of currents at zero temperature. Besides a coherent Larmor oscillation, we find an additional collective oscillation at higher frequencies, emerging as a coherent many-magnon effect at low temperatures. Using numerical and analytical methods, we analyze the oscillation frequency and decay time of this coherent current-mode versus temperature and magnetic field.Comment: 4 pages, 5 figures (and supplemental material: 4 pages, 6 figures

Spin transport in the XXZ model at high temperatures: Classical dynamics versus quantum S=1/2 autocorrelations

The transport of magnetization is analyzed for the classical Heisenberg chain at and especially above the isotropic point. To this end, the Hamiltonian equations of motion are solved numerically for initial states realizing harmonic-like magnetization profiles of small amplitude and with random phases. Above the isotropic point, the resulting dynamics is observed to be diffusive in a hydrodynamic regime starting at comparatively small times and wave lengths. In particular, hydrodynamic regime and diffusion constant are both found to be in quantitative agreement with close-to-equilibrium results from quantum S=1/2 autocorrelations at high temperatures. At the isotropic point, the resulting dynamics turns out to be non-diffusive at the considered times and wave lengths.Comment: 6 pages, 5 figures, accepted for publication in Europhys. Let

Transition from diffusive to ballistic dynamics for a class of finite quantum models

The transport of excitation probabilities amongst weakly coupled subunits is investigated for a class of finite quantum systems. It is demonstrated that the dynamical behavior of the transported quantity depends on the considered length scale, e. g., the introduced distinction between diffusive and ballistic transport appears to be a scale-dependent concept, especially since a transition from diffusive to ballistic behavior is found in the limit of small as well as in the limit of large length scales. All these results are derived by an application of the time-convolutionless projection operator technique and are verified by the numerical solution of the full time-dependent Schroedinger equation which is obtained by exact diagonalization for a range of model parameters.Comment: 4 pages, 5 figures, approved for publication in Physical Review Letter

Finite size effects on transport coefficients for models of atomic wires coupled to phonons

We consider models of quasi-1-d, planar atomic wires consisting of several, laterally coupled rows of atoms, with mutually non-interacting electrons. This electronic wire system is coupled to phonons, corresponding, e.g., to some substrate. We aim at computing diffusion coefficients in dependence on the wire widths and the lateral coupling. To this end we firstly construct a numerically manageable linear collision term for the dynamics of the electronic occupation numbers by following a certain projection operator approach. By means of this collision term we set up a linear Boltzmann equation. A formula for extracting diffusion coefficients from such Boltzmann equations is given. We find in the regime of a few atomic rows and intermediate lateral coupling a significant and non-trivial dependence of the diffusion coefficient on both, the width and the lateral coupling. These results, in principle, suggest the possible applicability of such atomic wires as electronic devices, such as, e.g., switches.Comment: 9 pages, 5 figures, accepted for publication in Eur. Phys. J.

Dephasing-induced diffusive transport in anisotropic Heisenberg model

We study transport properties of anisotropic Heisenberg model in a disordered magnetic field experiencing dephasing due to external degrees of freedom. In the absence of dephasing the model can display, depending on parameter values, the whole range of possible transport regimes: ideal ballistic conduction, diffusive, or ideal insulating behavior. We show that the presence of dephasing induces normal diffusive transport in a wide range of parameters. We also analyze the dependence of spin conductivity on the dephasing strength. In addition, by analyzing the decay of spin-spin correlation function we discover a presence of long-range order for finite chain sizes. All our results for a one-dimensional spin chain at infinite temperature can be equivalently rephrased for strongly-interacting disordered spinless fermions.Comment: 15 pages, 9 PS figure

From thermal rectifiers to thermoelectric devices

We discuss thermal rectification and thermoelectric energy conversion from the perspective of nonequilibrium statistical mechanics and dynamical systems theory. After preliminary considerations on the dynamical foundations of the phenomenological Fourier law in classical and quantum mechanics, we illustrate ways to control the phononic heat flow and design thermal diodes. Finally, we consider the coupled transport of heat and charge and discuss several general mechanisms for optimizing the figure of merit of thermoelectric efficiency.Comment: 42 pages, 22 figures, review paper, to appear in the Springer Lecture Notes in Physics volume "Thermal transport in low dimensions: from statistical physics to nanoscale heat transfer" (S. Lepri ed.