Condensed Matter

In the context of stochastic thermodynamics, a minimal model for non equilibrium steady states has been recently proposed: the Brownian Gyrator (BG). It describes the stochastic overdamped motion of a particle in a two dimensional harmonic potential, as in the classic Ornstein-Uhlenbeck process, but considering the simultaneous presence of two independent thermal baths. When the two baths have different temperatures, the steady BG exhibits a rotating current, a clear signature of non equilibrium dynamics. Here, we consider a time-dependent potential, and we apply a reverse-engineering approach to derive exactly the required protocol to switch from an initial steady state to a final steady state in a finite time τ . The protocol can be built by first choosing an arbitrary quasi-static counterpart - with few constraints - and then adding a finite-time contribution which only depends upon the chosen quasi-static form and which is of order 1/τ . We also get a condition for transformations which - in finite time - conserve internal energy, useful for applications such as the design of microscopic thermal engines. Our study extends finite-time stochastic thermodynamics to transformations connecting non-equilibrium steady states.

Ice Ih, the common form of ice in the biosphere, contains proton disorder. Its proton-ordered counterpart, ice XI, is thermodynamically stable below 72 K. However, even below this temperature the formation of ice XI is kinetically hindered and experimentally it is obtained by doping ice with KOH. Doping creates ionic defects that promote the migration of protons and the associated change in proton configuration. In this article, we mimic the effect of doping in molecular dynamics simulations using a bias potential that enhances the formation of ionic defects. The recombination of the ions thus formed proceeds through fast migration of the hydroxide and results in the jump of protons along a hydrogen bond loop. This provides a physical and expedite way to change the proton configuration, and to accelerate diffusion in proton configuration space. A key ingredient of this approach is a machine learning potential trained with density functional theory data and capable of modeling molecular dissociation. We exemplify the usefulness of this idea by studying the order-disorder transition using an appropriate order parameter to distinguish the proton environments in ice Ih and XI. We calculate the changes in free energy, enthalpy, and entropy associated with the transition. Our estimated entropy agrees with experiment within the error bars of our calculation.

In a recent Letter [Phys. Rev. Lett. {\bf{125}}, 180604 (2020)], we introduced a closed-form analytic expression for the average bipartite von Neumann entanglement entropy of many-body eigenstates of random quadratic Hamiltonians. Namely, of Hamiltonians whose single-particle eigenstates have random coefficients in the position basis. A paradigmatic Hamiltonian for which the expression is valid is the quadratic Sachdev-Ye-Kitaev (SYK2) model in its Dirac fermion formulation. Here we show that the applicability of our result is much broader. Most prominently, it is also relevant for local Hamiltonians such as the three-dimensional (3D) Anderson model at weak disorder. Moreover, it describes the average entanglement entropy in Hamiltonians without particle-number conservation, such as the SYK2 model in the Majorana fermion formulation and the 3D Anderson model with additional terms that break particle-number conservation. We extend our analysis to the average bipartite second R{é}nyi entanglement entropy of eigenstates of the same quadratic Hamiltonians, which is derived analytically and tested numerically. We conjecture that our results for the entanglement entropies of many-body eigenstates apply to quadratic Hamiltonians whose single-particle eigenstates exhibit quantum chaos, to which we refer as quantum-chaotic quadratic Hamiltonians.

Eigenstates of local many-body interacting systems that are far from spectral edges are thought to be ergodic and close to being random states. This is consistent with the eigenstate thermalization hypothesis and volume-law scaling of entanglement. We point out that systematic departures from complete randomness are generically present in mid-spectrum eigenstates, and focus on the departure of the entanglement entropy from the random-state prediction. We show that the departure is (partly) due to spatial correlations and due to orthogonality to the eigenstates at the spectral edge, which imposes structure on the mid-spectrum eigenstates.

These are lecture notes for a short course given at the Les Houches Summer School on ``Integrability in Atomic and Condensed Matter Physics'', in summer 2018. Here, I pedagogically discuss recent advances in the study of the entanglement spreading during the non-equilibrium dynamics of isolated integrable quantum systems. I first introduce the idea that the stationary thermodynamic entropy is the entanglement accumulated during the non-equilibrium dynamics and then join such an idea with the quasiparticle picture for the entanglement spreading to provide quantitive predictions for the time evolution of the entanglement entropy in arbitrary integrable models, regardless of the interaction strength.

We introduce a diagnostic for quantum thermalization based on mixed-state entanglement. Specifically, given a pure state on a tripartite system ABC , we study the scaling of entanglement negativity between A and B . For representative states of self-thermalizing systems, either eigenstates or states obtained by a long-time evolution of product states, negativity shows a sharp transition from an area-law scaling to a volume-law scaling when the subsystem volume fraction is tuned across a finite critical value. In contrast, for a system with quasiparticles, it exhibits a volume-law scaling irrespective of the subsystem fraction. For many-body localized systems, the same quantity shows an area-law scaling for eigenstates, and volume-law scaling for long-time evolved product states, irrespective of the subsystem fraction. We provide a combination of numerical observations and analytical arguments in support of our conjecture. Along the way, we prove and utilize a `continuity bound' for negativity: we bound the difference in negativity for two density matrices in terms of the Hilbert-Schmidt norm of their difference.

The expressions for entropy production, free energy, and entropy extraction rates are derived for a Brownian particle that walks in an underdamped medium. Our analysis indicates that as long as the system is driven out of equilibrium, it constantly produces entropy at the same time it extracts entropy out of the system. At steady state, the rate of entropy production e ? p balances the rate of entropy extraction h ? d . At equilibrium both entropy production and extraction rates become zero. The entropy production and entropy extraction rates are also sensitive to time. As time progresses, both entropy production and extraction rates increase in time and saturate to constant values. Moreover employing microscopic stochastic approach, several thermodynamic relations for different model systems are explored analytically and via numerical simulations by considering a Brownian particle that moves in overdamped medium. Our analysis indicates that the results obtained for underdamped cases quantitatively agree with overdamped cases at steady state. The fluctuation theorem is also discussed in detailed.

Jarzynski Equality (JE) and the thermodynamic integration method are conventional methods to calculate free energy difference (FED) between two equilibrium states with constant temperature of a system. However, a number of ensemble samples should be generated to reach high accuracy for a system with large size, which consumes a lot computational resource. Previous work had tried to replace the non-equilibrium quantities with equilibrium quantities in JE by introducing a virtual integrable system and it had promoted the efficiency in calculating FED between different equilibrium states with constant temperature. To overcome the downside that the FED for two equilibrium states with different temperature can't be calculated efficiently in previous work, this article derives out the Equilibrium Equality for FED between any two different equilibrium states by deriving out the equality for FED between states with different temperatures and then combining the equality for FED between states with different volumes. The equality presented in this article expresses FED between any two equilibrium states as an ensemble average in one equilibrium state, which enable the FED between any two equilibrium states can be determined by generating only one canonical ensemble and thus the samples needed are dramatically less and the efficiency is promoted a lot. Plus, the effectiveness and efficiency of the equality are examined in Toda-Lattice model with different dimensions.

This work presents a unified dissipaton-equation-of-motion (DEOM) theory and its evaluations on the Helmholtz free energy change due to the isotherm mixing of two isolated subsystems. One is a local impurity and another is a nonlocal Gaussian bath. DEOM constitutes a fundamental theory for such open quantum mixtures. To complete the theory, we construct also the imaginary-time DEOM formalism via an analytical continuation of dissipaton algebra, which would be limited to equilibrium thermodynamics. On the other hand, the real-time DEOM deals with both equilibrium structural and nonequilibrium dynamic properties. Its combination with the thermodynamic integral formalism would be a viable and accurate means to both equilibrium and transient thermodynamics. As illustrations, we report the numerical results on a spin--boson system, with elaborations on the underlying anharmonic features, the thermodynamic entropy versus the von Neumann entropy, and an indication of "solvent-cage" formation. Beside the required asymptotic equilibrium properties, the proposed transient thermodynamics also supports the basic spontaneity criterion.

We study the crossover between equilibrium and off-equilibrium dynamical universality classes in the Vicsek model near its ordering transition. Starting from the incompressible hydrodynamic theory of Chen et al \cite{chen2015critical}, we show that increasing the activity leads to a renormalization group (RG) crossover between the equilibrium ferromagnetic fixed point, with dynamical critical exponent z=2 , and the off-equilibrium active fixed point, with z=1.7 (in d=3 ). We run simulations of the classic Vicsek model in the near-ordering regime and find that critical slowing down indeed changes with activity, displaying two exponents that are in remarkable agreement with the RG prediction. The equilibrium-to-off-equilibrium crossover is ruled by a characteristic length scale beyond which active dynamics takes over. Such length scale is smaller the larger the activity, suggesting the existence of a general trade-off between activity and system's size in determining the dynamical universality class of active matter.