Irreversible Work Research Articles

Nonequilibrium quantum thermodynamics in Coulomb crystals

We present an in-depth study of the non-equilibrium statistics of the irreversible work produced during sudden quenches in proximity to the structural linear-zigzag transition of ion Coulomb crystals in 1+1 dimensions. By employing both an analytical approach based on a harmonic expansion and numerical simulations, we show the divergence of the average irreversible work in proximity to the transition. We show that the non-analytic behaviour of the work fluctuations can be characterized in terms of the critical exponents of the quantum Ising chain. Due to the technological advancements in trapped ion experiments, our results can be readily verified.

Irreversible work versus fidelity susceptibility for infinitesimal quenches

We compare the irreversible work produced in an infinitesimal sudden quench of a quantum system at zero temperature with its ground state fidelity susceptibility, giving an explicit relation between the two quantities. We find that the former is proportional to the latter but for an extra term appearing in the irreversible work which includes also contributions from the excited states. We calculate explicitly the two quantities in the case of the quantum Ising chain, showing that at criticality they exhibit different scaling behaviors. The irreversible work, rescaled by square of the quench’s amplitude, exhibits a divergence slower than that of the fidelity susceptibility. As a consequence, the two quantities obey also different finite-size scaling relations.

Irreversible work and internal friction in a quantum Otto cycle of a single arbitrary spin

We propose an arbitrary driven spin as the working fluid of a quantum Otto cycle in the presence of internal friction. The role of total allocated time to the adiabatic branches of the cycle, generated by different control field profiles, on the extractable work and the thermal efficiency are analyzed in detail. The internal friction is characterized by the excess entropy production and quantitatively determined by studying the closeness of an actual unitary process to an infinitely long one via quantum relative entropy. It is found that the non-ideal, finite-time adiabatic transformations negatively effect the work output and the thermal efficiency of the quantum heat engine. The non-monotone dependence of the work output, thermal efficiency, entropy production and the internal friction on the total adiabatic time are elucidated. It is also found that almost frictionless adiabatic transformations with small entropy production can be obtained in a short adiabatic time.

Criticality revealed through quench dynamics in the Lipkin-Meshkov-Glick model

We examine the dynamics after a sudden quench in the magnetic field of the Lipkin-Meshkov-Glick model. Starting from the groundstate and by employing the time-dependent fidelity, we see manifestly different dynamics are present if the system is quenched through the critical point. Furthermore, we show that the average work shows no sensitivity to the quantum phase transition, however the free energy and irreversible work show markedly different rates of change in each phase. Finally, we assess the spectral function showing the fundamental excitations that dictate the dynamics of the post-quenched system, further highlighting the qualitative differences between the dynamics in the two phases.

Non-equilibrium thermodynamics of harmonically trapped bosons

We apply the framework of non-equilibrium quantum thermodynamics to the physics of quenched small-sized bosonic quantum gases in a one-dimensional harmonic trap. We show that dynamical orthogonality can occur in these few-body systems with strong interactions after a quench and we find its occurrence analytically for an infinitely repulsive pair of atoms. We further show this phenomena is related to the fundamental excitations that dictate the dynamics from the spectral function. We establish a clear qualitative link between the amount of (irreversible) work performed on the system and the establishment of entanglement. We extend our analysis to multipartite systems by examining the case of three trapped atoms. We show the initial (pre-quench) interactions play a vital role in determining the dynamical features, while the qualitative features of the two particle case appear to remain valid. Finally, we propose the use of the atomic density profile as a readily accessible indicator of the non-equilibrium properties of the systems in question.

Revisiting the fog bottle experiment

In this article we propose an irreversible adiabatic expansion model, modified from previous work, to explain the fog bottle experiment. Our model divides the phenomenon into five thermodynamic states, and we include in our calculation irreversible work pushing a stopper out of the bottle and heat gain from the condensation of saturated vapour. In the experiment, thermodynamic variables including pressure and temperature as functions of time were measured. The work done in pushing the stopper out was measured and the condensation heat was determined using the Clausius–Clapeyron equation to determine saturated vapour pressure. As a result, fog formation was explained through a phase diagram of water showing the saturated vapour pressure during irreversible adiabatic expansion. Also, state variables (P, V and T) and the entropy change of the real process were compared with the reversible and irreversible adiabatic expansion and our modified process. Using a P–T diagram, we show that the amount of reversible work is always higher than the amount of irreversible work, due to dissipative work. According to our modified model, the dissipative work and the heat transferred from condensation cause irreversibility or .

Superadiabatic quantum heat engine with a multiferroic working medium.

A quantum thermodynamic cycle with a chiral multiferroic working substance such as LiCu_{2}O_{2} is presented. Shortcuts to adiabaticity are employed to achieve an efficient, finite-time quantum thermodynamic cycle, which is found to depend on the spin ordering. The emergent electric polarization associated with the chiral spin order, i.e., the magnetoelectric coupling, renders possible steering of the spin order by an external electric field and hence renders possible an electric-field control of the cycle. Due to the intrinsic coupling between the spin and the electric polarization, the cycle performs an electromagnetic work. We determine this work's mean-square fluctuations, the irreversible work, and the output power of the cycle. We observe that the work mean-square fluctuations are increased with the duration of the adiabatic strokes, while the irreversible work and the output power of the cycle show a nonmonotonic behavior. In particular, the irreversible work vanishes at the end of the quantum adiabatic strokes. This fact confirms that the cycle is reversible. Our theoretical findings evidence the existence of a system inherent maximal output power. By implementing a Lindblad master equation we quantify the role of thermal relaxations on the cycle efficiency. We also discuss the role of entanglement encoded in the noncollinear spin order as a resource to affect the quantum thermodynamic cycle.

Relaxation times in deformed polymer glasses: A comparison between molecular simulations and two theories

Relaxation times in polymer glasses are computed with molecular dynamics simulations of a coarse-grained polymer model during creep and constant strain rate deformation. The dynamics is governed by a competition between physical aging that increases relaxation times and applied load or strain rate which accelerates dynamics. We compare the simulation results quantitatively to two recently developed theories of polymer deformation, which treat aging and rejuvenation in an additive manner. Through stress release and strain rate reversal simulations, we then show that the quantity governing mechanical rejuvenation is the rate of irreversible work performed on the polymer.

Influence of Nitriding and Laser Remelting on Properties of Austenitic Stainless Steel Type X10CrNi18-8 and Cavitation Erosion Resistance

Abstract The paper presents properties of surface layers. Surface layers were obtained by using low temperature glow–discharge nitriding process and laser remelting carried out on austenitic stainless steel type X10CrNi18-8. Investigations were done by using an Ultra Nanoindentation Tester (UNHT) in the Warsaw Institute of Fundamental Technological Research. The influence of the above mentioned treatments on obtained surface layers is shown. The values of the Vickers hardness (HV), the irreversible indentation work (Wir), the reversible work (We) and the maximum depth (hmax) during indentation were determined using the method proposed by Oliver and Pharr [1]. On the basis of mechanical properties, the elasticity (Ie) and ductility (Iir) indexes were calculated. Moreover, microstructure cross-section of the austenitic stainless steel after nitriding process and laser remelting was observed using a scanning electron microscope. Cavitation test was performed at a vibratory rig with stationary specimen. On the basis of erosion curves the cavitation resistance was evaluated.

Work fluctuations in bosonic Josephson junctions

We calculate the first two moments and full probability distribution of the work performed on a system of bosonic particles in a two-mode Bose-Hubbard Hamiltonian when the self-interaction term is varied instantaneously or with a finite-time ramp. In the instantaneous case, we show how the irreversible work scales differently depending on whether the system is driven to the Josephson or Fock regime of the bosonic Josephson junction. In the finite-time case, we use optimal control techniques to substantially decrease the irreversible work to negligible values. Our analysis can be implemented in present-day experiments with ultracold atoms and we show how to relate the work statistics to that of the population imbalance of the two modes.

Nonequilibrium critical scaling in quantum thermodynamics

The emerging field of quantum thermodynamics is contributing important results and insights into archetypal many-body problems, including quantum phase transitions. Still, the question whether out-of-equilibrium quantities, such as fluctuations of work, exhibit critical scaling after a sudden quench in a closed system has remained elusive. Here, we take a novel approach to the problem by studying a quench across an impurity quantum critical point. By performing density matrix renormalization group computations on the two-impurity Kondo model, we are able to establish that the irreversible work produced in a quench exhibits finite-size scaling at quantum criticality. This scaling faithfully predicts the equilibrium critical exponents for the crossover length and the order parameter of the model, and, moreover, implies an exponent for the rescaled irreversible work. By connecting the irreversible work to the two-impurity spin correlation function, our findings can be tested experimentally.

Finite element analysis of thermomechanical behaviour of powders during tabletting

In the current paper, a systematic finite element (FE) analysis of the thermo-mechanical behaviour of pharmaceutical powders during die compaction is performed using the FE solver ABAQUS. The transformation of irreversible compression work to heat during compaction is considered, so is the energy dissipated by the particle–particle friction, and die-wall friction. Die compaction with various shaped punches to produce flat-face (FF), shallow convex (SC) and standard convex (STC) tablets at different compression speeds are then analysed. Evolutions of density and temperature distributions during compaction are examined. The effect of die wall friction on thermo-mechanical behaviours is also explored. It is shown that the punch shape, the compression speed and die-wall friction significantly affect the thermo-mechanical behaviour. The maximum temperature and temperature distribution of the compressed powder changes dramatically when different shaped punches are used. The maximum temperature of the tablet upon ejection can be reduced by decreasing the die-wall friction or the compression speed.

Work statistics, irreversible heat and correlations build-up in joining two spin chains

We investigate the influences of quantum many-body effects, such as criticality and the existence of factorization fields, in the thermodynamic cost of establishing a bonding link between two independent quantum spin chains. We provide a physical interpretation of the behavior of irreversible work spent in such a process by linking the phenomenology of such quantities to the properties of the spectrum of the system.

One- and two-dimensional quantum models: Quenches and the scaling of irreversible entropy.

Using the scaling relation of the ground state quantum fidelity, we propose the most generic scaling relations of the irreversible work (the residual energy) of a closed quantum system at absolute zero temperature when one of the parameters of its Hamiltonian is suddenly changed. We consider two extreme limits: the heat susceptibility limit and the thermodynamic limit. It is argued that the irreversible entropy generated for a thermal quench at low enough temperatures when the system is initially in a Gibbs state is likely to show a similar scaling behavior. To illustrate this proposition, we consider zero-temperature and thermal quenches in one-dimensional (1D) and 2D Dirac Hamiltonians where the exact estimation of the irreversible work and the irreversible entropy is possible. Exploiting these exact results, we then establish the following. (i) The irreversible work at zero temperature shows an appropriate scaling in the thermodynamic limit. (ii) The scaling of the irreversible work in the 1D Dirac model at zero temperature shows logarithmic corrections to the scaling, which is a signature of a marginal situation. (iii) Remarkably, the logarithmic corrections do indeed appear in the scaling of the entropy generated if the temperature is low enough while they disappear for high temperatures. For the 2D model, no such logarithmic correction is found to appear.

Effects of zinc on static and dynamic mechanical properties of copper-zinc alloy

The effects of adding alloy element zinc on the static and dynamic mechanical properties of copper-zinc alloy were investigated. Tensile and low cycle fatigue behaviors of the C11000 copper and H63 copper-zinc alloy were obtained by using a miniature tester that combined the functions of in situ tensile and fatigue testing. A piezoelectric actuator was adopted as the actuator for the fatigue testing, and the feasibility of the fatigue actuator was verified by the transient harmonic response analysis based on static tensile preload and dynamic sinusoidal load. The experimental results show that the yield strength and tensile strength of the C11000 copper are improved after adding 37% (mass fraction) zinc, and H63 copper-zinc alloy presents more obvious cyclic hardening behavior and more consumed irreversible plastic work during each stress cycle compared with C11000 copper for the same strain controlled cycling. Additionally, based on the Manson-Coffin theory, the strain-life equations of the two materials were also obtained. C11000 copper and H63 copper-zinc alloy show transition life of 16832 and 1788 cycles, respectively.

Jarzynski Equality in PT-Symmetric Quantum Mechanics.

We show that the quantum Jarzynski equality generalizes to PT-symmetric quantum mechanics with unbroken PT symmetry. In the regime of broken PT symmetry, the Jarzynski equality does not hold as also the CPT norm is not preserved during the dynamics. These findings are illustrated for an experimentally relevant system-two coupled optical waveguides. It turns out that for these systems the phase transition between the regimes of unbroken and broken PT symmetry is thermodynamically inhibited as the irreversible work diverges at the critical point.

Collective dynamics from stochastic thermodynamics

From a viewpoint of stochastic thermodynamics, we derive equations that describe the collective dynamics near the order-disorder transition in the globally coupled XY model and near the synchronization–desynchronization transition in the Kuramoto model. A new way of thinking is to interpret the deterministic time evolution of a macroscopic variable as an external operation to a thermodynamic system. We then find that the irreversible work determines the equation for the collective dynamics. When analyzing the Kuramoto model, we employ a generalized concept of irreversible work which originates from a non-equilibrium identity associated with steady state thermodynamics.

Out-of-equilibrium thermodynamics of quantum optomechanical systems

We address the out-of-equilibrium thermodynamics of an isolated quantum system consisting of a cavity optomechanical device. We explore the dynamical response of the system when driven out of equilibrium by a sudden quench of the coupling parameter and compute analytically the full distribution of the work generated by the process. We consider linear and quadratic optomechanical coupling, where the cavity field is parametrically coupled to either the position or the square of the position of a mechanical oscillator, respectively. In the former case we find that the average work generated by the quench is zero, whilst the latter leads to a non-zero average value. Through fluctuations theorems we access the most relevant thermodynamical figures of merit, such as the free energy difference and the amount of irreversible work generated. We thus provide a full characterization of the out-of-equilibrium thermodynamics in the quantum regime for nonlinearly coupled bosonic modes. Our study is the first due step towards the construction and full quantum analysis of an optomechanical machine working fully out of equilibrium.

Irreversible work and inner friction in quantum thermodynamic processes.

We discuss the thermodynamics of closed quantum systems driven out of equilibrium by a change in a control parameter and undergoing a unitary process. We compare the work actually done on the system with the one that would be performed along ideal adiabatic and isothermal transformations. The comparison with the latter leads to the introduction of irreversible work, while that with the former leads to the introduction of inner friction. We show that these two quantities can be treated on an equal footing, as both can be linked with the heat exchanged in thermalization processes and both can be expressed as relative entropies. Furthermore, we show that a specific fluctuation relation for the entropy production associated with the inner friction exists, which allows the inner friction to be written in terms of its cumulants.

Implementation of the forward-reverse method for calculating the potential of mean force using a dynamic restraining protocol.

We present a new sampling and analysis scheme for calculating the potential of mean force (PMF) of systems studied by steered molecular dynamics simulations. This scheme, which we call the bin-passing method, is based on the forward-reverse (FR) method (due to I. Kosztin and co-workers, Kosztin et al. J. Chem. Phys. 2006, 124(6), 064106) and arguments based on the second law of thermodynamics. Applying the bin-passing method results in enhanced sampling, better separation of the reversible and irreversible work distributions, and faster convergence to the underlying PMF of the system under study. Post-simulation analysis is performed using a purpose-built software that we have made publicly available at https://github.com/1particle/bin-passing_analyzer under the terms of the GNU General Public License (version 3). Three examples are provided, for systems of varying sizes and complexities, to demonstrate the efficiency of this method and the quality of the results: for the dissociation PMF of NaCl in water, the bin-passing method obtains PMFs in excellent agreement with that obtained for the same system and using the same force-field through static (equilibrium) methods. The bin-passing method gives a very symmetric PMF for passage of a single water molecule through a DPPC bilayer, and the resultant PMF leads to permeability values in better agreement with experiments than those obtained through previous simulation studies. Finally, we consider the interaction of the antimicrobial peptide HHC-36 with two model membranes and employ the bin-passing method to obtain the PMFs for peptide adsorption to the membranes. The characteristics of these PMFs are consistent with the qualities established for the HHC-36 peptide through in vivo and in vitro experiments, as a non-toxic strong antimicrobial agent.