We provide a stochastic thermodynamic description across scales for $N$ identical units with all-to-all interactions that are driven away from equilibrium by different reservoirs and external forces. We start at the microscopic level with Poisson rates describing transitions between many-body states. We then identify an exact coarse graining leading to a mesoscopic description in terms of Poisson transitions between system occupations. We proceed studying macroscopic fluctuations using the Martin-Siggia-Rose formalism and large deviation theory. In the macroscopic limit ($N \to \infty$), we derive the exact nonlinear (mean-field) rate equation describing the deterministic dynamics of the most likely occupations. We identify the scaling of the energetics and kinetics ensuring thermodynamic consistency (including the detailed fluctuation theorem) across microscopic, mesoscopic and macroscopic scales. The conceptually different nature of the Shannon entropy (and of the ensuing stochastic thermodynamics) at different scales is also outlined. Macroscopic fluctuations are calculated semi-analytically in an out-of-equilibrium Ising model. Our work provides a powerful framework to study thermodynamics of nonequilibrium phase transitions.
A Bose gas in an external potential is studied by means of the local density approximation. Analytical results are derived for the thermodynamic properties of an ideal Bose gas in a generic power-law trapping potential, and their dependence on the mutual interaction of atoms in the case of a non-ideal Bose gas.
We calculate the quantum corrections of the thermodynamic quantities of a system of confined Bosons at finite temperature. Systematically quantum corrections are written in a series of $\hbar$, which is convergent when $kT$ is much larger than the spacing between energy levels of the system. We apply this method to calculate analytically the thermodynamic potential of a weakly interacting Bose-gas confined in 3-d harmonic oscillator potential. For large number of particles, quantum corrections become small, and contribute to the finite size corrections to scaling.
The thermodynamic uncertainty relation sets the minimal bound of the cost-precision trade-off relation for dissipative processes. Examining the dynamics of an internally coupled system that is driven by a constant thermodynamic force, we however find that the trade-off relation of a sub-system is not constrained by the minimal bound of conventional uncertainty relation. We made our point explicit by using an exactly solvable model of interacting oscillators. As the number (N) of interacting oscillators increases, the uncertainty bound of individual oscillators is reduced to 2k_B T/N upon full …
The thermodynamic uncertainty relation (TUR) has been well studied for systems with few degrees of freedom. While, in principle, the TUR holds for more complex systems with many interacting degrees of freedom as well, little is known so far about its behavior in such systems. We analyze the TUR in the thermodynamic limit for mixtures of driven particles with short-range interactions. Our main result is an explicit expression for the optimal estimate of the total entropy production in terms of single-particle currents and correlations between two-particle currents. Quantitative results for vari…
We consider the dynamics and thermodynamics of a pair of magnetic dipoles interacting via their magnetic fields. We consider only the "spin" degrees of freedom; the dipoles are fixed in space. With this restriction it is possible to provide the general solution of the equations of motion in analytical form. Thermodynamic quantities, such as the specific heat and the zero field susceptibility are calculated by combining low temperature asymptotic series and a complete high temperature expansion. The thermal expectation value of the autocorrelation function is determined for the low temperature …
We investigate the thermodynamics of simple (non-interacting) transport models beyond the scope of weak coupling. For a single fermionic or bosonic level -- tunnel-coupled to two reservoirs -- exact expressions for the stationary matter and energy current are derived from the solutions of the Heisenberg equations of motion. The positivity of the steady-state entropy production rate is demonstrated explicitly. Finally, for a configuration in which particles are pumped upwards in chemical potential by a downward temperature gradient, we demonstrate that the thermodynamic efficiency of this proce…
We investigate the interaction effect between atoms and the finite size effect of a Bose-Einstein gas at finite temperature. Using a mean field approach, we derive the thermodynamic potential on finite systems and obtain the condensate fraction, the chemical potential and the internal energy with the interaction and the finite size effects taken into account. In this approach, we can treat thermodynamic quantities as those of the ideal Bose gas. It is found that the interaction effect shifts the transition temperature by a few percent toward the lower temperature. Above the transition temperat…
We investigate the combined influence of a magnetic field and a harmonic interparticle interaction on the thermodynamic properties of a finite number of spin polarized fermions in a confiment potential. This study is an extension using our path integral approach of symmetrized density matrices for identical particles. The thermodynamical properties are calculated for a three dimensional model of N harmonically interacting spin polarized fermions in a parabolic potential well in the presence of a magnetic field. The free energy and the internal energy are obtained for a limited number of partic…
We present an exact derivation of the isobaric partition function of lattice hard rods with arbitrary nearest neighbor interactions. Free energy and all thermodynamics functions are derived accordingly and they written in a form that is a suitable for numerical implementation. As an application, we have considered lattice rods with pure hard core interactions, rods with long range gravitational attraction and finally a charged hard rods with charged boundaries (Bose gas), a model that is relevant for studying several phenomena such as charge regulation, ionic liquids near charged interfaces, a…
The effect of nearest-neighbor coupling on the thermodynamic and dynamical properties of the ferromagnetic Hamiltonian Mean Field model (HMF) is studied. For a range of antiferromagnetic nearest-neighbor coupling, a canonical first order transition is observed, and the canonical and microcanonical ensembles are non-equivalent. In studying the relaxation time of non-equilibrium states it is found that as in the HMF model, a class of non-magnetic states is quasi-stationary, with an algebraic divergence of their lifetime with the number of degrees of freedom $N$. The lifetime of metastable states…
A universal large $\mathcal{N}$ theory of nonequilibrium fluctuations emerges in the limit of fast jump rates and large occupancies. We use this theory to derive a set of coarse grained thermodynamic uncertainty relations (TUR) -- one of them being an activity bound. Importantly, the activity serves as a tighter bound for the entropy production in 1D systems. These results are particularly useful in the many-body regime, where typically a coarse grained approach is required to handle the large microscopic state space.
We use thermalization indicators and numerical linked cluster expansions to probe the onset of many-body localization in a disordered one-dimensional hard-core boson model in the thermodynamic limit. We show that after equilibration following a quench from a delocalized state, the momentum distribution indicates a freezing of one-particle correlations at higher values than in thermal equilibrium. The position of the delocalization to localization transition, identified by the breakdown of thermalization with increasing disorder strength, is found to be consistent with the value from the level …
In noninteracting limit, the density of states of a many body system can be expressed as the convolution of single body density of states of its subunits. Here we use the formulation to derive the ensemble averaged many body density of states for the cases in which subunits can be modelled by Gaussian or Wishart random matrix ensembles.
Systems with interacting degrees of freedom play a prominent role in stochastic thermodynamics. Our aim is to use the concept of detached path probabilities and detached entropy production for bipartite Markov processes and elaborate on a series of special cases including measurement-feedback systems, sensors and hidden Markov models. For these special cases we show that fluctuation theorems involving the detached entropy production recover known results which have been obtained separately before. Additionally, we show that the fluctuation relation for the detached entropy production can be us…
A few decades after Hill's work on nano-thermodynamics, the development of a thermodynamic framework, to account consistently for the fluctuations of small systems due to their interactions with the surrounding environment, is still underway. Here we discuss how, in a small system, the interaction energy with the environment may be described through a conjugate pair of intensive and extensive variables, giving rise to a Gibbs thermodynamics with an additional thermodynamic degree of freedom. The relevant thermodynamic potentials help describe the equilibrium conditions and the material propert…
The thermodynamic properties of two-component Fermi gases with divergent scattering length is investigated and the transition temperature for the emergence of a stable dimeric gas is obtained by a simple theoretical model where the unique property of the dimers (i.e. fermionic atom pairs) with divergent scattering length is considered. Below the transition temperature, through the investigation of the overall entropy for the mixture gas of fermionic atoms and dimers, we calculate the relation between the energy and temperature of the system. In the limit of zero temperature, based on the chemi…
Starting from the stochastic thermodynamics description of two coupled underdamped Brownian particles, we showcase and compare three different coarse-graining schemes leading to an effective thermodynamic description for the first of the two particles: marginalization over one particle, bipartite structure with information flows and the Hamiltonian of mean force formalism. In the limit of time-scale separation where the second particle with a fast relaxation time scale locally equilibrates with respect to the coordinates of the first slowly relaxing particle, the effective thermodynamics resul…
There is a long-standing question of whether it is possible to extend the formalism of equilibrium thermodynamics to the case of non-equilibrium systems in steady states. We have made such an extension for an ideal gas in a heat flow [Hołyst \emph{et al.}, J. Chem. Phys. 157, 194108 (2022)]. Here we investigate whether such a description exists for the system with interactions: the Van der Waals gas in a heat flow. We introduce the parameters of state, each associated with a single way of changing energy. The first law of non-equilibrium thermodynamics follows from these parameters. The intern…
The approach to a substantiation of thermodynamics is offered. A conservative system of interacting elements, which is not in equilibrium, is used as a model. This system is then split into small subsystems that are accepted as being in equilibrium. Based on the D'Alambert equation for a subsystem the generalized Liouville equation is obtained. A necessary condition for irreversibility is determined. This condition is dependence the forces of interaction of subsystems on relative velocities. The equation of motion of subsystems of potentially interacting elements is obtained. The non-potential…
We show that the zeroth principle of thermodynamics applies to aging quasistationary states of long-range interacting $N$-body Hamiltonian systems. We also discuss the measurability of the temperature in these out-of-equilibrium states using a {\it short-range} interacting thermometer. As many connections are already established between such quasistationary states and nonextensive statistical mechanics, our results are the first evidence that such basic concepts apply to systems that the nonextensive formalism aims to describe.
We construct a quantum Monte Carlo algorithm for interacting fermions using the two-body density as the fundamental quantity. The central idea is mapping the interacting fermionic system onto an auxiliary system of interacting bosons. The correction term is approximated using correlated wave functions for the interacting system, resulting in an effective potential that represents the nodal surface. We calculate the properties of 3He and find good agreement with experiment and with other theoretical work. In particular, our results for the total energy agree well with other calculations where t…
We present the exact thermodynamics (isochores, isotherms, isobars, response functions) of a statistically interacting quantum gas in D dimensions. The results in D=1 are those of the thermodynamic Bethe ansatz for the nonlinear Schroedinger model, a gas with repulsive two-body contact potential. In all dimensions the ideal boson and fermion gases are recovered in the weak-coupling and strong-coupling limits, respectively. For all nonzero couplings ideal fermion gas behavior emerges for D>>1 and, in the limit D->infinity, a phase transition occurs at T>0. Significant deviations from ideal quan…
In this paper, the emergence of macroscopic-scale pseudo time-irreversibility is studied in the closed classical many-body system of pair interacting particles. First, exact continuum equations are derived to the Hamiltonian dynamics without the utilisation of statistical mechanics. Next, it is shown that the momentum density field incorporates the thermal degrees of freedom in the considered scaling limit, and therefore initial condition indicated pseudo time-irreversible solutions may exist to the dynamical equations. Numerical evidence for pseudo-irreversible thermal equilibration, heat and…
The generalized Gibbs-Duhem equation is obtained for systems with long-range interactions in $d$ spatial dimensions. We consider that particles in the system interact through a slowly decaying pair potential of the form $1/r^ν$ with $0\leqν\leq d$. The local equation of state is obtained by computing the local entropy per particle and using the condition of local thermodynamic equilibrium. This local equation of state turns out to be that of an ideal gas. Integrating the relation satisfied by local thermodynamic variables over the volume, the equation involving global magnitudes is derived. Th…
Some thermodynamic properties of weakly interacting Bose systems are derived from dimensional and heuristic arguments and thermodynamic relations, without resorting to statistical mechanics.
A numerical approach is presented which allows to calculate the equilibrium properties of Fermi systems which are both, strongly coupled and strongly degenerate. Based on a novel path integral representation of the many-particle density operator, quantum and spin effects are included. As an illustration, results for the pressure and energy of an electron-proton plasma are presented.
The determination of the Landau free energy (the grand thermodynamic potential) by a perturbation theory is advanced to arbitrary order for the specific case of non-interacting fermionic systems perturbed by a one-particle potential. Peculiar features of the formalism are highlighted, and its applicability for bosons is indicated. The results are employed to develop a more explicit approach describing exchange interactions between spins of Anderson's magnetic impurities in metals, semiconductors, and insulators. Within the fourth order our theory provides on the equal footing formulae for the …
The thermodynamic limit of the internal energy and the entropy of the system of quantum interacting particles in random medium is shown to exist under the crucial requirements of stability and temperedness of interactions. The energy turns out to be proportional to the number of particles and/or volume of the system in the thermodynamic limit. The obtained results require very general assumptions on the random one-particle model. The methods are mainly based on subadditive type inequalities.
I demonstrate that $^4$He adsorbates in carbon nanotube materials can be treated as one-dimensional interacting gas of spinless bosons for temperatures below 8 K and for coverages such that all the adsorbates are in the groove positions of the carbon nanotube bundles. The effects of adsorbate-adsorbate interactions are studied within the scheme of virial expansion approach. The theoretical predictions for the specific heat of the interacting adsorbed gas are given.
This paper considers a type of generalized large $q$ SYK models which include multi-body interactions between Majorana fermions. We derive an effective action in the limit of large $N$ and large $q$ (with ${~q^2\over N} $ small), and find a universal expression for thermodynamical quantities. We also consider the chaos exponent using the retarded kernel method and find an efficient way to calculate the Lyapunov exponent for generalized large $q$ SYK models numerically.
Using collision driven discrete molecular dynamics (DMD), we investigate the thermodynamics and dynamics of systems of 500 dumbbell molecules interacting by a purely repulsive ramp-like discretized potential, consisting of $n$ steps of equal size. We compare the behavior of the two systems, with $n = 18$ and $n = 144$ steps. Each system exhibits both thermodynamic and dynamic anomalies, a density maximum and the translational and rotational mobilities show anomalous behavior. Starting with very dense systems and decreasing the density, both mobilities first increase, reache a maximum, then dec…
Large-scale molecular dynamics simulations are performed to predict the structural and thermodynamic properties of liquid krypton using a potential energy function based on the two-body potential of Aziz and Slaman plus the triple-dipole Axilrod-Teller (AT) potential. By varying the strength of the AT potential we study the influence of three-body contribution beyond the triple-dipole dispersion. It is seen that the AT potential gives an overall good description of liquid Kr, though other contributions such as higher order three-body dispersion and exchange terms cannot be ignored.
We aim to study thermodynamics of multiple two-body systems with long-range correlation using non-extensive statistics. Long-range correlation will cause multiple systems in anomalous diffusion. We consider the influence of long-range correlation as a background noise effect on a two-body system. We solve probability and entropy equations of a two-body system to obtain the temperature and distance dependence of the non-extensive parameter. The result shows the long-range correlation changes the system's entropy and energy. The more strongly is the system bounded, the less its energy is affecte…
On the basis of a macroscopic ground state population it was argued recently that Bose-Einstein condensation should occur in a one-dimensional harmonic potential. We examine this situation by drawing analogies to Bosons in a two-dimensional box, where the thermodynamic limit is well-defined. We show that in both systems although the ground state populations show sharp onsets at the critical temperature, the behaviour of the specific heat is analytic, which proves the absence of a phase transition in these systems.
We study the statistics of the work done, the fluctuation relations and the irreversible entropy production in a quantum many-body system subject to the sudden quench of a control parameter. By treating the quench as a thermodynamic transformation we show that the emergence of irreversibility in the nonequilibrium dynamics of closed many-body quantum systems can be accurately characterized. We demonstrate our ideas by considering a transverse quantum Ising model that is taken out of equilibrium by the instantaneous switching of the transverse field.
We study the mechanical and thermodynamic properties of different traffic models for kinesin which are relevant in biological and experimental contexts. We find that motor-motor interactions play a fundamental role by enhancing the thermodynamic efficiency at maximum power of the motors, as compared to the non-interacting system, in a wide range of biologically compatible scenarios. We furthermore consider the case where the motor-motor interaction directly affects the internal chemical cycle and investigate the effect on the system dynamics and thermodynamics.
It is argued that a typical many body energy eigenstate has a well defined thermodynamic entropy and that individual eigenstates possess thermodynamic characteristics analogous to those of generic isolated systems. We examine large systems with eigenstate energies equivalent to finite temperatures. When quasi-static evolution of a system is adiabatic (in the quantum mechanical sense), two coupled subsystems can transfer heat from one subsystem to another yet remain in an energy eigenstate. To explicitly construct the entropy from the wave function, degrees of freedom are divided into two unequ…
We calculate the entropy in a trapped, resonantly interacting Fermi gas as a function of temperature for a wide range of magnetic fields between the BCS and Bose-Einstein condensation endpoints. This provides a basis for the important technique of adiabatic sweep thermometry, and serves to characterize quantitatively the evolution and nature of the excitations of the gas. The results are then used to calibrate the temperature in several ground breaking experiments on $^6$Li and $^{40}$K.
The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in this non-interacting system, which can enable us to set up the thermodynamical relations for a neutral electron-nucleus mixture in terms of quantities of the non-interacting system and the exchange-correlation effect. In this way, Andersen's force theorems are clearly described and easily proved in conjunction with other types of force theorems, Janak's theor…
We explore the possibility that physical phenomena arising from interacting multi-particle systems, can be usefully interpreted in terms of multi-player games. We show how non-cooperative phenomena can emerge from Ising Hamiltonians, even though the individual spins behave cooperatively. Our findings establish a mapping between two fundamental models from condensed matter physics and game theory.
Thermodynamics of quantum systems out-of-equilibrium is very important for the progress of quantum technologies, however, the effects of many body interactions and their interplay with temperature, different drives and dynamical regimes is still largely unknown. Here we present a systematic study of these interplays: we consider a variety of interaction (from non-interacting to strongly correlated) and dynamical (from sudden quench to quasi-adiabatic) regimes, and draw some general conclusions in relation to work extraction and entropy production. As treatment of many-body interacting systems …
The two classes of membrane transport, namely, secondary active and passive transport, are understood as different reaction pathways in the same protein structure, described by the 16-state model in this paper. To quantify the thermodynamic difference between secondary active transport and passive transport, we extend the second law of information thermodynamics of the autonomous demon in the four-state model composed of two subsystems to the 16-state model composed of four subsystems representing the membrane transport. We reduce the 16 states to 4 states and derive the coarse-grained second …
Systems of interacting fermions can give rise to ground states whose correlations become effectively free-fermion-like in the thermodynamic limit, as shown by Baxter for a class of integrable models that include the one-dimensional XYZ spin-$\frac{1}{2}$ chain. Here, we quantitatively analyse this behaviour by establishing the relation between system size and correlation length required for the fermionic Gaussianity to emerge. Importantly, we demonstrate that this behaviour can be observed through the applicability of Wick's theorem and thus it is experimentally accessible. To establish the re…
An exact closed relativistic kinetic equation is derived for a system of identical classical particles interacting with each other through a scalar field. The microscopic deterministic mechanism of the irreversible equilibration process in a relativistic classical system of interacting particles has been established. Keywords: Irreversible equilibration process; Classical relativistic dynamics; Retarded interactions.
Numerical evidence is given for non-ergodic (non-mixing) behavior, exhibiting ideal transport, of a simple non-integrable many-body quantum system in the thermodynamic limit, namely kicked $t-V$ model of spinless fermions on a ring. However, for sufficiently large kick parameters $t$ and $V$ we recover quantum ergodicity, and normal transport, which can be described by random matrix theory.
The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum-statistical mechanics provide consistent but computational costly approaches; alternatively, use of density-dependent ballistic-transport calculations [e.g., Phys. Rev. B 52, 5335 (1995)], here denoted `DBT', provide computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory fo…
The limit n to infinity of the classical O(n) phi^4 model on a 3d film with free surfaces is studied. Its exact solution involves a self-consistent 1d Schrödinger equation, which is solved numerically for a partially discretized as well as for a fully discrete lattice model. Numerically exact results are obtained for the scaled Casimir force at all temperatures. Obtained via a single framework, they exhibit all relevant qualitative features of the thermodynamic Casimir force known from wetting experiments on Helium-4 and Monte Carlo simulations, including a pronounced minimum below the bulk cr…
We demonstrate the effectiveness of quantum optimal control techniques in harnessing irreversibility generated by non-equilibrium processes, implemented in unitarily evolving quantum many-body systems. We address the dynamics of a finite-size quantum Ising model subjected to finite-time transformations, which unavoidably generate irreversibility. We show that work can be generated through such transformation by means of optimal controlled quenches, while quenching the degree of irreversibility to very low values, thus boosting the efficiency of the process and paving the way to a fully control…
Wavefunction structure is analyzed for dense interacting many-boson systems using Hamiltonian $H$, which is a sum of one-body $h(1)$ and an embedded GOE of $k$-body interaction $V(k)$ with strength $λ$. In the first analysis, a complete analytical description of the variance of the strength function as a function of $λ$ and $k$ is derived and the marker $λ_t$ defining thermalization region is obtained. In the strong coupling limit ($λ> λ_t$), the conditional $q$-normal density describes Gaussian to semi-circle transition in strength functions as body rank $k$ of the interaction increases. In t…
For a quantum (many-body) system with dynamical symmetry described by a given Lie group, we study the trace of exponential operators with complex coefficients in one of the irreducible subspaces in terms of the boson realization. By using this approach, for compact groups, we obtain the result of the trace that is consistent with the well-known Weyl character formula. For non-compact groups (with SU(1,1) as an application), convergent condition of the trace is also obtained. This approach may be a powerful tool to study the thermodynamics of quantum (many-body) systems in equilibrium state or …
The proof of the existence of the thermodynamic limit for electrons and nuclei interacting via the Coulomb potential, in the framework of non-relativistic quantum mechanics, was accomplished decades ago. This result did not take account of interactions caused by magnetic fields, however, (the spin-spin interaction, in particular) or of the quantized nature of the electromagnetic field. Recent progress has made it possible to undertake such a proof in the context of non-relativistic QED. This paper contains one part of such a proof by giving a lower bound to the free energy which is proportiona…
