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arXiv:1212.2576

Numerical analysis of second law of thermodynamics and irreversibility in exemplary quantum systems

Gordey B. Lesovik, Ivan Sadovskyy

Published Dec 11, 2012• 0 citations
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Abstract

We test Boltzmann's H-theorem for several models of particle random walk. We study the influence of interaction between the particle and reservoir/detectors on entropy and find entropy increasing in time for some models and behaving non-monotonically for others. The key mechanism affecting the entropy growth is the quantum entanglement between the system and the reservoir. We discuss the details of the system-reservoir interaction, such as presence of the interference in the system and number of interactions with detector parts, and their impact on the monotonicity of entropy.

DOI
10.48550/arxiv.1212.2576

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We test Boltzmann's H-theorem for several models of particle random walk. We study the influence of interaction between the particle and reservoir/detectors on entropy and find entropy increasing in time for some models and behaving non-monotonically for others. The key mechanism affecting the entropy growth is the quantum entanglement between the system and the reservoir. We discuss the details of the system-reservoir interaction, such as presence of the interference in the system and number of interactions with detector parts, and their impact on the monotonicity of entropy.
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The irreversible entropy increase described by the second law of thermodynamics is fundamentally tied to thermalization and the emergence of equilibrium. In the first part of our work (Ref: arXiv.2503.04152), we constructed an isolated gas system model and numerically demonstrated irreversible growth of entanglement entropy caused by erasure of spread non-equilibrium state information. Here, we mathematically prove that for a typical macroscopic system in a non-equilibrium state ∣ϕ0⟩|ϕ_0\rangle∣ϕ0​⟩, the quantum state ∣ϕ0′⟩=O^(t)∣ϕ0⟩|ϕ'_0\rangle = \hat{O}(t)|ϕ_0\rangle∣ϕ0′​⟩=O^(t)∣ϕ0​⟩ will inevitably evolve toward equilibrium. Our work demonstrates that the second law of thermodynamics, and consequently the ergodic hypothesis in statistical physics, can be understood and proven from a quantum information perspective. From this perspective, the second law can be stated as: In typical macroscopic physical systems, the spreading and erasure of non-equilibrium information is inevitable.
It is pointed out that the quantum-mechanical Boltzmann H theorem in the restricted sense (i.e. with explicit consideration of the statistics of the particles constituting the system and their interactions) does not lead directly to the distribution laws for the particles among their various states as is commonly believed, but to the equality of the probability for all states belonging to the system as a whole if the system is isolated, (or to the Boltzmann factor for the probabilities of states belonging to a system at constant temperature), in agreement with the result of the generalized quantum-mechanical H theorem as given by Pauli. The distribution laws for the particles among their various states may of course be deduced from the latter.In the course of proof, we have also introduced the following minor improvements:(i) To avoid conservation of energy in microscopic processes which lead to changes in the states of the particles and thus to equilibrium, we let our system be in interaction with a heat reservoir, so that energy may be supplied by or given to it. This is tauto-mount to changing the study of the entropy for an isolated system to that of the free energy for a system at constant temperature.(ii) Interaction energies between the particles which affect the total energy of the system and thus the distribution laws for the particles among their various states are included.
We consider the temporal evolution of an isolated system of particles from a non-equilibrium state of entropy S = S′ to the equilibrium state of maximum entropy S = S max, S′ ≤ S max. The application of usual density matrix theory to the temporal development of S leads us to the unexpected result P = dS/dt = 0. The entropy does not change in time. This result is valid in case of the equilibrium state. However it is wrong for a non-equilibrium state, which could not irreversibly change from S′ to S max by entropy production P > 0. This contradicts the second law of thermodynamics. The paradoxial result can be traced back to the Liouville theorem. To overcome this difficulty, we introduce the t–P space. The time t and the entropy production P are observables in quantum thermodynamics. They are defined by the eigenvalue equations t|t〉 = t|t〉 and P|P〉 = P|P〉. The operators t and P do not commute. We have a non-vanishing commutator, [t,P] = ik, and consequently a t–P uncertainty relation, ΔtΔP ≥ k/2. The Boltzmann constant k is characteristic of quantum thermodynamics and represents the atomic entropy unit. — The time evolution operator U(τ) = exp[−(i/k)τP] shifts the time t by τ, U(τ)|t〉 = |t + τ〉. The generator of τ is the operator P of entropy production. Then the eigenvector |P〉 is also an eigenket of U(t), and it follows with progressing time τ ≥ 0 that τP ≥ 0 and hence P = dS/dt ≥ 0. This is the second law of thermodynamics, which is correctly reproduced in quantum thermodynamics. — Exchanging −τ for +τ replaces the equations of forward time +τ by the equations of backward time −τ. Independent of the direction of the arrow of time, the entropy of the system always increases or remains constant in the limit of the equilibrium state, dS ≥ 0. This is characteristic of irreversibility, for the system does not return to its initial state on time reversal. — The t–P uncertainty relation allows to discuss the temporal evolution of the expectation value 〈P〉 of entropy production and the lifetime Δt of the transient states, the system passes through on approaching the equilibrium state. In case of a non-equilibrium state 〈P〉, ΔP, and Δt are finite. On approaching the equilibrium state, 〈P〉 and ΔP decrease, consequently Δt increases. Finally, in the case of equilibrium (eq), we have 〈P〉eq = 0, ΔP eq = 0, and Δt eq → ∞. The lifetime of the equilibrium state is unlimited, because the entropy production 〈P〉 and the uncertainty of entropy production ΔP exactly vanish. The temporal evolution of the system can be described by means of a phenomenological equation.
Entropy dynamics of the Coleman–Hepp and the boson detector models are solved by calculating the von Neumann entropy exactly. This is done with the use of our previous results of the density matrices and newly obtained entropy formulae. Randomization and recoherence are found for spin entropy of an incident particle of the CH model when an interaction is strong whereas a staircase increase is observed for the weaker interaction. For the boson detector model, a monotonous time evolution of the entropy is found for arbitrary strength of interaction. Entropy dynamics for detector systems are also determined. Response of the detector depends on the interaction strength, magnitude of detector spins and number of constituent elements of the detectors. Reciprocity relation of entropy between an incident particle and a constituent detector element is found.