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arXiv:1904.03473 · Physical review. E

Entropy nonconservation and boundary conditions for Hamiltonian dynamical systems

Gerard McCaul, Alexander Nikolaevich Pechen, Denys I. Bondar

Published Jun 20, 2019• 7 citations
arXivHTMLPDF

Abstract

Applying the theory of self-adjoint extensions of Hermitian operators to Koopman von Neumann classical mechanics, the most general set of probability distributions is found for which entropy is conserved by Hamiltonian evolution. A new dynamical phase associated with such a construction is identified. By choosing distributions not belonging to this class, we produce explicit examples of both free particles and harmonic systems evolving in a bounded phase-space in such a way that entropy is nonconserved. While these nonconserving states are classically forbidden, they may be interpreted as states of a quantum system tunneling through a potential barrier boundary. In this case, the allowed boundary conditions are the only distinction between classical and quantum systems. We show that the boundary conditions for a tunneling quantum system become the criteria for entropy preservation in the classical limit. These findings highlight how boundary effects drastically change the nature of a system.

DOI
10.1103/physreve.99.062121

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Applying the theory of self-adjoint extensions of Hermitian operators to Koopman von Neumann classical mechanics, the most general set of probability distributions is found for which entropy is conserved by Hamiltonian evolution. A new dynamical phase associated with such a construction is identified. By choosing distributions not belonging to this class, we produce explicit examples of both free particles and harmonic systems evolving in a bounded phase-space in such a way that entropy is nonconserved. While these nonconserving states are classically forbidden, they may be interpreted as states of a quantum system tunneling through a potential barrier boundary. In this case, the allowed boundary conditions are the only distinction between classical and quantum systems. We show that the boundary conditions for a tunneling quantum system become the criteria for entropy preservation in the classical limit. These findings highlight how boundary effects drastically change the nature of a system.
We show how to use boundary conditions to drive the evolution on a quantum mechanical system. We will see how this problem can be expressed in terms of a time-dependent Schrödinger equation. In particular, we will need the theory of self-adjoint extensions of differential operators in manifolds with boundary. An introduction of the latter as well as meaningful examples will be given. It is known that different boundary conditions can be used to describe different topologies of the associated quantum systems. We will use the previous results to study the topology change and to obtain necessary conditions to accomplish it in a dynamical way.
Within the framework of the quantum-statistical approach, utilizing both non-Hermitian Hamiltonian and Lindblad’s jump operators, one can derive various generalizations of the von Neumann equation for reduced density operators, also known as hybrid master equations. If one considers the evolution of pure states only, i.e., disregarding the coherence between states and spontaneous transitions from pure to mixed states, then one can resort to quantum-mechanical equations of the Schrödinger type. We derive them from the hybrid master equations and study their main properties, which indicate that our equations have a larger range of applicability compared to other generalized Schrödinger equations proposed hitherto. Among other features, they can describe not only systems which remain in the stationary eigenstates of the Hamiltonian as time passes, but also those which evolve from those eigenstates. As an example, we consider a simple but important model, a quantum harmonic oscillator driven by both Hamiltonian and non-Hamiltonian terms, and derive its classical limit, which turns out to be the damped harmonic oscillator. Using this model, we demonstrate that the effects of dissipative environments of different types can cancel each other, thus resulting in an effectively dissipation-free classical system. Another discussed phenomenon is whether a non-trivial quantum system can reduce to a classical system in free motion, i.e., without experiencing any classical Newtonian forces. This uncovers a large class of quantum-mechanical non-Hamiltonian systems whose dynamics are not determined by conventional mechanics’ potentials and forces, but rather come about through quantum statistical effects caused by the system’s environment.
For a quantum state undergoing unitary Schrödinger time evolution, the von Neumann entropy is constant. Yet the second law of thermodynamics, and our experience, show that entropy increases with time. Ingarden introduced the quantum operator entropy, which is the Shannon entropy of the probability distribution for the eigenvalues of a Hermitian operator [R. S. Ingarden, Quantum information theory, Rep. Math. Phys. 10, 43 (1976)RMHPBE0034-487710.1016/0034-4877(76)90005-7]. These entropies characterize the missing information about a particular observable inherent in the quantum state itself. The von Neumann entropy is the quantum operator entropy for the case when the operator is the density matrix. We examine pure state unitary evolution in a simple model system composed of a set of highly interconnected topologically disordered states and a time-independent Hamiltonian. An initially confined state is subject to free expansion into available states. The time development is completely reversible with no loss of quantum information and no course graining is applied. The positional entropy increases in time in a way that is consistent with both the classical statistical mechanical entropy and the second law.
For a quantum state undergoing unitary Schrodinger time evolution, the von Neumann entropy is constant. Yet the second law of thermodynamics, and our experience, show that entropy increases with time. Ingarden introduced the quantum operator entropy, which is the Shannon entropy of the probability distribution for the eigenvalues of a Hermitian operator. These entropies characterize the missing information about a particular observable inherent in the quantum state itself. The von Neumann entropy is the quantum operator entropy for the case when the operator is the density matrix. We examine pure state unitary evolution in a simple model system comprised of a set of highly-interconnected topologically disordered states and a time-independent Hamiltonian. An initially confined state is subject to free expansion into available states. The time development is completely reversible with no loss of quantum information and no course graining is applied. The positional entropy increases in time in a way that is consistent with both the classical statistical mechanical entropy and the second law.
The Koopman–von Neumann (KvN) formulation recasts deterministic classical mechanics in a Hilbert-space operator framework analogous to quantum mechanics. In this approach, the Liouville equation is expressed as a Schrödinger-type evolution equation generated by a Hermitian operator, yielding unitary propagation for phase-space-volume-preserving dynamics. We first clarify the relationship among the Koopman, Perron–Frobenius, and Liouville operators through an explicit example. Wilczek's construction shows that the KvN formalism is not only restricted to canonical Hamiltonian mechanics but this can be generalized any first-order classical dynamical system. Wilczek shows how a general autonomous first-order system can be generated by a Hermitian temporal-evolution operator after the introduction of auxiliary conjugate variables. We develop the KvN description of systems driven by Hamiltonian curl forces–position-dependent, non-conservative forces that are non-dissipative and preserve phase-space volume. Finally, we extend the KvN formalism to non-Hamiltonian systems using the Jacobi Last Multiplier and examine its connection to the Boltzmann H-theorem.