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arXiv:1501.05402

Statistical Mechanics Derived From Quantum Mechanics

Yulei Feng, Yi-Xin Chen

Published Jan 22, 2015• 0 citations
arXivHTMLPDF

Abstract

A pedagogical derivation of statistical mechanics from quantum mechanics is provided, by means of open quantum systems. Besides, a new definition of Boltzmann entropy for a quantum closed system is also given to count microstates in a way consistent with the superposition principle. In particular, this new Boltzmann entropy is a constant that depends only on the dimension of the system's relevant Hilbert subspace. Finally, thermodynamics for quantum systems is investigated formally.

DOI
10.48550/arxiv.1501.05402

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A pedagogical derivation of statistical mechanics from quantum mechanics is provided, by means of open quantum systems. Besides, a new definition of Boltzmann entropy for a quantum closed system is also given to count microstates in a way consistent with the superposition principle. In particular, this new Boltzmann entropy is a constant that depends only on the dimension of the system's relevant Hilbert subspace. Finally, thermodynamics for quantum systems is investigated formally.
Deriving the laws of thermodynamics from a microscopic picture is a central quest of statistical mechanics.This tutorial focuses on the derivation of the first and second law for isolated and open quantum systems far from equilibrium, where such foundational questions also become practically relevant for emergent nanotechnologies.The derivation is based on a microscopic definition of five essential quantities: internal energy, thermodynamic entropy, work, heat, and temperature.These definitions are shown to satisfy the phenomenological laws of nonequilibrium thermodynamics for a large class of states and processes.The consistency with previous results is demonstrated.The framework applies to multiple baths including particle transport and accounts for processes with, e.g., a changing temperature of the bath, which is determined microscopically.An integral fluctuation theorem for entropy production is satisfied.In summary, this tutorial introduces a consistent and versatile framework to understand and apply the laws of thermodynamics in the quantum regime and beyond.
A quantum statistical expression for the entropy of a nonequilibrium system is defined so as to be consistent with Gibbs’ relation, and is shown to corresponds to dynamical variable by introducing analogous to the Heisenberg picture in quantum mechanics. The general relation between system-reservoir interactions and an entropy change operator in an open quantum system, relying just on the framework of statistical mechanics and the definition of von Neumann entropy. By using this formula, we can obtain the correct entropy production in the linear response framework. The present derivation of entropy production is directly based on the first principle of microscopic time-evolution, while the previous standard argument is due to the thermodynamic energy balance.
We show that the second law of thermodynamics is rooted in quantum mechanics, inasmuch as allowing the substitution of the Boltzmann constant k and temperature with respectively the Planck constant and quantum numbers. In particular, we will see that the entropy S becomes proportional to the natural logarithm of the average of the squared quantum numbers n2‾, where each quantum number is associated with a quantum state of the constituents of the thermodynamical system under consideration. It is important to stress that the present approach furnishes the corrected Boltzmann entropy expression. Thus, instead of S=klnΩ, with Ω in the former signifying the number of Boltzmann microstates, we land at S=klnn2‾ The results obtained are discussed.
Statistical formulations of thermodynamic entropy, such as those by Boltzmann and Gibbs, were originally developed for classical systems and are well understood in that context. However, the foundational aspects of quantum statistical mechanics remain an area of active debate and are yet to be fully understood. This work is motivated by the need to develop a comprehensive understanding of the statistical measures of thermodynamic entropy in quantum systems - a topic intimately connected to the phenomenon of quantum thermalization. In particular, we investigate the conditions under which the von Neumann entropy can be regarded as a valid statistical measure of thermodynamic entropy in quantum systems. This paper demonstrates that the equivalence between the von Neumann and thermodynamic entropies is not universal, but instead depends on several subtle and often overlooked assumptions. In this context, we also briefly revisit key criticisms of von Neumann entropy - particularly its time-invariance and subadditivity - and argue that these concerns can be meaningfully addressed in the setting of thermodynamic systems. To substantiate some arguments and to clarify some issues, we provide suitable numerical results from our analysis of a spin-1/2 system.
In these notes we will give an overview and road map for a definition and characterization of (relative) entropy for both classical and quantum systems. In other words, we will provide a consistent treatment of entropy which can be applied within the recently developed Orlicz space based approach to large systems. This means that the proposed approach successfully provides a refined framework for the treatment of entropy in each of classical statistical physics, Dirac's formalism of Quantum Mechanics, large systems of quantum statistical physics, and finally also for Quantum Field Theory.
Entropy is a fundamental concept which emerged along with other ideas during the development of thermodynamics and statistical mechanics Landau and Lifshitz (1978); Lieb and Yngvason (1999). Entropy has developed foremost out of phenomenological thermodynamical considerations such as the second law of thermodynamics in which it plays a prominent role Wehrl (1978). With the intense interest in the investigation of the physics of matter at the atomic and subatomic quantum levels, it maywell be askedwhether this concept can emerge out of the study of systems at a more fundamental level. In fact, it may be argued that a correct definition is only possible in the framework of quantum mechanics, whereas in classical mechanics, entropy can only be introduced in a rather limited and artificial way. Entropy relates macroscopic and microscopic aspects of nature, and ultimately determines the behavior of macroscopic systems. It is the intention here to present an introduction to this subject in a readable manner from the quantum point of view. There are many reasons for undertaking this. The intense interest in irreversible thermodynamics Grossing (2008), the statistical mechanics of astrophysical objects Padmanabhan (1990); Pathria (1977), quantum gravity and entropy of black holes Peres & al. (2004), testing quantum mechanics Ballentine (1970) and applications to condensed matter and quantum optics Haroche & al. (2006); Raimond & al. (2001) are just a few areas which are directly or indirectly touched on here. Let us begin by introducing the concept of entropy from the quantummechanical perspective, realizing that the purpose is to focus on quantum mechanics in particular. Quantum mechanics makes a clear distinction between observables and states. Observables such as position and momentum are mathematically described by self-adjoint operators in a Hilbert space. States, which are generally mixed, can be described by a density matrix, which is designated by ρ throughout. This operator ρ is Hermitean, has trace one and yields the expectation value of an observable A in the state ρ through the definition