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arXiv:2112.04067 · European Journal for Philosophy of Science

Understanding probability and irreversibility in the Mori-Zwanzig projection operator formalism

Michael te Vrugt

Published Jun 22, 2022• 13 citations

Abstract

Abstract Explaining the emergence of stochastic irreversible macroscopic dynamics from time-reversible deterministic microscopic dynamics is one of the key problems in philosophy of physics. The Mori-Zwanzig (MZ) projection operator formalism, which is one of the most important methods of modern nonequilibrium statistical mechanics, allows for a systematic derivation of irreversible transport equations from reversible microdynamics and thus provides a useful framework for understanding this issue. However, discussions of the MZ formalism in philosophy of physics tend to focus on simple variants rather than on the more sophisticated ones used in modern physical research. In this work, I will close this gap by studying the problems of probability and irreversibility using the example of Grabert’s time-dependent projection operator formalism. This allows to better understand how general proposals for understanding probability in statistical mechanics, namely (a) quantum approaches and (b) almost-objective probabilities, can be accomodated in the MZ formalism. Moreover, I will provide a detailed physical analysis, based on the MZ formalism, of various proposals from the philosophical literature, such as (a) Robertson’s theory of justifying coarse-graining via autonomous macrodynamics, (b) Myrvold’s problem of explaining autonomous macrodynamics, and (c) Wallace’s simple dynamical conjecture.

DOI: 10.1007/s13194-022-00466-w

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Abstract Explaining the emergence of stochastic irreversible macroscopic dynamics from time-reversible deterministic microscopic dynamics is one of the key problems in philosophy of physics. The Mori-Zwanzig (MZ) projection operator formalism, which is one of the most important methods of modern nonequilibrium statistical mechanics, allows for a systematic derivation of irreversible transport equations from reversible microdynamics and thus provides a useful framework for understanding this issue. However, discussions of the MZ formalism in philosophy of physics tend to focus on simple variants rather than on the more sophisticated ones used in modern physical research. In this work, I will close this gap by studying the problems of probability and irreversibility using the example of Grabert’s time-dependent projection operator formalism. This allows to better understand how general proposals for understanding probability in statistical mechanics, namely (a) quantum approaches and (b) almost-objective probabilities, can be accomodated in the MZ formalism. Moreover, I will provide a detailed physical analysis, based on the MZ formalism, of various proposals from the philosophical literature, such as (a) Robertson’s theory of justifying coarse-graining via autonomous macrodynamics, (b) Myrvold’s problem of explaining autonomous macrodynamics, and (c) Wallace’s simple dynamical conjecture.

The Mori-Zwanzig projection operator formalism is a powerful method for the derivation of mesoscopic and macroscopic theories based on known microscopic equations of motion. It has applications in a large number of areas including fluid mechanics, solid-state theory, spin relaxation theory, and particle physics. In its present form, however, the formalism cannot be directly applied to systems with time-dependent Hamiltonians. Such systems are relevant in many scenarios such as driven soft matter or nuclear magnetic resonance. In this article we derive a generalization of the present Mori-Zwanzig formalism that is able to treat also time-dependent Hamiltonians. The extended formalism can be applied to classical and quantum systems, close to and far from thermodynamic equilibrium, and even in the case of explicitly-time-dependent observables. Moreover, we develop a variety of approximation techniques that enhance the practical applicability of our formalism. Generalizations and approximations are developed for both equations of motion and correlation functions. Our formalism is demonstrated for the important case of spin relaxation in a time-dependent external magnetic field. The Bloch equations are derived together with microscopic expressions for the relaxation times.

We consider the relationship of the dual Lanczos transformation method, introduced in paper I, to the projection operator methods of Mori and Zwanzig for treating relaxation processes. It is shown that Mori’s memory function formalism and ‘‘generalized’’ Langevin description of relaxation processes represents a special case in the reversible limit of the ‘‘global’’ dual Lanczos transformation method. Unlike Mori’s memory function formalism, the present results are not limited to the description of autocorrelation functions for reversible systems. Our results apply to auto- and cross-correlation functions, as well as, the ensemble average of observables for both reversible and irreversible systems. In fact, we are able to construct a continued fraction representation of both auto- and cross-correlation functions. Introducing a ‘‘bath’’ dual Lanczos transformation scheme, we show that the first bath dual Lanczos projection gives rise to the Zwanzig projection operator method for constructing an equation of motion for a reduced distribution function. Additional bath dual Lanczos projections allow us to go beyond the usual results obtained in applications of the Zwanzig method.

We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion to circumvent the difficulty of projected dynamics, we obtain a self-consistent equation for the memory kernel which requires only knowledge of normally evolved auxiliary kernels. To illustrate the properties of the current approach, we focus on the spin-boson model and limit our attention to the use of a simple and inexpensive quasi-classical dynamics, given by the Ehrenfest method, for the calculation of the auxiliary kernels. For the first time, we provide a detailed analysis of the dependence of the properties of the memory kernels obtained via different projection operators, namely, the thermal (Redfield-type) and population based (NIBA-type) projection operators. We further elucidate the conditions that lead to short-lived memory kernels and the regions of parameter space to which this program is best suited. Via a thorough analysis of the different closures available for the auxiliary kernels and the convergence properties of the self-consistently extracted memory kernel, we identify the mechanisms whereby the current approach leads to a significant improvement over the direct usage of standard semi- and quasi-classical dynamics.

In this paper we are interested in studying coarse graining in field theories using the language of quantum open systems. Motivated by the ideas of Hu and Calzetta on correlation histories we employ the Zwanzig projection technique to obtain evolution equations for relevant observables in self-interacting scalar field theories. Our coarse-graining operation consists in concentrating solely on the evolution of the correlation functions of degree less than

n,

a treatment which corresponds to the familiar truncation of the BBKGY hierarchy at the

n

th level. We derive the equations governing the evolution of mean-field and two-point functions thus identifying the terms corresponding to dissipation and noise. We discuss possible applications of our formalism, the emergence of classical behavior, and the connection to the decoherent histories framework.

One of the key objectives in the study of time in physics is to understand the emergence of macroscopic irreversibility from microscopic reversible dynamics. Prigogine proposed a worldview based on the probabilistic picture, in which irreversibility appears as a fundamental property of the dynamical system itself. This idea was formulated through the use of the complex spectral representation. On the other hand, contemporary physics in the study of isolated quantum systems with a small number of degrees of freedom explains irreversibility from the trajectory picture by using the concept of typicality. This paper reviews Prigogine's theory of irreversibility and compares it with the concept of typicality. By placing Prigogine's approach at the center, it provides a conceptual overview of how irreversibility is treated in physics, focusing on the contrast between probabilistic and trajectory pictures.