Walter Noll
Assuming a classical statistical system of point particles the fundamental equations of continuum thermomechanics (continuity equation, equation of motion, and energy equation) shall be derived exactly. The macroscopic state functions (density, velocity, stress, energy density, heat flux) are interpreted as expected values.
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We present an approximate and heuristic scheme for the derivation of continuum kinetic equations from microscopic dynamics for stochastic, interacting systems. The method consists of a mean-field type, decoupled approximation of the master equation followed by the `naive' continuum limit. The Ising model and driven diffusive systems are used as illustrations. The equations derived are in agreement with other approaches, and consequences of the microscopic dependences of coarse-grained parameters compare favorably with exact or high-temperature expansions. The method is valuable when more syste…
In a macroscopic (quantum or classical) Hamiltonian system, we prove the second law of thermodynamics in the forms of the minimum work principle and the law of entropy increase, under the assumption that the initial state is described by a general equilibrium distribution. Therefore the second law is a logical necessity once we accept equilibrium statistical mechanics.
We present a derivation of Boltzmann principle $S_{B}=k_{B}\ln \mathcal{W}$ based on classical mechanical models of thermodynamics. The argument is based on the heat theorem and can be traced back to the second half of the nineteenth century with the works of Helmholtz and Boltzmann. Despite its simplicity, this argument has remained almost unknown. We present it in a modern, self-contained and accessible form. The approach constitutes an important link between classical mechanics and statistical mechanics.
We present a formalism to derive the stochastic differential equations (SDEs) for several solid-on-solid growth models. Our formalism begins with a mapping of the microscopic dynamics of growth models onto the particle systems with reactions and diffusion. We then write the master equations for these corresponding particle systems and find the SDEs for the particle densities. Finally, by connecting the particle densities with the growth heights, we derive the SDEs for the height variables. Applying this formalism to discrete growth models, we find the Edwards-Wilkinson equation for the symmetr…
We show that within classical statistical mechanics it is possible to naturally derive power law distributions which are of Tsallis type. The only assumption is that microcanonical distributions have to be separable from of the total system energy, which is reasonable for any sensible measurement. We demonstrate that all separable distributions are parametrized by a separation constant Q which is one to one related to the q-parameter in Tsallis distributions. The power-laws obtained are formally equivalent to those obtained by maximizing Tsallis entropy under q constraints. We further ask why …
We show that within classical statistical mechanics without taking the thermodynamic limit, the most general Boltzmann factor for the canonical ensemble is a q-exponential function. The only assumption here is that microcanonical distributions have to be separable from of the total system energy, which is the prerequisite for any sensible measurement. We derive that all separable distributions are parametrized by a mathematical separation constant Q which can be related to the non-extensivity q-parameter in Tsallis distributions. We further demonstrate that nature fixes the separation constant…
Starting from the quantum mechanics for $N$ particles, we show that we can directly derive the microcanonical ensemble average of the physical quantity $A$ by using only the long time average and the equal probability assumption for the equal energy states. The system is considered to be embedded in the outer world and we describe them in terms of the density matrix method.
We present a microscopic derivation of the laws of continuum mechanics of nonideal ordered solids including dissipation, defect diffusion, and heat transport. Starting point is the classical many-body Hamiltonian. The approach relies on the Zwanzig-Mori projection operator formalism to connect microscopic fluctuations to thermodynamic derivatives and transport coefficients. Conservation laws and spontaneous symmetry breaking, implemented via Bogoliubov's inequality, determine the selection of the slow variables. Density fluctuations in reciprocal space encode the displacement field and the def…
The Liouville equation is of fundamental importance in the derivation of continuum models for physical systems which are approximated by interacting particles. However, when particles undergo instantaneous interactions such as collisions, the derivation of the Liouville equation must be adapted to exclude non-physical particle positions, and include the effect of instantaneous interactions. We present the weak formulation of the Liouville equation for interacting particles with general particle dynamics and interactions, and discuss the results using an example.
In quantum mechanics it is often required to describe in a semiclassical approximation the motion of particles moving within a given energy band. Such a representation leads to the appearance of an analogues of fictitious forces in the semiclassical equations of motion associated with the Berry curvature. The purpose of this paper is to derive systematically the kinetic Boltzmann equations displaying these effects in the case that the band is degenerate, and as such the Berry curvature is non-Abelian. We use the formalism of phase-space quantum mechanics to derive the results.
A possible quantum-mechanical origin of statistical mechanics is discussed, and microcanonical and canonical ensembles of bosons and fermions are derived from the stationary Schrödinger equation in a unified manner. The interaction Hamiltonians are constructed by the use of the discrete phase operators and the gauge-theoretical structure associated with them. It is shown how the interaction Hamiltonians stipulated by the gauge symmetry generate the specific patterns of entanglement that are desired for establishing microcanonical ensembles. A discussion is also made about the interrelation bet…
Considering the example of interacting Brownian particles we present a linear response derivation of the boundary condition for the corresponding hydrodynamic description (the diffusion equation). This requires us to identify a non-analytic structure in a microscopic relaxation kernel connected to the frequency dependent penetration length familiar for diffusive processes, and leads to a microscopic definition of the position where the hydrodynamic boundary condition has to be applied. Corrections to the hydrodynamic limit are obtained and we derive general amplitudes of spatially and temporal…
Based on quantum statistical mechanics and microscopic quantum dynamics, we prove Planck's and Kelvin's principles for macroscopic systems in a general and realistic setting. We consider a hybrid quantum system that consists of the thermodynamic system, which is initially in thermal equilibrium, and the "apparatus" which operates on the former, and assume that the whole system evolves autonomously. This provides a satisfactory derivation of the second law for macroscopic systems. Although the main body of the article is self-contained there are two supplemental notes on closely related topics,…
We obtain the Crooks and the Jarzynski non-equilibrium fluctuation relations using a direct quantum-mechanical approach for a finite system that is either isolated or coupled not too strongly to a heat bath. These results were hitherto derived mostly in the classical limit. The two main ingredients in the picture are the time-reversal symmetry and the application of the first law to the case where an agent performs work on the system. No further assumptions regarding stochastic or Markovian behavior are necessary, neither a master equation or a classical phase-space picture are required. The s…
A derivation of the Boltzmann equation from the Liouville equation by the use of the Grad limiting procedure in a finite volume is proposed. We introduce two scales of space-time: macro- and microscale and use the BBGKY hierarchy and the functional formulation of classical mechanics. According to the functional approach to mechanics, a state of a system of particles is formed from the measurements, which are rational numbers. Hence, one can speak about the accuracy of the initial probability density function in the Liouville equation. We assume that the initial data for the microscopic density…
We provide general derivations of the partial slip boundary condition from microscopic dynamics and linearized fluctuating hydrodynamics. The derivations are based on the assumption of separation of scales between microscopic behavior, such as collision of particles, and macroscopic behavior, such as relaxation of fluid to global equilibrium. The derivations lead to several statistical mechanical expressions of the slip length, which are classified into two types. The expression in the first type is given as a local transport coefficient, which is related to the linear response theory that des…
Nonequilibrium statistical mechanics close to equilibrium is a physically satisfactory theory centered on the linear response formula of Green-Kubo. This formula results from a formal first order perturbation calculation without rigorous justification. A rigorous derivation of Fourier's law for heat conduction from the laws of mechanics remains thus a major unsolved problem. In this note we present a deterministic mechanical model of a heat-conducting chain with nontrivial interactions, where kinetic energy fluctuations at the nodes of the chain are removed. In this model the derivation of Fou…
An equation describing the irreversible evolution of the local density of a continuous medium without involving any statistical hypotheses and assumptions is derived. The derivation is based on the smoothing of the microscopic dynamic characteristics of a many-body system, taking into account the retardation of the interactions between them. The resulting equation generalizes the classical equation of motion for fluids. Several particular cases of the resulting equation, as well as its connection with the dynamic density functional theory, are considered.
Diffusion-a measure of dynamics, and entropy-a measure of disorder in the system, are found to be intimately correlated in many systems, and the correlation is often strongly non-linear. We explore the origin of this complex dependence by studying diffusion of a point Brownian particle on a model potential energy surface characterized by ruggedness. If we assume that the ruggedness has a Gaussian distribution then for this model, one can obtain the excess entropy exactly for any dimension. By using the expression for the mean first passage time (MFPT), we present a statistical mechanical deriv…
Given are a first principles derivation and formulation of the probabilistic concepts that underly equilibrium quantum statistical mechanics. The transition to non-equilibrium probability is traversed briefly.
We present a concise derivation of Landauer's erasure principle from the postulates of statistical mechanics, along with a small number of additional but uncontroversial axioms.
Introducing the Boltzmann distribution very early in a statistical thermodynamics course (in the spirit of Feynmann) has many didactic advantages, in particular that of easily deriving the Gibbs entropy formula. In this note, a short derivation is proposed from the fundamental postulate of statistical mechanics and basics calculations accessible to undergraduate students.
Standard derivations of the functional integral in non-equilibrium quantum field theory are based on the discrete time representation. In this work we derive the non-equilibrium functional integral for non-interacting bosons and fermions using a continuum time approach by accounting for the statistical distribution through the boundary conditions and using them to evaluate the Green's function.
The derivation of macroscopic irreversible dynamics of nonequilibrium systems from microscopic equations was recently revisited from the point of view of infinitely extended quantum systems. Here we have briefly reviewed the $C^*$ algebra and its application to equilibrium systems as well as introduced some recent results on NESS. In addition, we have demonstrated the derivation of Landauer formula rigorously for quadratic systems but using a more physical presentation.
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