Related papers: Dynamical approach to the microcanonical ensemble
We describe some general results that constrain the dynamical fluctuations that can occur in non-equilibrium steady states, with a focus on molecular dynamics. That is, we consider Hamiltonian systems, coupled to external heat baths, and…
It is a long-standing challenge to accurately and efficiently compute thermodynamic quantities of many-body systems at thermal equilibrium. The conventional methods, e.g., Markov chain Monte Carlo, require many steps to equilibrate. The…
The characterization of Hamiltonians and other components of open quantum dynamical systems plays a crucial role in quantum computing and other applications. Scientific machine learning techniques have been applied to this problem in a…
Thermodynamics can be formulated in either of two approaches, the phenomenological approach, which refers to the macroscopic properties of systems, and the statistical approach, which describes systems in terms of their microscopic…
We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular dynamics simulations of noble, molecular and metallic liquids and provide the direct evidence that liquid energy and specific heat are…
We consider a harmonic oscillator under periodic driving and coupled to two harmonic-oscillator heat baths at different temperatures. We use the thermofield transformation with chain mapping for this setup, which allows us to study the…
We show that the kinetic approach to statistical mechanics permits an elegant and efficient treatment of fractional exclusion statistics. By using the exclusion-inclusion principle recently proposed [Phys. Rev. E49, 5103 (1994)] as a…
A simple procedure is presented to study the conservation of energy equation with dissipation in continuum mechanics in 1D. This procedure is used to transform this nonlinear evolution-diffusion equation into a hyperbolic PDE; specifically,…
Fluid dynamics accompanies with the entropy production thus increases the local temperature, which plays an important role in charged systems such as the ion channel in biological environment and electrodiffusion in capacitors/batteries. In…
The Thermodynamic Formalism provides a rigorous mathematical framework to study quantitative and qualitative aspects of dynamical systems. At its core there is a variational principle corresponding, in its simplest form, to the Maximum…
It is often difficult to quantitatively determine if a new molecular simulation algorithm or software properly implements sampling of the desired thermodynamic ensemble. We present some simple statistical analysis procedures to allow…
The state of a thermodynamic system being characterized by its set of extensive variables $q^{i}(i=1,...,n) ,$ we write the associated intensive variables $\gamma_{i},$ the partial derivatives of the entropy $ S(q^{1},...,q^{n}) \equiv…
The role of the algebraic method has long been understood in shedding light on the topological structure of sets. However, when the set is a simplicial complex and host to a dynamical process, in particular the trajectory of a canonically…
Considerable research has led to ergodic isothermal dynamics which can replicate Gibbs' canonical distribution for simple ( small ) dynamical problems. Adding one or two thermostat forces to the Hamiltonian motion equations can give an…
We derive the dynamics of several rigid bodies of arbitrary shape in a 2-dimensional inviscid and incompressible fluid, whose vorticity field is given by point vortices. We adopt the idea of Vankerschaver et al. (2009) to derive the…
We consider a system weakly interacting with a bath as a thermodynamic setting to establish a quantum foundation of statistical physics. It is shown that even if the composite system is initially in an arbitrary nonequilibrium pure quantum…
The thermodynamic properties such as the specific heat are uniquely determined by the second moments of the energy distribution for a given ensemble averaging. However for small particle numbers the results depend on the ensemble chosen. We…
A generalized entropy arising in the context of superstatistics is obtained for an ideal gas. The curvature scalar associated to the thermodynamic space generated by this modified entropy is calculated using two formalisms of the geometric…
We consider the thermodynamic approach to the description of economic systems and processes. The first and second laws of thermodynamics as applied to economic systems are derived and analyzed. It is shown that there is a deep analogy…
The theory of small-system thermodynamics was originally developed to extend the laws of thermodynamics to length scales of nanometers. Here we review this "nanothermodynamics," and stress how it also applies to large systems that subdivide…