相关论文: On ergodicity for multi-dimensional harmonic oscil…
Let $H(q,p) = \frac12 | p |^2 + V(q)$ be an $n$-degree of freedom $C^r$ mechanical Hamiltonian on the cotangent bundle of the $n$-torus where $r>2n+2$. When the metric $| * |$ is flat, the Nos\'e-thermostated system associated to $H$ is…
A new configurational temperature thermostat suitable for molecules with holonomic constraints is derived. This thermostat has a simple set of motion equations, can generate the canonical ensemble in both position and momentum space, acts…
We present a deterministic algorithm called contact density dynamics that generates any prescribed target distribution in the physical phase space. Akin to the famous model of Nos\'e-Hoover, our algorithm is based on a non-Hamiltonian…
Nos\'e and Hoover's 1984 work showed that although Nos\'e and Nos\'e-Hoover dynamics were both consistent with Gibbs' canonical distribution neither dynamics, when applied to the harmonic oscillator, provided Gibbs' Gaussian distribution.…
A thermostat of the Nose-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should make it suitable for use in Dissipative…
The time reversibility characteristic of Hamiltonian mechanics has long been extended to nonHamiltonian dynamical systems modeling nonequilibrium steady states with feedback-based thermostats and ergostats. Typical solutions are…
In this work we present a calculation of the hamiltonian variables solving the molecular dynamics equations of motion for a system of nuclear matter relevant to the description of nuclear pasta. The temperature is kept fixed by using the…
We propose a novel type of ergostats and thermostats for molecular dynamics simulations. A general class of active particle swarm models is considered, where any specific total energy (alternatively any specific temperature) can be provided…
We study the problem of a potential interaction of a finite-dimensional Lagrangian system (an oscillator) with a linear infinite-dimensional one (a thermostat). In spite of the energy preservation and the Lagrangian (Hamiltonian) nature of…
We introduce a global thermostat on Kac's 1D model for the velocities of particles in a space-homogeneous gas subjected to binary collisions, also interacting with a (local) Maxwellian thermostat. The global thermostat rescales the…
In mixed quantum-classical simulations of molecule-metal surface interactions, the discretization of the metallic electronic continuum typically results in a closed-system representation that fails to capture the open-system nature of the…
We study ergodicity breaking in the clean Bose-Hubbard chain for small hopping strength. We see the existence of a non-ergodic regime by means of indicators as the half-chain entanglement entropy of the eigenstates, the average level…
We revisit a two-temperature Nos\'e-Hoover wanderer particle embedded in a two-dimensional periodic 2x2 cell with four smooth repulsive corners at $(x,y) = (\pm 1, \pm 1)$ to explore chaos with anisotropic thermostatting. The model employs…
We revisit the dynamics of the one-dimensional self-gravitating sheets models. We show that homogeneous and non-homogeneous states have different ergodic properties. The former is non-ergodic and the one-particle distribution function has a…
This work presents the mathematical modeling and numerical investigation of a thermo-controlled Micro-Electro-Mechanical System (MEMS) obtained by coupling an HP memristor with mechanical and electrical resonators. Using the linear drift HP…
In this paper, we examine the thermodynamic behavior of a quantum harmonic oscillator with a position-dependent mass (PDM), where spatial inhomogeneity is modeled through a deformation parameter {\alpha}. Based on the exact energy spectrum,…
A fundamental challenge is to understand nonequilibrium statistical mechanics starting from microscopic chaos in the equations of motion of a many-particle system. In this review we summarize recent theoretical advances along these lines.…
For a harmonic oscillator, Nos\'e's single-thermostat approach to simulating Gibbs' canonical ensemble with dynamics samples only a small fraction of the phase space. Nos\'e's approach has been improved in a series of three steps: [ 1 ]…
We investigate a solvable model for energy conserving non-equilibrium steady states. The time-reversal asymmetry of the dynamics leads to the violation of detailed balance and to ergodicity breaking, as manifested by the presence of…
In their seminal work, Fermi, Pasta, Ulam and Tsingou explored the connection between statistical mechanics and dynamical properties, such as chaos and ergodicity. Even today, seventy years later, the topic is not fully understood: while…