相关论文: Configurational Temperature Control for Atomic and…

We define a thermostatic system to be a convex space of states together with a concave function sending each state to its entropy, which is an extended real number. This definition applies to classical thermodynamics, classical statistical…

We show that systems driven by an external force and described by Nose-Hoover dynamics allow for a consistent nonequilibrium thermodynamics description when the thermostatted variable is initially assumed in a state of canonical…

We study the dynamics of an ensemble of non-interacting harmonic oscillators in a nonlinear dissipative environment described by the Nos\'e - Hoover model. Using numerical simulation we find the histogram for total energy, which agrees with…

We propose a new mechanism that enables heat flow from a colder region to a hotter region without necessitating either particle transport or external work on the conductor, thereby bypassing the compressor part of a classical heat pump…

Molecular dynamics simulations of a quasi-harmonic solid are conducted to elucidate the meaning of temperature fluctuations in canonical systems and validate a well-known but frequently contested equation predicting the mean square of such…

We apply a variant of the Nose-Hoover thermostat to derive the Hamiltonian of a nonextensive system that is compatible with the canonical ensemble of the generalized thermostatistics of Tsallis. This microdynamical approach provides a…

We present a rigorous approach that leads, from a many-particle description, to a nonlinear, stochastic constitutive relation for the modeling of transient heat conduction processes at nanoscale. By enforcing statistical consistency, in…

Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…

We show that, in general, any complex weakly nonlinear highly multimode system can reach thermodynamic equilibrium that is characterized by a unique temperature and chemical potential. The conditions leading to either positive or negative…

A theoretical proposal that Coulomb-coupled quantum dots can be used as quantum probes to determine the temperature of a sample (i.e., an electronic reservoir) is proposed. Through the regulation of the positive or negative voltage bias in…

We investigate the relation between the phase space structure of Hamiltonian and non-Hamiltonian deterministic thermostats. We show that phase space structures governing reaction dynamics in Hamiltonian systems map to the same type of phase…

We present a simple kinematic model of a non-equilibrium steady state device, which can operate either as a heat engine or as a refrigerator. The model is composed of two or more scattering channels where the motion is fully described by…

We discuss the use of a Langevin equation with a colored (correlated) noise to perform constant-temperature molecular dynamics simulations. Since the equations of motion are linear in nature, it is easy to predict the response of a…

A systematic comparison was carried out to assess the influence of representative thermostat methods in constant-temperature molecular dynamics simulations. The thermostat schemes considered include the Nos\'e--Hoover thermostat and its…

We investigate, how finite temperature influences quantum coherence in multipartite open systems by analyzing a tripartite spin boson model subjected to non-Markovian dephasing. Two distinct environmental configurations are considered viz.…

Molecules like water have vibrational modes with a zero-point energy well above room temperature. As a consequence, classical molecular dynamics simulations of their liquids largely underestimate the energy of modes with a higher zero-point…

Novel physical mechanism is proposed for explanation of temperature-independent transition reactions in molecular systems. The mechanism becomes effective in the case of conformation transitions between quasi-isoenergetic molecular states.…

A model for the thermodynamics of a quantum heat bath is introduced. Under the assumption that the bath molecules have finitely many degrees of freedom and are weakly interacting, we present a general derivation of the equation of state of…

The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…

In [5], we have designed impulsive and feedback controls for harmonic chains with a point thermostat. In this work, we study the internal control for stochastic lattice dynamics, with the goal of controlling the transition kernel of the…