相关论文: Configurational Temperature Control for Atomic and…

Equilibrating proteins and other biomacromolecules is cardinal for molecular dynamics simulation of such biological systems in which they perform free dynamics without any externally-applied mechanical constraint, until thermodynamic…

We study thermodynamic processes in contact with a heat bath that may have an arbitrary time-varying periodic temperature profile. Within the framework of stochastic thermodynamics, and for models of thermo-dynamic engines in the idealized…

Understanding heat transport is relevant to develop efficient strategies for thermal management in microelectronics for instance, as well as for fundamental science purposes. However, measuring temperatures in nanostructured environments…

This paper shows that the configurational temperature of liquid-state theory, $\Tc$, defines an energy scale, which can be used for adjusting model parameters of active Ornstein-Uhlenbeck particle (AOUP) models in order to achieve…

Although jammed granular systems are athermal, several thermodynamic-like descriptions have been proposed which make quantitative predictions about the distribution of volume and stress within a system and provide a corresponding…

Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics like work, heat and entropy production to the level of individual trajectories of well-defined…

A novel geometric formalism for statistical estimation is applied here to the canonical distribution of classical statistical mechanics. In this scheme thermodynamic states, or equivalently, statistical mechanical states, can be…

We examine the formulation and numerical treatment of dissipative particle dynamics (DPD) and momentum-conserving molecular dynamics. We show that it is possible to improve both the accuracy and the stability of DPD by employing a pairwise…

Coherent quantum oscillators are basic physical systems both in quantum statistical physics and quantum thermodynamics. Their realizations in lab often involve solid-state devices sensitive to changes in ambient temperature. We represent…

A well-established numerical technique to study the dynamics of spin systems in which symmetries and conservation laws play an important role is to microcanonically integrate their reversible equations of motion, obtaining thermalization…

Absolute temperature, the fundamental temperature scale in thermodynamics, is usually bound to be positive. Under special conditions, however, negative temperatures - where high-energy states are more occupied than low-energy states - are…

Nematic elastomers and glasses deform spontaneously when subjected to temperature changes. This property can be exploited in the design of heterogeneously patterned thin sheets that deform into a non-trivial shape when heated or cooled. In…

Kinetic temperature is a fundamental parameter in molecular clouds. Symmetric top molecules, such as NH$_3$ and CH$_3$CCH, are often used as thermometers. However, at high temperatures, NH$_3$(2,2) can be collisionally excited to…

"Pedagogical derivations for Nos\'e's dynamics can be developed in two different ways, (i) by starting with a temperature-dependent Hamiltonian in which the variable $s$ scales the time or the mass, or (ii) by requiring that the equations…

We consider the roaming mechanism for chemical reactions under the nonholonomic constraint of constant kinetic energy. Our study is carried out in the context of the Hamiltonian isokinetic thermostat applied to Chesnavich's model for an…

Controlling thermal transport at the nanoscale is vital for many applications. Previously, it has been shown that this control can be achieved with periodically nanostructured two-dimensional phononic crystals, for the case of suspended…

Stochastic thermostats based on the Langevin equation, in which a system is coupled to an external heat bath, are popular methods for temperature control in molecular dynamics simulations due to their ergodicity and their ease of…

The homogeneous state of a binary mixture of smooth inelastic hard disks or spheres is analyzed. The mixture is driven by a thermostat composed by two terms: a stochastic force and a drag force proportional to the particle velocity. The…

A logarithmic oscillator has the outstanding property that the expectation value of its kinetic energy is constant for all stationary states [1]. Recently the ansatz that this property can be used to define a Hamiltonian thermostat has been…

This paper is concerned with coherent quantum control design for translation invariant networks of identical quantum stochastic systems subjected to external quantum noise. The network is modelled as an open quantum harmonic oscillator and…