相关论文: Kinetic Energy-Based Temperature Computation in No…
Kinetic equations are analyzed for thermal degradation of polymers. The governing relations are based on the fragmentation-annihilation concept. Explicit solutions to these equations are derived in two particular cases of interest. For…
We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and…
This paper suggests using the configurational temperature $\Tc$ for quantifying how far an active-matter system is from thermal equilibrium. We measure this ``distance'' by the ratio of the systemic temperature $\Ts$ to $\Tc$, where $\Ts$…
Temperature dependence of the thermal rate constants and kinetic isotope effects (KIE) of the CN + C2H6 gas-phase hydrogen abstraction reaction was theoretically determined within the 25-1000 K temperature range, i.e., from ultra-low to…
In the derivation of the thermodynamics of overdamped systems, one ignores the kinetic energy contribution, since the velocity is a slow variable. In this paper, we show that the kinetic energy needs to be present in the calculation of the…
The earliest molecular dynamics simulations relied on solving the Newtonian or equivalently the Hamiltonian equations of motion for a system. While pedagogically very important as the total energy is preserved in these simulations, they…
We present a general expression for the values of the average kinetic energy and of the temperature of kinetic decoupling of a WIMP, valid for any cosmological model. We show an example of the usage of our solution when the Hubble rate has…
Temperature is usually defined for physical systems at thermal equilibrium. Nevertheless one may wonder if it would be possible to attribute a meaningful notion of temperature to an arbitrary quantum state, beyond simply the thermal (Gibbs)…
A collisional model of a confined quasi-two-dimensional granular mixture is considered to analyze homogeneous steady states. The model includes an effective mechanism to transfer the kinetic energy injected by vibration in the vertical…
The dynamics of active particles is of interest at many levels and is the focus of theoretical and experimental research. There have been many attempts to describe the dynamics of particles affected by random active forces in terms of an…
Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…
The time sequences of the molecular dynamics simulation for the folding process of a protein is analyzed with the inherent structure landscape which focuses on configurational dynamics of the system. Time dependent energy and entropy for…
A study of the correlation between nuclear temperatures and symmetry energy is presented for heavy-ion collisions at intermediate energies via the isospin-dependent quantum molecular-dynamics model. It is found that different symmetry…
An expression for the energetic efficiency of a molecular motor is presented in terms of an effective temperature, which was defined based on the ratio of the correlation function to the susceptibility of its velocity. We also present a…
The use of excessively long timesteps in dissipative particle dynamics simulations may produce simulation artifacts due to the generation of configurations which are not representative of the desired canonical ensemble. The configurational…
The concept of temperature is one of the key ideas in describing the thermodynamical properties of a physical system. In classical statistical mechanics of ideal gases, the notion of temperature can be described in two different ways, the…
We present three different neural network algorithms to calculate thermodynamic properties as well as dynamic correlation functions at finite temperatures for quantum lattice models. The first method is based on purification, which allows…
We extend on ideas from standard thermodynamics to show that temperature can be assigned to a general nonequilibrium quantum system. By choosing a physically motivated complete set of observables and expanding the system state thereupon,…
We probe, using a model system, elastic and kinetic energies for sheared granular materials. For large enough $P/E_y$ (pressure/Young's modulus) and $P/\rho v^2$ ($P/$kinetic energy density) elastic dominates kinetic energy, and energy…
The main objective of this paper is to show that, within the present framework of the kinetic theoretical approach to irreversible thermodynamics, there is no evidence that provides a basis to modify the ordinary Fourier equation relating…