相关论文: Comparing simulated specific heat of liquid polyme…

Understanding thermal properties of materials is fundamental to technological applications and to discovering new phenomena. In particular, advances in experimental techniques such as cold-atom measurements allow the simulation of…

By means of Metropolis Monte Carlo simulations of a coarse-grained model for flexible polymers, we investigate how the integrated autocorrelation times of different energetic and structural quantities depend on the temperature. We show…

We study autocorrelation functions of energy, heat and entropy densities obtained by molecular dynamics simulations of supercritical Ar and compare them with the predictions of the hydrodynamic theory. It is shown that the predicted by the…

The evaluation of the specific heat of an open, damped quantum system is a subtle issue. One possible route is based on the thermodynamic partition function which is the ratio of the partition functions of system plus bath and of the bath…

The specific heat of the Coulomb glass is studied by numerical simulations. Both the lattice model with various strengths of disorder, and the random-position model are considered for the one- to three-dimensional cases. In order to extend…

Understanding thermodynamics in liquids at the atomic level is challenging because of strong atomic interactions and lack of symmetry. Recent prior theoretical works have focused on describing heat capacity of liquids in terms of…

Numerical methods are developed to solve the problem of abnormal changes of current (conductivity) in polymer composite films which may be used as current, pressure or temperature sensors. General nonlinear model includes the heat equation,…

Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various…

We describe a numerical scheme for exactly simulating the heat current behavior in a quantum harmonic chain with self-consistent reservoirs. Numerically-exact results are compared to classical simulations and to the quantum behavior under…

Using a time-resolved phonon absorption technique, we have measured the specific heat of a two-dimensional electron system in the fractional quantum Hall effect regime. For filling factors $\nu = 5/3, 4/3, 2/3, 3/5, 4/7, 2/5$ and 1/3 the…

We present a machine learning approach to calculating electronic specific heat capacities for a variety of benchmark molecular systems. Our models are based on data from density matrix quantum Monte Carlo, which is a stochastic method that…

The heat capacity of solids at intermediate-to-high temperatures is of fundamental importance to several fields ranging from geology to material science. It depends on a variety of factors, with anharmonicity and, ultimately, melting…

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

We investigate the thermal responses of a harmonic oscillator chain coupled at its boundaries to heat baths held at different temperatures. This setup sustains a steady energy flux, continuously dissipating heat into both reservoirs. By…

In this brief report, we attention to the system of two qubits modeled by Heisenberg XXZ chain with the Dzyaloshinskii Moriya interaction. The system exposed to bosonic baths with the Cauchy Lorentz distribution of frequency. We've got a…

We calculate the specific heat of composite fermion system in the half-filled Landau level. Two different methods are used to examine validity of the quasiparticle approximation when the two-body interaction is given by $V(q) = V_0 /…

Specific heats of quantum systems with symmetric and asymmetric double-well potentials have been calculated. In numerical calculations of their specific heats, we have adopted the combined method which takes into account not only…

The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has received scant attention in the literature, particularly for…

Quantum correlations can be used as a resource for quantum computing, eg for quantum state manipulation, and for quantum sensing, eg for creating non-classical states which allow to achieve the quantum advantage regime. This review collects…

We present a detailed study of the quantum dissipative dynamics of a charged particle in a magnetic field. Our focus of attention is the effect of dissipation on the low- and high-temperature behavior of the specific heat at constant…