Related papers: Nuclear quantum effects in thermal conductivity fr…
The effect of long distance coherent tunneling (LDCT) on the charge and heat currents in serially coupled triple quantum dots (TQDs) connected to electrodes is illustrated by using a combination of the extended Hurbbard model and Anderson…
Fire protection mainly takes place through physical or chemical pathways or both of them. The thermal diffusivity is one of the basic thermophysical properties which can connect the chemical structure. It is well-known in the literature…
In this work, a central-moment-based discrete Boltzmann method (CDBM) is constructed for fluid flows with variable specific heat ratios. The central kinetic moments are employed to calculate the equilibrium discrete velocity distribution…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
We consider chains consisting of several identical subsystems weakly coupled by various types of next neighbor interactions. At both ends the chain is coupled to a respective heat bath with different temperature modeled by a Lindblad…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
By combining ab initio quantum mechanics calculation and Drude model, electron temperature and lattice temperature dependent electron thermal conductivity is calculated and implemented into a multiscale model of laser material interaction,…
In this contribution, we compute the $^1$H nuclear magnetic resonance (NMR) relaxation rate of liquid water at ambient conditions. We are using structural and dynamical information from Coupled Cluster Molecular Dynamics (CCMD) trajectories…
We present a new method for calculating the temperature profile in high explosive (HE) material using a Convolutional Neural Network (CNN). To train/test the CNN, we have developed a hybrid experiment/simulation method for collecting…
We calculate thermodynamic quantities in symmetric nuclear matter within the self-consistent Green's functions method including three-body forces. The thermodynamic potential is computed directly from a diagrammatic expansion, implemented…
Using nonequilibrium and equilibrium molecular dynamics simulations, we investigate heat conduction in a momentum-conserving mesoscopic fluid modeled by multiparticle collision dynamics. Across quasi-two-dimensional (q-2D) to…
Thermal and transport properties of hot nuclear matter formed in central $^{129}$Xe + $^{119}$Sn collisions at the Fermi energy are investigated using the isospin-dependent quantum molecular dynamical (IQMD) model. Temperature ($T$),…
The nonlinear electron and heat currents of quantum dot molecules (QDMs) under a temperature bias are theoretically investigated, including all correlation functions arising from electron Coulomb interactions in QDMs. Unlike the case of…
We study the optimal output power and efficiency of the three-terminal quantum heat engine with Coulomb-coupled quantum-dots (CCQD). It has been well known that in the weak coupling regime, two kinds of dominant transport mechanisms are…
We apply Thermostatted Ring Polymer Molecular Dynamics (TRPMD), a recently-proposed approximate quantum dynamics method, to the computation of thermal reaction rates. Its short-time Transition-State Theory (TST) limit is identical to…
Quantum thermodynamics is aimed at grasping thermodynamic laws as they apply to thermal machines operating in the deep quantum regime, a regime in which coherences and entanglement are expected to matter. Despite substantial progress,…
We revisit the interplay between superconductivity and quantum criticality when thermal effects from virtual static bosons are included. These contributions, which arise from an effective theory compactified on the thermal circle, strongly…
In this work we explicitly calculate the thermal conductivity for a general bidimensional dilute gas of neutral molecules by solving Boltzmann's equation. Chapman-Enskog's method is used in order to analytically obtain this transport…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
The transition from the diffuse warm neutral medium (WNM) to the dense cold neutral medium (CNM) is what set the initial conditions to the formation of molecular clouds. The properties of the turbulent cascade in the WNM, essential to…