Related papers: Heat flux for semi-local machine-learning potentia…
We propose a data-driven approach for constructing machine-learning interatomic potentials (MLIPs) trained under a regularization with the aim of avoiding nonphysical heat flux. Specifically, we introduce a regularization term for the heat…
We have computed the charge and heat transport coefficients of hot QCD matter by solving the relativistic Boltzmann transport equation using the BGK model approximation with a modified collision integral in the weak magnetic field regime.…
From the change in kinetic energy induced by an external field, we discuss the applicable conditions for the Mott-Davis and Moseley-Lukes form of the Kubo-Greenwood formula (KGF) for the electrical conductivity which has been implemented in…
Electron heat flux is an important and often dominant mechanism of energy transport in a variety of collisional plasmas in a confined fusion or astrophysical context. While nonlocal conductive heat transport, driven by strong temperature…
Temperature gradients developed at ultra-high temperatures create a challenge for temperature measurements that are required for material processing. At ultra-high temperatures, the components of the system can react and change phases…
An important challenge in robotics is understanding the interactions between robots and deformable terrains that consist of granular material. Granular flows and their interactions with rigid bodies still pose several open questions. A…
The semiclassical approach introduced by Sachdev and collaborators proved to be extremely successful in the study of quantum quenches in massive field theories, both in homogeneous and inhomogeneous settings. While conceptually very simple,…
We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We present new results for the equation of state of fluid ethane…
Gaseous thermal transpiration flows through a rectangular micro-channel are simulated by the direct simulation BGK (DSBGK) method. These flows are rarefied, within the slip and transitional flow regimes, which are beyond many traditional…
We show how to evaluate mobility profiles, characterizing the transport of confined fluids under a perturbation, from equilibrium molecular simulations. The correlation functions derived with the Green-Kubo formalism are difficult to sample…
Using molecular dynamics (MD) with classical interaction potentials we present calculations of thermal conductivity and heat transport in crystals and glasses. Inducing shock waves and heat pulses into the systems we study the spreading of…
The Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudo-atom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested…
A steady state of a granular gas with homogeneous granular temperature, no mass flow, and nonzero heat flux is studied. The state is created by applying an external position--dependent force or by enclosing the grains inside a curved…
To determine the electron heat flux density on macroscopic scales, the most widely used approach is to solve a diffusion equation through a multi-group technique. This method is however restricted to transport induced by temperature…
Understanding DC electrical conductivity is crucial for the study of materials. Macroscopic DC conductivity can be calculated from first principles using the Kubo-Greenwood equation. The procedure involves finding the thermodynamic limit of…
We discuss the general transport properties of superconducting quantum point contacts. We show how these properties can be obtained from a microscopic model using nonequilibrium Green function techniques. For the case of a one-channel…
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as solid-liquid interfaces. Here, we present a machine learning…
Currently, the most common method to calculate transport properties for materials under extreme conditions is based on the phenomenological Kubo-Greenwood method. The results of an inquiry into the justification and context of that model…
We present a unified framework to simulate heat and mass transport in systems of particles. The proposed framework is based on kinematic mean field theory and uses a phenomenological master equation to compute effective transport rates…
We discuss heat transport in a thermally-biased SQUID in the presence of an external magnetic flux, when a non-negligible inductance of the SQUID ring is taken into account. A properly sweeping driving flux causes the thermal current to…