Related papers: Modelling of warm dense hydrogen via explicit real…
Progress in understanding multi-scale collisionless plasma phenomena requires employing tools which balance computational efficiency and physics fidelity. Collisionless fluid models are able to resolve spatio-temporal scales that are…
Dynamic equations are presented for polar binary mixtures containing ions in the presence of the preferential solvation. In one-phase states, we calculate the dynamic structure factor of the composition accounting for the ion motions.…
Dielectric elastomers (DEs) are a type of multifunctional materials with salient features that are very attractive in developing soft, lightweight, and small-scale transducers and robotics. This paper reviews the mechanics of soft DE…
Global deep-learning weather prediction models have recently been shown to produce forecasts that rival those from physics-based models run at operational centers. It is unclear whether these models have encoded atmospheric dynamics, or…
We derive the dynamics of magnetohydrodynamic waves in two-fluid partially ionized plasmas and to compare the results with those obtained under single-fluid description. Two-fluid magnetohydrodynamic equations are used, where ion-electron…
We perform extensive molecular dynamics simulations of dense liquids composed of bidisperse dimer- and ellipse-shaped particles in 2D that interact via repulsive contact forces. We measure the structural relaxation times obtained from the…
We propose a simple and accurate model for the electron static structure factors (and corresponding pair-correlation functions) of the 3D unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a…
In this paper, the ionization and recombination coefficients of dense semiclassical hydrogen plasma on the basis of the effective interaction potential have been investigated. For this goal the Bohr$-$Lindhard method and method phase…
A new formulation for the modular construction of flexible multibody systems is presented. By rearranging the equations for a flexible floating body and introducing the appropriate canonical momenta, the model is recast into a coupled…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
We present new efficient (O(N log N)) methods for computing three quantities crucial to electronic structure calculations: the ionic potential, the electron-ion contribution to the Born-Oppenheimer forces, and the electron-ion contribution…
We propose and compare different strategies to construct dynamic density functional theories (DDFTs) for inhomogeneous polymer systems close to equilibrium from microscopic simulation trajectories. We focus on the systematic construction of…
We perform all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of oxygen. Our simulations cover a wide density-temperature range of…
Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50…
Warm dense matter (WDM) has emerged as one of the frontiers of both experimental and theoretical physics and is challenging traditional concepts of plasma, atomic, and condensed-matter physics. While it has become common practice to model…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…
We propose a hydrodynamic model to study the thermotransport properties of semiconductor electrons. From the semiclassical Boltzmann equation a set of balance equations is built for the relevant fields. The electron density, the electron…
A model of dense plasmas relying on the superconfiguration approximation is presented. In each superconfiguration the nucleus is totally screened by the electrons in a Wigner-Seitz sphere (ion-sphere model). Superconfigurations of the same…
We present a model which describes proton scattering data from ISR to Tevatron energies, and which can be applied to collimation n high energy accelerators, such as the LHC and FCC. Collimators remove beam halo particles, so that they do…
We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…