Related papers: Inclusion and validation of electronic stopping in…
We investigate the energy loss characteristics of warm dense matter (WDM) and dense plasmas concentrating on the influence of electronic correlations. The basis for our analysis is a recently developed ab initio Quantum Monte-Carlo (QMC)…
In ion irradiation processes, electronic stopping power describes the energy transfer rate from the irradiating ion to the target material's electrons. Due to the scarcity and significant uncertainties in experimental electronic stopping…
Swift electrons passing near or through metallic structures have proven to be an excellent tool for studying plasmons and other types of confined optical modes involving collective charge oscillations in the materials hybridized with…
It was recently proposed that the stress state of a material can also be altered via electron or hole doping, a concept termed electronic stress (ES), which is different from the traditional mechanical stress (MS) due to lattice contraction…
We investigate Lorentz- and CPT-violating effects in neutron and storage-ring electric dipole moment (EDM) experiments within the framework of the Standard-Model Extension (SME). For neutron EDM experiments, perturbation theory is applied…
We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and…
We study the electron-energy loss spectra of strongly correlated electronic systems doped away from half-filling using dynamical mean-field theory ($d=\infty$). The formalism can be used to study the loss spectra in the optical (${\bf…
The shock induced mixing of two gases separated by a perturbed interface is investigated through Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS). In a simulation, physical dissipation of the velocity field and species mass…
We present an \emph{Effective Static Approximation} (ESA) to the local field correction (LFC) of the electron gas that enables highly accurate calculations of electronic properties like the dynamic structure factor $S(q,\omega)$, the static…
Classical molecular-dynamics simulations (CMDS) have been conducted to investigate the non-Maxwellian behavior of a weakly coupled plasma submitted to the inverse bremsstrahlung heating of laser irradiation. It is the so called Langdon…
Relativistic runaway electrons are a major concern in tokamaks. The European framework for Integrated Modelling (EU-IM), facilitates the integration of different plasma simulation tools by providing a standard data structure for…
Electron energy-loss spectroscopy (EELS) and cathodoluminescence (CL) are widely used experimental techniques for characterization of nanoparticles. The discrete dipole approximation (DDA) is a numerically exact method for simulating…
A crucial aspect in the simulation of electrochemical interfaces consists in treating the distribution of electronic charge of electrode materials that are put in contact with an electrolyte solution. Recently, it has been shown how a…
Radiation damage to the steel material of reactor pressure vessels is a major threat to the nuclear reactor safety. It is caused by the metal atom cascade collision, initialized when the atoms are struck by a high-energy neutron. The paper…
The lack of long-range electrostatics is a key limitation of modern machine learning interatomic potentials (MLIPs), hindering reliable applications to interfaces, charge-transfer reactions, polar and ionic materials, and biomolecules. In…
The development of machine-learning (ML) potentials offers significant accuracy improvements compared to molecular mechanics (MM) because of the inclusion of quantum-mechanical effects in molecular interactions. However, ML simulations are…
Electronic energy loss of hydrogen ions in HfO2 was investigated in a wide energy range in the medium and low energy ion scattering regime. Experiments by Time-Of-Flight Medium-Energy Ion Scattering (TOF-MEIS) with proton and deuteron…
Machine learning interatomic potentials (MLIPs) enable large-scale atomistic simulations but remain challenged in describing mixed-valence materials where charge ordering strongly influences thermodynamic stability. Here we investigate the…
Over the last two decades, Electron Energy Loss Spectroscopy (EELS) imaging with a scanning transmission electron microscope (STEM) has emerged as a technique of choice for visualizing complex chemical, electronic, plasmonic, and phononic…
The frictional force (stopping power) acting on a test electron moving through the ideal electron gas is calculated taking into account electron-neutral atom collisions using the linear plasma response formalism. This allows us to elucidate…