Related papers: Ionisation Models for Nano-Scale Simulation
Modelling the ionic transport in battery cells requires precise parametrization of the involved electrolytes. For carbonate-based electrolytes, however, the evaluation of their parameters suffers from interphase effects between the bulk…
In carbon-therapy, the interaction of the incoming beam with human tissues may lead to the production of a large amount of nuclear fragments and secondary light particles. An accurate estimation of the biological dose deposited into the…
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…
Net ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We use the recently introduced…
We report on the commissioning of a fast electron-energy scan system for measurements of electron-impact ionization cross sections. The Giessen crossed-beams experiment employs a high-power electron gun which has been developed over recent…
We present a model for the ion distribution near a charged surface, based on the response of the ions to the presence of a single test particle. Near an infinite planar surface this model produces the exact density profile in the limits of…
A new strongly correlated electron model is presented. This is formed by two types of sites: one where double occupancy is forbidden, as in the t-J model, and the other where double occupancy is allowed but vacancy is not allowed, as an…
We present a model of non-ionizing scattering of electrons on atomic ensemble in matter, applicable in a wide electron energy range from ~eV up to relativistic ones. The approach based on the dynamic-structure factor formalism considers…
We present an open-source code for the simulation of electron and ion transport for user-defined gas mixtures with static uniform electric and magnetic fields. The program provides microscopic interaction simulation and is interfaced with…
(Abridged) Electron-molecule interaction is a fundamental process in radiation-driven chemistry in space, from the interstellar medium to comets. Therefore, knowledge of interaction cross-sections is key. While there has been a plethora of…
Atomistic simulations of electrochemical interfaces remain challenging due to the long time scales required to adequately sample the structure of the electric double layer. The emergence of efficient, short-range machine learning…
A physical model based on a Monte-Carlo approach is proposed to calculate the ionization dynam- ics of warm dense matters (WDM) within particle-in-cell simulations, and where the impact (col- lision) ionization (CI), electron-ion…
Calculations are performed for electron collision with the methylene molecular ion CH$_2^+$ in its bent equilibrium geometry, with the goal to obtain cross sections for electron impact excitation and dissociation. The polyatomic version of…
The construction of modern detectors used in high-energy physics experiments is typically guided by modeling with the Geant4 toolkit to evaluate detector performance in terms of geometrical acceptance and detection efficiency. Several…
An ab initio calculation of atomic ionization of germanium (Ge) by neutrinos was carried out in the framework of multiconfiguration relativistic random phase approximation. The main goal is to provide a more accurate cross section formula…
Biomedical applications of plasmonic nanoparticle conjugates need control over their optical properties modulated by surface coating with stabilizing or targeting molecules often attached to or embedded in the secondary functionalization…
A statistical-type model is developed to describe the ion production and electron emission in collisions of (molecular) ions with atoms. The model is based on the Boltzmann population of the bound electronic energy levels of the quasi…
A proposal is made by the University College of London Group [1] for measuring the target-ionization cross sections in Ps and atom scattering. We calculate the corresponding theoretical data for Ps-H and Ps-He systems including the effect…
We present a simulation method to study electrolyte solutions in a dielectric slab geometry using a modified 3D Ewald summation. The method is fast and easy to implement, allowing us to rapidly resum an infinite series of image charges. In…
Calculations have been made for the double differential cross section (DDCS) for the ionization of metastable hydrogen atoms in the 3S state by electron and positron impact at energies of 150 eV and 250 eV. The authors implemented the…