相关论文: Design, development and validation of electron ion…
Two theory-driven models of electron ionization cross sections, the Binary-Encounter-Bethe model and the Deutsch-M\"ark model, have been design and implemented; they are intended to extend the simulation capabilities of the Geant4 toolkit.…
Two models for the calculation of ionization cross sections by electron impact on atoms, the Binary-Encouter-Bethe and the Deutsch-Maerk models, have been implemented; they are intended to extend and improve Geant4 simulation capabilities…
Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed. The new modified BEB (MBEB) and its…
The original binary-encounter Bethe model of Kim and Eugene Rudd (1994 Phys. Rev. A 50 3954-67) has proven to be an accurate analytical representation of total impact ionisation cross sections of electrons colliding with atoms and…
Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…
An extension of the analytical model of Talukder et al (Int. J. Mass Spectrom. 269 (2008) 118) is proposed to estimate electron impact single L- and M-shell ionization cross sections of atoms with incident energy from threshold to…
The purpose of this work is to extend the Geant4-DNA Monte Carlo toolkit to include electron interactions with the four DNA bases using a set of cross sections recently implemented in Geant-DNA CPA100 models and available for liquid water.…
A comprehensive compilation of experimental K-shell ionization cross sections induced by electron impact has been assembled, including results up to December 2024. The data are organized according to the target atomic number and to the…
We use an independent electron model with semi-classical approximation to electron dynamics to investigate differential cross sections for electron emission in fast collisions of protons with ammonia molecules. An effective potential model…
Geant4-based simulations of the energy deposited by electrons in various materials are quantitatively compared to high precision calorimetric measurements taken at Sandia Laboratories. The experimental data concern electron beams of energy…
Distribution of a two component electrolyte mixture between the model adsorbent and a bulk aqueous electrolyte solution was studied using the replica Ornstein-Zernike theory and the grand canonical Monte Carlo method. The electrolyte…
Despite their importance in a wide variety of applications, the estimation of ionization cross sections for large molecules continues to present challenges for both experiment and theory. Machine learning algorithms have been shown to be an…
We have compiled a set of electron-impact multiple ionization (EIMI) cross sections for astrophysically relevant ions. EIMI can have a significant effect on the ionization balance of non-equilibrium plasmas. For example, it can be important…
Accurate cross section data for electron impact ionization (EII) are needed in order to interpret the spectra of collisionally ionized plasmas both in astrophysics and in the laboratory. Models and spectroscopic diagnostics of such plasmas…
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…
A simple modification of the semiempirical model of Shevelko et al (J. Phys. B: At. Mol. Opt. Phys. 38, 525 (2005)) is proposed for the calculation of electron impact double ionization cross section of He^0, Li^(0,1+), B^(1+), C^(1+,3+),…
Electrochemical energy storage always involves the capacitive process. The prevailing electrode model used in the molecular simulation of polarizable electrode-electrolyte systems is the Siepmann-Sprik model developed for perfect metal…
We review recent ab initio molecular dynamics studies of electrode/electrolyte interfaces in lithium ion batteries. Our goals are to introduce experimentalists to simulation techniques applicable to models which are arguably most faithful…
Aims. Determination of K- and L-shell cross sections of the carbon atom and ions using the modified relativistic binary encounter Bethe (MRBEB) method, a simple analytical scheme based on one atomic parameter that allows determining…
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…