English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

Modelling the inelastic scattering of electrons in water is fundamental,given their crucial role in biological damage. In Monte Carlo track-structurecodes used to assess biological damage, the energy loss function, from whichcross sections are extracted, is derived from different semi-empirical opticalmodels. Only recently, first ab-initio results for the energy loss function andcross-sections in water became available. For benchmarking purpose, in thiswork, we present ab-initio linear-response time-dependent density functionaltheory calculations of the energy loss function of liquid water. We calculatedthe inelastic scattering cross sections, inelastic mean free paths, andelectronic stopping powers and compared our results with recent calculationsand experimental data showing a good agreement. In addition, we provide anin-depth analysis of the contributions of different molecular orbitals,species, and orbital angular momenta to the total energy loss function.Moreover, we present single-differential cross sections computed for eachmolecular orbital channel, which should prove useful for Monte-Carlotrack-structure simulations.

royal society open science

Inelastic scattering of electrons in water from first principles: cross  sections and inelastic mean free path for use in Monte Carlo track-structure  simulations of biological damage