title: Inelastic electron injection in a water chain.
abstract: Irradiation of biological matter triggers a cascade of secondary particles that interact with their surroundings, resulting in damage. Low-energy electrons are one of the main secondary species and electron-phonon interaction plays a fundamental role in their dynamics. We have developed a method to capture the electron-phonon inelastic energy exchange in real time and have used it to inject electrons into a simple system that models a biological environment, a water chain. We simulated both an incoming electron pulse and a steady stream of electrons and found that electrons with energies just outside bands of excited molecular states can enter the chain through phonon emission or absorption. Furthermore, this phonon-assisted dynamical behaviour shows great sensitivity to the vibrational temperature, highlighting a crucial controlling factor for the injection and propagation of electrons in water.
authors.affiliation: Atomistic Simulation Centre, Queen's University Belfast, Belfast, BT7 1NN, Northern Ireland, United Kingdom.
authors.forename: Valerio
authors.initials: V
authors.lastname: Rizzi
authors.affiliation: Atomistic Simulation Centre, Queen's University Belfast, Belfast, BT7 1NN, Northern Ireland, United Kingdom.
authors.forename: Tchavdar N
authors.initials: TN
authors.lastname: Todorov
authors.affiliation: Atomistic Simulation Centre, Queen's University Belfast, Belfast, BT7 1NN, Northern Ireland, United Kingdom.
authors.forename: Jorge J
authors.initials: JJ
authors.lastname: Kohanoff