Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage

Alfredo A. Correa, Jorge Kohanoff, Emilio Artacho, Daniel Sánchez-Portal, and Alfredo Caro
Phys. Rev. Lett. 108, 213201 – Published 21 May 2012; Erratum Phys. Rev. Lett. 109, 069901 (2012)


The Born-Oppenheimer approximation is the keystone for molecular dynamics simulations of radiation damage processes; however, actual materials response involves nonadiabatic energy exchange between nuclei and electrons. In this work, time dependent density functional theory is used to calculate the electronic excitations produced by energetic protons in Al. We study the influence of these electronic excitations on the interatomic forces and find that they differ substantially from the adiabatic case, revealing a nontrivial connection between electronic and nuclear stopping that is absent in the adiabatic case. These results unveil new effects in the early stages of radiation damage cascades.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 2 February 2012


© 2012 American Physical Society


Erratum: Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage [Phys. Rev. Lett. 108, 213201 (2012)]

Alfredo A. Correa, Jorge Kohanoff, Emilio Artacho, Daniel Sanchez-Portal, and Alfredo Caro
Phys. Rev. Lett. 109, 069901 (2012)

Authors & Affiliations

Alfredo A. Correa

  • Lawrence Livermore National Laboratory, Livermore, California, 94551, USA

Jorge Kohanoff

  • Department of Physics and Astronomy, Queen’s University, Belfast BT7 1NN, United Kingdom

Emilio Artacho

  • Nanogune and DIPC, Tolosa Hiribidea 76, 20018 San Sebastían, Spain
  • Basque Foundation for Science, Ikerbasque, 48011 Bilbao, Spain
  • Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom

Daniel Sánchez-Portal

  • Centro de Física de Materiales (CFM-MPC) CSIC-UPV/EHU and DIPC, Paseo Manuel de Lardizabal 5, 20018 San Sebastián, Spain

Alfredo Caro

  • Los Alamos National Laboratory, Los Alamos New Mexico 87545, USA

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand

Vol. 108, Iss. 21 — 25 May 2012

Reuse & Permissions
Access Options

Article Available via CHORUS

Download Accepted Manuscript
Heating up of Superconductors
January 27, 2017

This collection marks the 30th anniversary of the discovery of high-temperature superconductors. The papers selected highlight some of the advances that have been made to date, both in understanding why these compounds behave in the way they do, and in utilizing them in applications. The papers included in the collection have been made free to read.

APS and CERN Sign Open Access Agreement for SCOAP3

APS and CERN, the host organization of SCOAP3 (Sponsoring Consortium for Open Access Publishing in Particle Physics), have signed an agreement to make the high-energy physics (HEP) articles published in three leading APS journals open access beginning January 1, 2018. This agreement acts to support the publishing of open access content for wider benefit of the HEP community.

Authorization Required




Sign up to receive regular email alerts from Physical Review Letters

Log In



Article Lookup

Paste a citation or DOI

Enter a citation