Molecular dynamics studies of the primary state of radiation damage

T. Diaz De La Rubia, R. S. Averback, R. Benedek, I. M. Robertson

Research output: Contribution to journalArticlepeer-review


This paper summarizes recent progress in the understanding of energetic displacement cascades in metals achieved with the molecular-dynamics (MD) simulation technique. Recoil events with primary-knock-on-atom (PKA) energies up to 5 keV were simulated in Cu and Ni. The initial development of displacement cascades was similar in both metals, with replacement collision sequences providing the most efficient mechanism for the separation of interstitials and vacancies. The thermal-spike behavior in these metals, however, is quite different; Cu cascades are characterized by lower defect production and greater atomic disordering than those in Ni. The thermal spike significantly influences various other properties of cascades, such as total defect production and defect clustering.

Original languageEnglish (US)
Pages (from-to)39-52
Number of pages14
JournalRadiation Effects and Defects in Solids
Issue number1-3
StatePublished - Mar 1 1990


  • atomic mixing
  • cascade collapse
  • defect production cascades
  • molecular dynamics simulation
  • radiation damage
  • thermal spike

ASJC Scopus subject areas

  • Radiation
  • Nuclear and High Energy Physics
  • General Materials Science
  • Condensed Matter Physics


Dive into the research topics of 'Molecular dynamics studies of the primary state of radiation damage'. Together they form a unique fingerprint.

Cite this