keV particle bombardment of solids: molecular dynamics simulations and beyond

Dan N. Bernardo, Reena Bhatia, Barbara Jane Garrison

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The bombardment of solids with keV atoms or ions leads to rather violent collisions with subsequent ejection of target particles. This review discusses computational aspects of molecular dynamics simulations designed to describe this process, and presents studies in which the calculations have played an important role in understanding the details of the bombardment and ejection processes at the atomic level. The molecular dynamics simulations in conjunction with comparable experiments allow this process to be used as a measure of surface structure. Recently experiments were performed that measured the energy and angular distributions of particles ejected in two electronic states. We have accordingly incorporated a simple electronic excitation/de-excitation model into the simulation and shown that collisional events are important to describe the measured distributions.

Original languageEnglish (US)
Pages (from-to)259-273
Number of pages15
JournalComputer Physics Communications
Volume80
Issue number1-3
DOIs
StatePublished - Jan 1 1994

Fingerprint

Molecular dynamics
bombardment
molecular dynamics
ejection
Angular distribution
Computer simulation
Electronic states
Surface structure
simulation
Experiments
electronics
Atoms
excitation
energy distribution
Ions
angular distribution
collisions
atoms
ions

All Science Journal Classification (ASJC) codes

  • Hardware and Architecture
  • Physics and Astronomy(all)

Cite this

Bernardo, Dan N. ; Bhatia, Reena ; Garrison, Barbara Jane. / keV particle bombardment of solids : molecular dynamics simulations and beyond. In: Computer Physics Communications. 1994 ; Vol. 80, No. 1-3. pp. 259-273.
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keV particle bombardment of solids : molecular dynamics simulations and beyond. / Bernardo, Dan N.; Bhatia, Reena; Garrison, Barbara Jane.

In: Computer Physics Communications, Vol. 80, No. 1-3, 01.01.1994, p. 259-273.

Research output: Contribution to journalArticle

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