Electronic excitation in atomic collision cascades

A model is presented which allows to incorporate low-energy electronic excitation into the molecular dynamics simulation of atomic collision cascades. The model treats the electronic energy loss experienced by all moving atoms as a source term in a diffusive description of the electronic excitation...

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Bibliographic Details
Published inNuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms Vol. 228; no. 1-4; pp. 325 - 329
Main Authors Duvenbeck, A., Sroubek, Z., Wucher, A.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.01.2005
Subjects
Atomic collision cascade
Kinetic excitation
MD simulation
Particle impact phenomena
71.10.Ca
MD simulation
71.10.Li
Particle impact phenomena
79.20.Ap
Atomic collision cascade
Kinetic excitation
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Summary:A model is presented which allows to incorporate low-energy electronic excitation into the molecular dynamics simulation of atomic collision cascades. The model treats the electronic energy loss experienced by all moving atoms as a source term in a diffusive description of the electronic excitation energy transport. In order to acknowledge (i) the large temperature gradients and (ii) the local lattice disorder induced by the projectile impact, the electronic heat diffusivity is allowed to vary as a function of space and time across the cascade volume.
ISSN:0168-583X
1872-9584
DOI:10.1016/j.nimb.2004.10.065