The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

Atomistic simulations of metals under irradiation are indispensable for understanding damage processes at time- and length-scales beyond the reach of experiment. Previously, such simulations have largely ignored the effect of electronic excitations on the atomic dynamics, even though energy exchange...

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Auteur principal: Race, Christopher
Format: Livre numérique
Langue:Anglais
Publié: Berlin, Heidelberg : Springer Berlin Heidelberg [20..].
Cham : Springer Nature
Édition:1st ed. 2011.
Collection:Springer Theses, Recognizing Outstanding Ph.D. Research
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Edition sous un autre format:• The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics, Texte imprimé, 9783642154386
Table des matières:
  • Introduction A Radiation Damage Cascade Electronic Excitations in Radiation Damage a Review Theoretical Background Simulating Radiation Damage in Metals. A Framework for Simulating Radiation Damage in Metals The Single Oscillating Ion Semi-calssical Simulations of Collision Cascades The Nature of the Electronic Excitations The Electronic Forces Channelling Ions The Electronic Drag Force.-Concluding Remarks A. Selected Proofs B. Petrubation Theory C. The coupling Matrix for a Single Oscillating Ion D. Some Features of the Electronic Excitation Spectrum E. The Strain on an Inclusion due to Electronic Heating Bibliography Index