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...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριος συγγραφέας: Race, Christopher (Συγγραφέας)
Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
Γλώσσα:English
Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2011.
Σειρά:Springer Theses, Recognizing Outstanding Ph.D. Research,
Θέματα:
Διαθέσιμο Online:Full Text via HEAL-Link
Πίνακας περιεχομένων:
  • 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.