The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

• Main Author: Race, Christopher (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2011.
• Series: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Subjects: Physics.; Solid state physics.; Solid State Physics.; Theoretical, Mathematical and Computational Physics.

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...

Table of Contents:

• 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.