The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses) Hardcover - 2011 - 2011th Edition
by Race, Christopher
From the rear cover
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 between atoms and electrons can have significant effects on the extent and nature of radiation damage. This thesis presents the results of time-dependent tight-binding simulations of radiation damage, in which the evolution of a coupled system of energetic classical ions and quantum mechanical electrons is correctly described. The effects of electronic excitations in collision cascades and ion channelling are explored and a new model is presented, which makes possible the accurate reproduction of non-adiabatic electronic forces in large-scale classical molecular dynamics simulations of metals.
Details
- Title The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses)
- Author Race, Christopher
- Binding Hardcover
- Edition number 2011th
- Edition 2011
- Pages 303
- Language ENG
- Publisher Springer
- Date 2011-01
- Features Illustrated, Index, Table of Contents
- ISBN 9783642154386
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses)
by Christopher Race
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics: Doctoral Thesis Accepted by Imperial College, London, Uk
by Race, Christopher Peter
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