Téléchargez le livre : The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics



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Éditeur :

Springer


Collection :

Springer Theses

Paru le : 2011-01-04



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Description
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 channeling 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.
Pages
303 pages
Collection
Springer Theses
Parution
2011-01-04
Marque
Springer
EAN papier
9783642154386
EAN EPUB
9783642154393
Informations sur l'ebook
Nombre pages copiables
3
Nombre pages imprimables
30
Taille du fichier
5427 Ko
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Prix
94,94 €

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