The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics - Brossura

Race, Christopher

 
9783642423024: The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics
Brossura
ISBN 10: 3642423027 ISBN 13: 9783642423024
Casa editrice: Springer, 2014

Sinossi

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.

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Dalla quarta di copertina

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.

Le informazioni nella sezione "Su questo libro" possono far riferimento a edizioni diverse di questo titolo.

Editore
Springer
Data di pubblicazione
2014
Lingua
Inglese
ISBN 10 
3642423027
ISBN 13 
9783642423024
Rilegatura
Copertina flessibile
Numero di pagine
320
Contatto del produttore
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Darmstadt
64293
Germania

Altre edizioni note dello stesso titolo

9783642154386: The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics: Doctoral Thesis Accepted by Imperial College, London, Uk

Edizione in evidenza

ISBN 10:  3642154387 ISBN 13:  9783642154386
Casa editrice: Springer Verlag, 2011
Rilegato