The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses) - Tapa dura

Race, Christopher

 
9783642154386: The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses)
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ISBN 10: 3642154387 ISBN 13: 9783642154386
Editorial: Springer, 2011

Sinopsis

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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De la contraportada

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.

"Sobre este título" puede pertenecer a otra edición de este libro.

Editorial
Springer
Año de publicación
2011
Idioma
Inglés
ISBN 10 
3642154387
ISBN 13 
9783642154386
Encuadernación
Tapa dura
Número de páginas
320
Contacto del fabricante
ProductSafety@springernature.com
ProductSafety@springernature.com

Poststr. 9
Darmstadt
64293
Alemania

Otras ediciones populares con el mismo título

9783642423024: The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses)

Edición Destacada

ISBN 10:  3642423027 ISBN 13:  9783642423024
Editorial: Springer, 2014
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