The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

Christopher Race

ISBN 10: 3642423027 / ISBN 13: 9783642423024

Published by Springer, 2014

About this Item

The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics | Christopher Race | Taschenbuch | Springer Theses | xvi | Englisch | 2014 | Springer | EAN 9783642423024 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Seller Inventory # 104984074

Bibliographic Details

• Title: The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics
• Publisher: Springer
• Publication Date: 2014
• Language: English
• ISBN 10: 3642423027
• ISBN 13: 9783642423024
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 235W x 155H x 18D millimeters 235 millimeters width by 155 millimeters height by 18 millimeters depth
• Weight: 487 grams
• Seller catalogs:
  • Bücher

About this title

Synopsis

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.

From the Back 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.