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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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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.
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (eng)
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Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics : Doctoral Thesis Accepted by Imperial College, London, Uk
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses) [Hardcover] [Jan 07, 2011] Race, Christopher
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Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics : Doctoral Thesis Accepted by Imperial College, London, Uk
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics
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Springer Berlin Heidelberg, Springer Berlin Heidelberg Jan 2011, 2011
ISBN 10: 3642154387
ISBN 13: 9783642154386
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Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 320 pp. Englisch. Seller Inventory # 9783642154386
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The Modelling of Radiation Damage in Metals using Ehrenfest Dynamics
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Gebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. - Opens up a new chapter in the simulation of irradiation damage of metals- Give important new insights into the frictional effects of electrons- Nominated as an outstanding contribution by Imperial College LondonAtomistic simulations of metals under ir. Seller Inventory # 5050825
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics (Springer Theses)
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics
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Buch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - 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. Seller Inventory # 9783642154386
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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics
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