The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

Nonfiction, Science & Nature, Science, Physics, Solid State Physics, Mathematical Physics
Cover of the book The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics by Christopher Race, Springer Berlin Heidelberg
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Christopher Race ISBN: 9783642154393
Publisher: Springer Berlin Heidelberg Publication: January 4, 2011
Imprint: Springer Language: English
Author: Christopher Race
ISBN: 9783642154393
Publisher: Springer Berlin Heidelberg
Publication: January 4, 2011
Imprint: Springer
Language: English

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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.

More books from Springer Berlin Heidelberg

Cover of the book Nonlinear Internal Waves in Lakes by Christopher Race
Cover of the book Skin Cleansing with Synthetic Detergents by Christopher Race
Cover of the book Ocular Infections by Christopher Race
Cover of the book Active Volcanoes of the Southwest Indian Ocean by Christopher Race
Cover of the book Offene Quantensysteme by Christopher Race
Cover of the book Pathology of Melanocytic Nevi and Melanoma by Christopher Race
Cover of the book The Neurobiology of Childhood by Christopher Race
Cover of the book Current Topics in Lung Cancer by Christopher Race
Cover of the book Experimentalphysik 4 by Christopher Race
Cover of the book Neuroendoscopy by Christopher Race
Cover of the book Introduction to Nano by Christopher Race
Cover of the book The Natural Environment and the Biogeochemical Cycles by Christopher Race
Cover of the book Hematopoietic Cell Transplantation in Children with Cancer by Christopher Race
Cover of the book Model-Based Reasoning in Science and Technology by Christopher Race
Cover of the book Konzerncontrolling by Christopher Race
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy