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 The Strategy Planning Process by Christopher Race
Cover of the book Human Factors und Patientensicherheit in der Akutmedizin by Christopher Race
Cover of the book Be Beryllium by Christopher Race
Cover of the book Functional Kinetics by Christopher Race
Cover of the book Clinical Gastrointestinal Endoscopy by Christopher Race
Cover of the book The Economics of Immigration by Christopher Race
Cover of the book Magnetothermal Properties near Quantum Criticality in the Itinerant Metamagnet Sr3Ru2O7 by Christopher Race
Cover of the book Molecular Diagnostics for Dermatology by Christopher Race
Cover of the book Understanding the Earth System by Christopher Race
Cover of the book Polyolefins: 50 years after Ziegler and Natta II by Christopher Race
Cover of the book Natural Production of Organohalogen Compounds by Christopher Race
Cover of the book JIMD Reports - Case and Research Reports, 2011/2 by Christopher Race
Cover of the book Large-Scale Perturbations of Magnetohydrodynamic Regimes by Christopher Race
Cover of the book Laser Cancer Research by Christopher Race
Cover of the book Human Malignancies 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