| 书目名称 | The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics |
| 编辑 | Christopher Race |
| 视频video | |
| 概述 | 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 Colle |
| 丛书名称 | Springer Theses |
| 图书封面 |  |
| 描述 | 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. |
| 出版日期 | Book 2011 |
| 关键词 | Ehrenfest dynamics; Electronic damping; Electronic excitations; Electronic forces; Electronic friction; N |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-642-15439-3 |
| isbn_softcover | 978-3-642-42302-4 |
| isbn_ebook | 978-3-642-15439-3Series ISSN 2190-5053 Series E-ISSN 2190-5061 |
| issn_series | 2190-5053 |
| copyright | Springer-Verlag Berlin Heidelberg 2011 |
发表于 2025-3-21 17:51:50
