The effects of incident energetic particles,and the modification of materials under irradiation,are governed by the mechanisms of energy losses of ions in matter.The complex processes affecting projectiles spanning ma...The effects of incident energetic particles,and the modification of materials under irradiation,are governed by the mechanisms of energy losses of ions in matter.The complex processes affecting projectiles spanning many orders of magnitude in energy depend on both ion and electron interactions.Developing multi-scale modeling methods that correctly capture the relevant processes is crucial for predicting radiation effects in diverse conditions.In this work,we obtain channeling ion ranges for tungsten,a prototypical heavy ion,by explicitly simulating ion trajectories with a method that takes into account both the nuclear and the electronic stopping power.The electronic stopping power of self-ion irradiated tungsten is obtained from first-principles timedependent density functional theory(TDDFT).Although the TDDFT calculations predict a lower stopping power than SRIM by a factor of three,our result shows very good agreement in a direct comparison with ion range experiments.These results demonstrate the validity of the TDDFT method for determining electronic energy losses of heavy projectiles,and in turn its viability for the study of radiation damage.展开更多
基金A.E.S.acknowledges support from the Academy of Finland through project no.311472R.U.is grateful to Emilio Artacho for his guidance and support+2 种基金Work by R.U.and by A.A.C.was performed under the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory under Contract no.DE-AC52-07NA27344 with computing time awarded by the Lawrence Livermore National Laboratory Computing Grand Challenge programR.U.acknowledges financial support from MINECO-Spain through Plan Nacional Grant nos.FIS2012-37549 and FIS2015-64886Formación de Personal Investigador(FPI)PhD Fellowship Grant no.BES-2013-063728.
文摘The effects of incident energetic particles,and the modification of materials under irradiation,are governed by the mechanisms of energy losses of ions in matter.The complex processes affecting projectiles spanning many orders of magnitude in energy depend on both ion and electron interactions.Developing multi-scale modeling methods that correctly capture the relevant processes is crucial for predicting radiation effects in diverse conditions.In this work,we obtain channeling ion ranges for tungsten,a prototypical heavy ion,by explicitly simulating ion trajectories with a method that takes into account both the nuclear and the electronic stopping power.The electronic stopping power of self-ion irradiated tungsten is obtained from first-principles timedependent density functional theory(TDDFT).Although the TDDFT calculations predict a lower stopping power than SRIM by a factor of three,our result shows very good agreement in a direct comparison with ion range experiments.These results demonstrate the validity of the TDDFT method for determining electronic energy losses of heavy projectiles,and in turn its viability for the study of radiation damage.
