{"title":"Swift heavy ions in polyethylene: simulation of damage formation along the path","authors":"P. Babaev, R. Voronkov, A. E. Volkov","doi":"arxiv-2409.10935","DOIUrl":null,"url":null,"abstract":"We present results of atomic-level simulations of damage formation along the\npaths of swift heavy ions (SHI) decelerated in the electronic stopping regime\nin amorphous polyethylene. The applied model combines the Monte-Carlo code\nTREKIS-3, which describes excitation of the electronic and atomic systems\naround the ion trajectory, with molecular dynamics simulations of the response\nof the atomic system to the excitation. The simulation results were used to\nreconstruct the damage configuration, shape and size of the damaged region. We\ndemonstrated that the positions of the maximum energy loss and maximum damage\non the ion trajectory do not coincide, being separated by more than 10\nmicrometers. The difference between the thresholds of damage production by ions\nwith energies realizing the opposite shoulders of the Bragg curve of the\nelectronic stopping was found. We also analyzed the spatial distribution of\nchemically active fragments of polyethylene chains formed around the ion\ntrajectory as a function of SHI energy.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":"49 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Materials Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2409.10935","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
We present results of atomic-level simulations of damage formation along the
paths of swift heavy ions (SHI) decelerated in the electronic stopping regime
in amorphous polyethylene. The applied model combines the Monte-Carlo code
TREKIS-3, which describes excitation of the electronic and atomic systems
around the ion trajectory, with molecular dynamics simulations of the response
of the atomic system to the excitation. The simulation results were used to
reconstruct the damage configuration, shape and size of the damaged region. We
demonstrated that the positions of the maximum energy loss and maximum damage
on the ion trajectory do not coincide, being separated by more than 10
micrometers. The difference between the thresholds of damage production by ions
with energies realizing the opposite shoulders of the Bragg curve of the
electronic stopping was found. We also analyzed the spatial distribution of
chemically active fragments of polyethylene chains formed around the ion
trajectory as a function of SHI energy.