Molecular dynamics of single-particle impacts predicts phase diagrams for large scale pattern formation

Scott A. Norris (), Juha Samela, Laura Bukonte, Marie Backman, Flyura Djurabekova, Kai Nordlund, Charbel S. Madi, Michael P. Brenner and Michael J. Aziz ()
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Scott A. Norris: Southern Methodist University
Juha Samela: FIN-0014 University of Helsinki
Laura Bukonte: FIN-0014 University of Helsinki
Marie Backman: FIN-0014 University of Helsinki
Flyura Djurabekova: FIN-0014 University of Helsinki
Kai Nordlund: FIN-0014 University of Helsinki
Charbel S. Madi: Harvard School of Engineering and Applied Sciences
Michael P. Brenner: Harvard School of Engineering and Applied Sciences
Michael J. Aziz: Harvard School of Engineering and Applied Sciences

Nature Communications, 2011, vol. 2, issue 1, 1-6

Abstract: Abstract Energetic particle irradiation can cause surface ultra-smoothening, self-organized nanoscale pattern formation or degradation of the structural integrity of nuclear reactor components. A fundamental understanding of the mechanisms governing the selection among these outcomes has been elusive. Here we predict the mechanism governing the transition from pattern formation to flatness using only parameter-free molecular dynamics simulations of single-ion impacts as input into a multiscale analysis, obtaining good agreement with experiment. Our results overturn the paradigm attributing these phenomena to the removal of target atoms via sputter erosion: the mechanism dominating both stability and instability is the impact-induced redistribution of target atoms that are not sputtered away, with erosive effects being essentially irrelevant. We discuss the potential implications for the formation of a mysterious nanoscale topography, leading to surface degradation, of tungsten plasma-facing fusion reactor walls. Consideration of impact-induced redistribution processes may lead to a new design criterion for stability under irradiation.

Date: 2011
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:2:y:2011:i:1:d:10.1038_ncomms1280

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DOI: 10.1038/ncomms1280

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