Fotopoulos Fotis, Vasileios;
O'Hern, Corey S;
Shluger, Alexander L;
(2023)
Molecular Dynamics Simulations of the Thermal Evolution of Voids in Cu Bulk and Grain Boundaries.
In: The Minerals, Metals & Materials Society, (ed.)
TMS 2023 152nd Annual Meeting & Exhibition Supplemental Proceedings.
(pp. pp. 1001-1010).
Springer: Cham, Switzerland.
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Abstract
The formation of voids in fcc metals is thought to result from the accumulation of vacancies, although the exact mechanisms underlying their formation, stabilization, and evolution remain unknown. Due to the stabilizing effect of H on voids, H embrittlement is regarded as a primary cause of self-induced voiding (SIV). In the present study, we looked into how voids evolve/decay in the bulk and at the grain boundaries of Cu during thermal annealing molecular dynamics simulations up to 800 K. At temperatures above 500 K, voids of up to 100 vacancies were found to totally dissolve. H was shown to have a stabilizing effect in the voids, with voids withstanding temperatures close to 750 K without dissociating. This was observed both in the bulk and at grain boundaries.
| Type: | Proceedings paper |
|---|---|
| Title: | Molecular Dynamics Simulations of the Thermal Evolution of Voids in Cu Bulk and Grain Boundaries |
| Event: | TMS 2023 152nd Annual Meeting & Exhibition |
| ISBN-13: | 978-3-031-22523-9 |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1007/978-3-031-22524-6_93 |
| Publisher version: | https://doi.org/10.1007/978-3-031-22524-6_93 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10166417 |
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