Local electronic excitations by slow light ions in tungsten
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866914639010332672 |
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| author | Ponomareva, Evgeniia Pitthan, Eduardo Holeňák, Radek Shams-Latifi, Jila Kiely, Glen Pádraig Primetzhofer, Daniel Sand, Andrea |
| author_facet | Ponomareva, Evgeniia Pitthan, Eduardo Holeňák, Radek Shams-Latifi, Jila Kiely, Glen Pádraig Primetzhofer, Daniel Sand, Andrea |
| contents | Accurately predicting the electronic energy deposition of ions in materials is an important challenge in both fundamental and applied research. While employing ab initio simulations to investigate electronic stopping of ions in matter holds promise, its combined use with experimental measurements paves the way for obtaining reliable data. In this paper, we present a collaborative study using real-time time-dependent density functional theory and experimental methods to determine the electronic stopping power of hydrogen and helium ions in tungsten, a primary candidate material for future nuclear fusion devices. While calculated stopping powers in hyperchanneling trajectories are significantly lower than the experimental data, off-center and random geometries demonstrate a better agreement. We show that the deviation from velocity proportionality for both projectiles traversing the hyperchanneling directions can be explained through the existence of a threshold velocity leading to the activation of semicore states. Additionally, we analyse the pseudopotential and the trajectory dependence of computed electronic energy losses. It is demonstrated that the role of including inner-shell electrons varies depending on the velocity range. While these states play a crucial role at high projectile velocities by introducing additional dissipation channels, their impact diminishes in the low-velocity range. Finally, we introduce a simple expression that links electronic energy losses in different trajectories to local electron density, and we show that utilizing this formula allows for quite accurate predictions of stopping powers around the Bragg peak. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_06198 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Local electronic excitations by slow light ions in tungsten Ponomareva, Evgeniia Pitthan, Eduardo Holeňák, Radek Shams-Latifi, Jila Kiely, Glen Pádraig Primetzhofer, Daniel Sand, Andrea Materials Science Atomic Physics Accurately predicting the electronic energy deposition of ions in materials is an important challenge in both fundamental and applied research. While employing ab initio simulations to investigate electronic stopping of ions in matter holds promise, its combined use with experimental measurements paves the way for obtaining reliable data. In this paper, we present a collaborative study using real-time time-dependent density functional theory and experimental methods to determine the electronic stopping power of hydrogen and helium ions in tungsten, a primary candidate material for future nuclear fusion devices. While calculated stopping powers in hyperchanneling trajectories are significantly lower than the experimental data, off-center and random geometries demonstrate a better agreement. We show that the deviation from velocity proportionality for both projectiles traversing the hyperchanneling directions can be explained through the existence of a threshold velocity leading to the activation of semicore states. Additionally, we analyse the pseudopotential and the trajectory dependence of computed electronic energy losses. It is demonstrated that the role of including inner-shell electrons varies depending on the velocity range. While these states play a crucial role at high projectile velocities by introducing additional dissipation channels, their impact diminishes in the low-velocity range. Finally, we introduce a simple expression that links electronic energy losses in different trajectories to local electron density, and we show that utilizing this formula allows for quite accurate predictions of stopping powers around the Bragg peak. |
| title | Local electronic excitations by slow light ions in tungsten |
| topic | Materials Science Atomic Physics |
| url | https://arxiv.org/abs/2401.06198 |