Time-Dependent Density Functional Theory Simulation for Analyzing Neutralization Process of Hydrogen Ion Injected onto Tungsten Surfaces
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866917711930458112 |
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| author | Toda, Yuto Takayama, Arimichi Ito, Atsushi M. |
| author_facet | Toda, Yuto Takayama, Arimichi Ito, Atsushi M. |
| contents | We have performed time-dependent density functional theory simulations for the neutralization process of a hydrogen ion injected at 100eV onto the (110) surface of tungsten material. We have also proposed a method for evaluating the detection probability of electrons in a small region. This probability is interpreted as that of detecting hydrogen in each state: positive ion, neutral atom, and negative ion. As a result, the probabilities of detecting hydrogen after a collision as a positive ion, neutral atom, and negative ion were approximately 30 percent, 50 percent, and 20 percent, respectively. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2407_02849 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Time-Dependent Density Functional Theory Simulation for Analyzing Neutralization Process of Hydrogen Ion Injected onto Tungsten Surfaces Toda, Yuto Takayama, Arimichi Ito, Atsushi M. Chemical Physics Plasma Physics We have performed time-dependent density functional theory simulations for the neutralization process of a hydrogen ion injected at 100eV onto the (110) surface of tungsten material. We have also proposed a method for evaluating the detection probability of electrons in a small region. This probability is interpreted as that of detecting hydrogen in each state: positive ion, neutral atom, and negative ion. As a result, the probabilities of detecting hydrogen after a collision as a positive ion, neutral atom, and negative ion were approximately 30 percent, 50 percent, and 20 percent, respectively. |
| title | Time-Dependent Density Functional Theory Simulation for Analyzing Neutralization Process of Hydrogen Ion Injected onto Tungsten Surfaces |
| topic | Chemical Physics Plasma Physics |
| url | https://arxiv.org/abs/2407.02849 |