Time-Dependent Density Functional Theory Simulation for Analyzing Neutralization Process of Hydrogen Ion Injected onto Tungsten Surfaces

2024/07/03 by Y. Toda, Toda, Yuto, Arimichi Takayama +3
Engineering · Physics and Astronomy · #Plasma Diagnostics and Applications #Vacuum and Plasma Arcs #Ion-surface interactions and analysis

paper · pdf · doi:10.48550/arxiv.2407.02849

Abstract

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.

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