Quantum Dynamical and isotopic effects for Hydrogen isotopes scattering at W(110) surface
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arXiv
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| Autori principali: | , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2026
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| _version_ | 1866917316251353088 |
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| author | Bombín, Raúl Galparsoro, Oihana Peláez, Daniel Tremblay, Jean Christophe Crespos, Cédric Larregaray, Pascal |
| author_facet | Bombín, Raúl Galparsoro, Oihana Peláez, Daniel Tremblay, Jean Christophe Crespos, Cédric Larregaray, Pascal |
| contents | We investigate the scattering of hydrogen isotopes at the W(110) surface using both classical and quantum dynamics approaches to elucidate the role of quantum effects in this system. To characterize the scattering process we focus on key observables, including the absorption probability and diffraction channels that we evaluate at the quasi-classical and quantum levels. The quantum dynamics reveal pronounced resonance structures in the absorption curve that we rationalize in terms of diffraction-mediated selective adsorption and focused sticking mechanisms. Diffraction probabilities for reflected trajectories exhibit strong quantum effects at low incident energies, where classical dynamics underestimate the back scattering probability. These effects become less pronounced with increasing isotope mass, from hydrogen to tritium, however discrepancies between the classical and quantum description persist at low incident energies. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_05426 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Quantum Dynamical and isotopic effects for Hydrogen isotopes scattering at W(110) surface Bombín, Raúl Galparsoro, Oihana Peláez, Daniel Tremblay, Jean Christophe Crespos, Cédric Larregaray, Pascal Chemical Physics We investigate the scattering of hydrogen isotopes at the W(110) surface using both classical and quantum dynamics approaches to elucidate the role of quantum effects in this system. To characterize the scattering process we focus on key observables, including the absorption probability and diffraction channels that we evaluate at the quasi-classical and quantum levels. The quantum dynamics reveal pronounced resonance structures in the absorption curve that we rationalize in terms of diffraction-mediated selective adsorption and focused sticking mechanisms. Diffraction probabilities for reflected trajectories exhibit strong quantum effects at low incident energies, where classical dynamics underestimate the back scattering probability. These effects become less pronounced with increasing isotope mass, from hydrogen to tritium, however discrepancies between the classical and quantum description persist at low incident energies. |
| title | Quantum Dynamical and isotopic effects for Hydrogen isotopes scattering at W(110) surface |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2603.05426 |