dorsal/arxiv
View SchemaEnergy dissipation and scattering angle distribution analysis of the classical trajectory calculations of methane scattering from a Ni(111) surface
| Authors | R. Milot, A. W. Kleyn, A. P. J. Jansen |
|---|---|
| Categories | |
| ArXiv ID | physics/0103053 |
| URL | https://arxiv.org/abs/physics/0103053 |
| DOI | 10.1063/1.1388224 |
| Journal | J. Chem. Phys. 115, 3888 (2001). |
Abstract
We present classical trajectory calculations of the rotational vibrational scattering of a non-rigid methane molecule from a Ni(111) surface. Energy dissipation and scattering angles have been studied as a function of the translational kinetic energy, the incidence angle, the (rotational) nozzle temperature, and the surface temperature. Scattering angles are somewhat towards the surface for the incidence angles of 30, 45, and 60 degree at a translational energy of 96 kJ/mol. Energy loss is primarily from the normal component of the translational energy. It is transfered for somewhat more than half to the surface and the rest is transfered mostly to rotational motion. The spread in the change of translational energy has a basis in the spread of the transfer to rotational energy, and can be enhanced by raising of the surface temperature through the transfer process to the surface motion.
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"abstract": "We present classical trajectory calculations of the rotational vibrational\nscattering of a non-rigid methane molecule from a Ni(111) surface. Energy\ndissipation and scattering angles have been studied as a function of the\ntranslational kinetic energy, the incidence angle, the (rotational) nozzle\ntemperature, and the surface temperature. Scattering angles are somewhat\ntowards the surface for the incidence angles of 30, 45, and 60 degree at a\ntranslational energy of 96 kJ/mol. Energy loss is primarily from the normal\ncomponent of the translational energy. It is transfered for somewhat more than\nhalf to the surface and the rest is transfered mostly to rotational motion. The\nspread in the change of translational energy has a basis in the spread of the\ntransfer to rotational energy, and can be enhanced by raising of the surface\ntemperature through the transfer process to the surface motion.",
"arxiv_id": "physics/0103053",
"authors": [
"R. Milot",
"A. W. Kleyn",
"A. P. J. Jansen"
],
"categories": [
"physics.chem-ph",
"physics.comp-ph"
],
"doi": "10.1063/1.1388224",
"journal_ref": "J. Chem. Phys. 115, 3888 (2001).",
"title": "Energy dissipation and scattering angle distribution analysis of the classical trajectory calculations of methane scattering from a Ni(111) surface",
"url": "https://arxiv.org/abs/physics/0103053"
},
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