甲烷在Ni（111）面上散射经典轨迹计算的能量耗散和散射角分布分析
Energy dissipation and scattering angle distribution analysis of the classical trajectory calculations of methane scattering from a Ni(111) surface
摘要：
本文采用经典轨线方法计算了非刚性甲烷分子在Ni（111）表面的转动振动散射。能量耗散和散射角作为平移动能，入射角，（旋转）喷嘴温度，和表面温度的函数进行了研究。在96 kJ/mol的平移能量下，对于30、45和60度的入射角，散射角稍微朝向表面。能量损失主要来自平移能的法向分量。它的一半以上转移到表面，其余的大部分转移到旋转运动。平移能变化的扩展以向转动能的转移的扩展为基础，并且可以通过向表面运动的转移过程提高表面温度来增强。
英文摘要：
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.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
