EFFECTS OF ANHARMONICITY AND MASS FACTOR ON MOLECULAR VIBRATIONAL RELAXATION OF DIATOMICS IN CONDENSED STATE
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摘要: 利用分子动力学计算机模拟方法研究了稠密流体中双原子分子的振动弛豫问题，证实了双原产分子的振动弛豫速率随着其非谐性的增大而加快，同时，其速率也随其质量因子的变大而加速。Abstract: In this note,we investigate the effects of anharmonicity and mass for diatomicmolecular vibrational relaxation in condensed fluid by computer simulation. We have shownthat the rates of vibrational relaxation increase with the increase of anharmonicity and massfactor. This is in agreement with the data from experiment.
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Key words:
- molecular dynamics /
- condensed state /
- nonharmonic effect /
- mass factor
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