A131 非平衡流における SiH_4 解離反応の分子動力学解析

概要

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The computational research has given a great contribution to the various materical processes. However, the approaches generally have been limited to the fixed resolution of time and spaces. Recently we have developed the new method based on the multi-scale analysis that connects the thermofluid phenomena from the electron energy distribution to the macroscopic properties such as temperature and density. This multi-scale modeling is extended to the gas-phase reaction here and the collision induced dissociation of SiH_4 is analyzed in this study. As the first step of the research, the existent classical Si-H potential model is employed. The potential model proposed by M. V. Murty reproduces all the vibrational mode of SiH_4. The result of the classical molecular dynamics calculation shows that the initial internal energy plays an important role on SiH_4 dissociation.
一般社団法人日本機械学会の論文
2003-11-10