TY - JOUR
T1 - Construction of collision model of diatomic molecules (1st report, The MD simulation of molecular collision)
AU - Matsumoto, Yoichiro
AU - Tokumasu, Takashi
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 1996
Y1 - 1996
N2 - At present, the DSMC method is the best scheme to analyze rarefied gas flows. However, polyatomic inelastic collisions which have complicated energy transfer between translational and internal degree of freedom cannot be analyzed accurately. In this paper, a model for energy exchange between translational and rotational degrees of freedom is constructed using the results of MD simulation. In this 1st report, we describe how to simulate the collision of diatomic molecules by the MD method and the results of the simulation. We find that the energy transfer is distributed without a characteristic relation to the direction and orientation of the rotational vector, and that both the energy transfer and collisional cross section strongly depend on the initial translational and rotational energy.
AB - At present, the DSMC method is the best scheme to analyze rarefied gas flows. However, polyatomic inelastic collisions which have complicated energy transfer between translational and internal degree of freedom cannot be analyzed accurately. In this paper, a model for energy exchange between translational and rotational degrees of freedom is constructed using the results of MD simulation. In this 1st report, we describe how to simulate the collision of diatomic molecules by the MD method and the results of the simulation. We find that the energy transfer is distributed without a characteristic relation to the direction and orientation of the rotational vector, and that both the energy transfer and collisional cross section strongly depend on the initial translational and rotational energy.
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U2 - 10.1299/kikaib.62.864
DO - 10.1299/kikaib.62.864
M3 - Article
AN - SCOPUS:0030102372
VL - 62
SP - 864
EP - 871
JO - Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B
JF - Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B
SN - 0387-5016
IS - 595
ER -