基于石墨微晶表面模型的热解碳沉积过程Monte Carlo模拟

doi:10.3969/j.issn.1007-2861.2015.04.005

Journal of Shanghai University（Natural Science Edition） ›› 2016, Vol. 22 ›› Issue (6): 691-700.doi: 10.3969/j.issn.1007-2861.2015.04.005

Monte Carlo simulation of pyrocarbon deposition process based on graphite crystallite surface model

LIU Binglin1, MA Xiao1, FANG Jinming2, TANG Zhepeng1, LI Aijun1, SUN Jinliang1

1. Research Center for Composite Materials, Shanghai University, Shanghai 200072, China;
2. National Key Laboratory of Advanced Functional Composite Materials, Aerospace Research Institute of Materials and Processing Technology, Beijing 100076, China

Received:2015-03-18 Online:2016-12-30 Published:2016-12-30

Abstract

Abstract:

The base plane of graphite crystallite was proposed as the surface model of pyrocarbon prepared in chemical vapor infil-tration (CVI) processes. The Particle-Filler(P-F) model and Langmuir-Hinshelwood (L-H) mechanism of CVI processes were applied to simulate the texture formation in the process of pyrocarbon growth using the Monte Carlo (MC) method, and the process of textural interface formation was studied. The results showed that the texture formation mechanism of pyrocarbon deposition presented an S-shape curve with bi-stability transition by variation of the ration of C₆ species to C₂species in the gas phase. Moreover, there was a hysteresis in the bi-stability transition of pyrocarbon textures, and the hysteresis was clearly influenced by the composition of the gas-phase species.

Key words: graphite crystallite surface model, hysteresis , Monte Carlo (MC) method , texture transition , pyrocarbon

LIU Binglin1, MA Xiao1, FANG Jinming2, TANG Zhepeng1, LI Aijun1, SUN Jinliang1. Monte Carlo simulation of pyrocarbon deposition process based on graphite crystallite surface model[J]. Journal of Shanghai University（Natural Science Edition）, 2016, 22(6): 691-700.

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Monte Carlo simulation of pyrocarbon deposition process based on graphite crystallite surface model

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