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

上海大学学报(自然科学版) ›› 2016, Vol. 22 ›› Issue (6): 691-700.doi: 10.3969/j.issn.1007-2861.2015.04.005

• 材料科学与工程 • 下一篇

基于石墨微晶表面模型的热解碳沉积过程Monte Carlo模拟

刘柄林1, 马骁1, 房金铭2, 汤哲鹏1, 李爱军1, 孙晋良1

1. 上海大学复合材料研究中心, 上海 200072;
2. 航天材料及工艺研究所先进功能复合材料技术国防科技重点实验室, 北京 100076

收稿日期:2015-03-18 出版日期:2016-12-30 发布日期:2016-12-30
通讯作者: 李爱军(1975—), 男, 教授, 博士生导师, 博士, 研究方向为复合材料建模及数值模拟等. E-mail: aijun.li@shu.edu.cn
作者简介:李爱军(1975—), 男, 教授, 博士生导师, 博士, 研究方向为复合材料建模及数值模拟等. E-mail: aijun.li@shu.edu.cn
基金资助:
国家重大基础研究发展计划(973计划)资助项目(61318403); 航空科学基金资助项目(2013ZFS6001); 上海市科委资助项目(13521101202)

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

摘要/Abstract

摘要：

以石墨微晶的基平面作为碳/碳复合材料化学气相渗透(chemical vapor infil-tration, CVI)制备工艺热解碳基体的表面模型, 基于CVI工艺中存在的Particle-Filler (P-F)热解碳沉积模型和Langmuir-Hinshelwood (L-H)模型, 利用Monte Carlo (MC)方法对热解碳基体生长中所伴随的微观织构形成过程进行了模拟, 对CVI工艺中热解碳基体织构内部的界面形成过程进行了分析. 研究结果表明, 随着气相成分组成参数R(C₆与C₂浓度比)的变化, 热解碳基体的织构形成过程曲线呈现“S”形特征变化. 线性稳定性分析结果表明, 该曲线具有双稳态分布的特征. 进一步的计算结果表明, 不同织构的热解碳双稳态转变存在一个迟滞区域, 且此区域大小明显受气相成分组成参数的影响.

关键词: Monte Carlo方法 , 迟滞 , 石墨微晶表面模型, 织构转变 , 热解碳

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

刘柄林1, 马骁1, 房金铭2, 汤哲鹏1, 李爱军1, 孙晋良1. 基于石墨微晶表面模型的热解碳沉积过程Monte Carlo模拟[J]. 上海大学学报(自然科学版), 2016, 22(6): 691-700.

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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基于石墨微晶表面模型的热解碳沉积过程Monte Carlo模拟

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

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