硅酸盐学报

SiBNC体系陶瓷的材料计算研究进展

作者：崔永杰刘勇彭帅韩克清余木火

单位：(纤维材料改性国家重点实验室东华大学材料科学与工程学院上海 201620)

分类号：TQ174.1

出版年,卷(期):页码：2019,47(3):0-0

DOI：

摘要：

SiBNC体系陶瓷具有优异的高温稳定性以及抗氧化性能，是硅基高性能陶瓷领域的研究热点。然而由于其具有非晶的微观结构特征，极大的限制了SiBNC体系陶瓷性能的设计、调控以及稳定化制备。近年来，第一性原理和分子动力学方法被报道用来计算研究SiBNC体系陶瓷性能与微观结构的相关性，取得大量实用的研究成果，综述了SiBNC体系陶瓷的材料计算研究进展。

SiBNC ceramics exhibit superior high-temperature stability and oxidation resistance. Recent work focus on the investigation of silicon-based high-performance ceramics. However, the performance design, modulation, and stabilized preparation of SiBNC ceramics are restricted due to the amorphous microstructure. The first principles and molecular dynamics methods are used to investigate the correlation between physical properties and microstructures of SiBNC ceramics, and obtain the corresponding results. This review represents recent development on the materials computation of SiBNC ceramics.

基金项目：

国家自然科学基金(51703025)资助。

作者简介：

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