Atomic picture of crack propagation in Li2O‐2SiO2 glass‐ceramics revealed by molecular dynamics simulations,Journal of the American Ceramic Society

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Atomic picture of crack propagation in Li2O‐2SiO2 glass‐ceramics revealed by molecular dynamics simulations
Journal of the American Ceramic Society ( IF 3.5 ) Pub Date : 2020-05-02 , DOI: 10.1111/jace.17183
Binghui Deng ₁ , Jason T. Harris ₁ , Jian Luo ₂

Affiliation

Fundamental understanding of the interaction between glass and ceramic phases with a running crack and the mechanisms by which propagation is hindered or altered as compared to the precursor parent glasses remains elusive for the lithium disilicate glass‐ceramics. We herein conduct extensive molecular dynamics simulations to reveal some atomic details that are otherwise extremely challenging to be probed by experiments. The results show that the crack propagation pathway in glass‐ceramics is dramatically different as compared to the precursor parent glass. In glassy sample, clean crack branching seems to be triggered by multiple cavitation events ahead of crack tip. In glass‐ceramic samples, however, branching is characterized by microcracks at multiple glass‐nanocrystal interface sites, clean nanocrystal cleavage along certain crystalline plane, and even secondary cracks due to the percolation of multiple microcracks. Additionally, the nanocrystal distribution, total volume fraction, and aspect ratio also have pronounced effects on the propagation of a primary crack and can lead to very diverse crack patterns.

中文翻译：

分子动力学模拟显示Li2O-2SiO2玻璃陶瓷中裂纹扩展的原子图

对于二硅酸锂玻璃陶瓷，基本了解玻璃和陶瓷相之间存在相互作用的裂纹，以及与前驱母玻璃相比传播受阻或改变的机理，仍然难以理解。我们在这里进行了广泛的分子动力学模拟，以揭示一些原子细节，否则这些原子细节极难被实验探测。结果表明，与前体母体玻璃相比，玻璃陶瓷中的裂纹扩展路径有很大不同。在玻璃状样品中，干净的裂纹分支似乎是由裂纹尖端之前的多个空化事件触发的。但是，在玻璃陶瓷样品中，支化的特征是在多个玻璃纳米晶体界面位点有微裂纹，沿着某些晶面的纳米晶裂解清晰，甚至由于多个微裂纹的渗漏而产生的次级裂纹。另外，纳米晶体的分布，总体积分数和长宽比对初生裂纹的扩展也有明显的影响，并且可以导致非常多样的裂纹模式。

更新日期：2020-06-27

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