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纳米双联碳化中硬化机制:一个分子动力学研究

Hongchi Zhang¹, Yesheng Zhong¹, Xiaoliang Ma¹

¹Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin 150080, China.

Nanomaterials (Basel, Switzerland)

|September 27, 2024

概括

纳米双联碳化陶由于双边界阻碍裂传播,显示出增强的断裂性. 双边界和裂之间的角度显著影响了这种硬化效应.

科学领域:

材料科学材料科学材料科学
纳米技术纳米技术
陶工程陶工程陶工程

背景情况:

碳化物陶对轻型装甲有前途,但由于破裂性较低而受到损害.
在纳米双胞胎化碳酸中实验观察到高断裂性,但底层机制尚不清楚.

研究的目的:

通过分子动力学模拟,研究纳米双胞胎碳化的原子级硬化机制.
了解纳米级双胞胎如何影响碳化中断裂性和裂传播.

主要方法:

使用反应力场潜力的分子动力学模拟.
在原子尺度上跨越双胞胎边界的裂传播行为的分析.

主要成果:

跨越双边界的强度差异是硬化的主要原因.
双边界在遇到具有较高断裂强度的区域时,有效地阻碍了裂的传播.
最大硬化 (32.72%) 发生在双边界和裂之间的120°角度.
碳化物陶中的相位边界不会对硬化产生影响.

结论:

纳米级双胞胎显著提高碳化陶的断裂性.
优化相对于裂纹路径的双边界方向对于最大化硬化效应至关重要.
这项研究为设计用于装甲应用的先进碳化陶设计提供了洞察力,具有改进的机械性能.

关键词:

碳化物陶陶制品碳化物陶断裂的性断裂的性分子动力学分子动力学阶段边界的相位边界.双胞胎的边界是双胞胎的边界.

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