脆性的结构原因 变化在不同的冷却速率的酸玻璃中
Liqiang Zheng1, Shimin Liu1, Fushun Ji2
1State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
Materials (Basel, Switzerland)
|April 13, 2024
概括
冷却速度通过改变中距离结构和空隙体积,显著影响玻璃的脆性. 这些变化影响了网络连接和氧含量,影响了玻璃对压力的反应.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 计算材料科学科学 计算材料科学
背景情况:
- 众所周知,不同的回火率会影响玻璃的性能,例如性和脆性.
- 了解这些性质变化背后的微结构机制对于材料设计至关重要.
研究的目的:
- 研究通过冷却速度影响酸玻璃脆性的微观结构机制.
- 阐明短距离和中距离结构的作用,以及玻璃柔性中的空体积.
主要方法:
- 用分子动力学 (MD) 模拟来模拟不同冷却速率下的酸玻璃.
- 在受控条件下,对准备好的玻璃微结构进行了单轴拉伸模拟.
主要成果:
- 冷却速度对中距离结构和空隙体积的影响比对短距离结构的影响更大.
- 中距离结构和空隙体积通过影响网络连接和氧物种 (桥接氧 (BO) 和非桥接氧 (NBO)) 直接影响玻璃脆性.
- 空隙环境决定了BO和NBO含量对应加压力的反应,影响了柔性/脆性的过渡.
结论:
- 冷却速度通过中距离结构和空隙特征的修改,对玻璃的脆性产生重大影响.
- 结构重组和空隙环境之间的相互作用决定了玻璃的机械行为和柔性/脆性的过渡.
- 这项研究提供了通过热处理控制玻璃性能和理解机械故障机制的基本见解.
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