分子动力学研究超稳定结构和混合化键在高缩CoCrFeNi异构无形碳膜中的演化
Yefei Zhou1,2, Ming Ding1, Xinyue Niu1
1School of Mechanical Engineering, Yanshan University, Qinhuangdao 066004, China.
Langmuir : the ACS journal of surfaces and colloids
|August 16, 2024
概括
在有CoCrFeNi球的无形碳 (a-C) 薄膜中进行异质注,可以改善塑料变形. 然而,增加的补充剂含量降低了硬度和弹性模量,同时抑制了sp2-C到sp3-C的过渡.
科学领域:
- 材料科学 材料科学 材料科学
- 纳米技术纳米技术
- 计算材料科学科学 计算材料科学
背景情况:
- 众所周知,在无形碳 (a-C) 薄膜中使用异质元素剂可以减少残余应力并增强塑料变形.
- 在变形过程中,多潘特度和大小对sp2-C到sp3-C转移稳定的过渡机制的精确影响仍然在实验上难以观察和理解.
研究的目的:
- 在纳米缩过程中研究无形CoCrFeNi球状合碳异构薄膜的机械性能和结构演变.
- 阐明多潘特含量和大小对a-C薄膜的变形机制和相位过渡的影响.
主要方法:
- 在 amorphous CoCrFeNi 球形合碳异构薄膜上进行纳米沉积的模拟,具有不同的合半径.
- 分析机械性质 (硬度,弹性模量) 和结构演变,重点关注sp2-C/sp3-C过渡.
主要成果:
- 硬度 (H) 从50.69降至28.94 GPa,弹性模量 (E) 从664.39降至448.62 GPa,随着添加剂的增加.
- 观察到改善的塑料变形能力,以减少弹性回收和扩大剪切过渡区域为标志.
- 补充剂降低了局部应力和剪切应力,抑制了sp2-C到sp3-C转移的转移.
结论:
- 无形的CoCrFeNi注显著提高了a-C薄膜的塑性变形能力.
- 补充剂的大小和含量影响机械性能和潜在的变形机制.
- 这些发现为设计用于高负荷和高变形率应用的a-C薄膜提供了理论基础.
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