Shear strength and sliding behavior of Ni/Al2O3 interfaces: a first-principle study
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- Shear strength and sliding behavior of Ni/Al2O3 interfaces: a first-principle study
- 发表刊物：
- Journal of Materials Research
- 摘要：
- First-principle calculations are performed to investigate the mechanical shear strength and sliding characteristic of Ni(111)/α-Al2O3(0001) interfaces. Two types of interface models are considered, i.e. Al-terminated O-site and O-terminated Al-site models. Mechanical properties such as theoretical shear strength, unstable stacking energy and critical displacement are examined. It is found that the shear deformation of the Ni/Al2O3 interfaces take place by a process of successive breaking and rebonding of the Al-O bonds near the Al2 or Al3 atom inside the α-Al2O3 block accompanying the sliding of Ni atomic layer, and finally the Ni/Al2O3 interfaces fail between the Ni atomic layer. Relatively, the Al-O interface possesses a superior shear resistance than the O-Al interface. In addition, the mechanical shear strength and tensile strength are discussed, together with the potential usage of these theoretical results that could offer in fabricating actual TBC systems and in analyzing their mechanical response.
- 合写作者：
- Xiancong Guo, Fulin Shang
- 卷号：
- 27(9)
- 页面范围：
- 1237-1244
- 是否译文：
- 否
- 发表时间：
- 2012-05-14