Mechanism of Strength Enhancement of Ceramics Superlattice Coating Films and Its Application to Design of Microstructure

陶瓷超晶格镀膜强度增强机理及其在微结构设计中的应用

• 批准号: 12450059
• 负责人: SHIMADA Shoichi
• 金额: $ 7.62万
• 依托单位: Osaka University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2000
• 资助国家: 日本
• 起止时间: 2000 至 2001
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-12450059/
• 关键词: functional coating film; ceramics superlattice film; nanostructure; mechanical properties; strength enhancement; computer simulation; molecular dynamics; 機能性薄膜; セラミックス超格子; トライボマテリマル

Ceramics superlattice, which has a laminated structure of heterogeneous ceramics combination in nanometer scale, is one of the promising approaches for highly functional coating films. As a superlattice film shows remarkable enhancement in indentation hardness and wear-resistance with a specified laminating period, it is expected to be a material of coating films subjected to heavy friction. However, the mechanism of strength enhancement has not been understood well.In this research, to clarify the correlation between the microstructure and mechanical properties of ceramics superlattice and to establish the guidelines for design of highly functional ceramics coating films, molecular dynamics (MD) computer simulations of uniaxial and biaxial strength testing are carried out on TiN/AIN superlattice films with various laminating periods.Experimental results of microindentation on arc ion-plated TiN/AIN ceramics superlattice films show that the hardness increases as the laminating period d … More ecreases and that the highest hardness enhancement is observed on the film with 2.5 nm laminating period.Interatomic potential functions are proposed for ceramics with rock salt structure, such as TiN, AiN are and ZrN, by the fitting with the results of first- principle calculations. Using the interatomic potential functions, MD simulations of uni- axial and biaxial strength testing of the ceramics and superlattice films composed of the ceramics are carried out successfully.The MD simulations show that residual tensile and compressive stresses are observed in the layers of AIN and TiN, respectively, in the films with superlattice structure. The strength for fracture initiation decreases as the laminating period decreases. Under the biaxial loading, crack extension and plastic deformation occur in the layers of AIN and TiN, respectively. However, the fracture and deformation are stopped on the TiN/AIN interface. The longer the laminating period of superlattice film, the longer the crack extension. This results in the lower indentation hardness on the superlattice film with longer laminating period. The results of the MD simulations suggest that there is an optimum laminating period for highest enhancement of indentation hardness.MD simulation can be an useful tool for clear understanding in principle the correlation between miorostructure and mechanical properties and for structure design of ceramics superlattice. Less

陶瓷超晶格具有纳米级异质陶瓷组合的层状结构，是高功能涂层薄膜的有前途的方法之一。由于超晶格膜在特定的层压时间内显示出压痕硬度和耐磨性的显着增强，因此有望成为承受重摩擦的涂膜材料。然而，强度增强的机理尚未得到很好的理解。在本研究中，为了阐明陶瓷超晶格的微观结构和力学性能之间的相关性，并为高功能陶瓷涂层膜的设计建立指导原则，对不同层压的TiN/AlN超晶格薄膜进行了单轴和双轴强度测试的分子动力学（MD）计算机模拟。 电弧离子镀 TiN/AIN 陶瓷超晶格薄膜的显微压痕实验结果表明，硬度随着层压周期 d ... More 的减小而增加，并且在层压周期为 2.5 nm 的薄膜上观察到最高的硬度增强。 第一原理计算的结果。利用原子间势函数，成功地对陶瓷及由陶瓷组成的超晶格薄膜进行单轴和双轴强度测试的MD模拟。MD模拟表明，在超晶格结构薄膜中，AlN层和TiN层中分别观察到残余拉应力和残余压应力。随着层压周期的缩短，断裂起始强度降低。在双轴载荷作用下，AlN层和TiN层分别发生裂纹扩展和塑性变形。然而，断裂和变形在 TiN/AlN 界面上停止。超晶格薄膜的层压时间越长，裂纹扩展的时间越长。这导致层压周期较长的超晶格薄膜压痕硬度较低。 MD模拟的结果表明，存在一个最佳的层压周期，可以最大程度地提高压痕硬度。MD模拟可以成为从原理上清楚地理解微观结构和机械性能之间的相关性以及陶瓷超晶格的结构设计的有用工具。较少的

项目成果

S.Shimada, H.Takai, H.Tanaka, N.Ikawa: "Effect of Laminating Period of Ceramics Superlattice Coating Film on Its Mechanical Properties"Proc. 2000 ASPE Annual Meeting. 324-327 (2000)

S.Shimada，H.Takai，H.Tanaka，N.Ikawa：“陶瓷超晶格涂膜层压周期对其机械性能的影响”Proc。

S.Shimada,H.Takai,H.Tanaka,N.Ikawa: "Effect of Laminating Period of Ceramics Superlattice Coating Film on Its Mechanical Properties"Proc.2000 ASPE Annual Meeting. 324-327 (2000)

S.Shimada，H.Takai，H.Tanaka，N.Ikawa：“陶瓷超晶格涂膜层压周期对其机械性能的影响”Proc.2000 ASPE 年会。

H. Tanaka, S. Shimada, N. Ikawa: "Prediction of an Ideal Surface Processing of Monocrystalline Silicon for Minimal Surface Roughness and Damage by Molecular Dynamics Analysis"J. Soc. Grinding Engineers. 45, 4. 175-180 (2001)

H. Tanaka、S. Shimada、N. Ikawa：“通过分子动力学分析预测单晶硅的理想表面加工，以实现最小表面粗糙度和损伤”J。

H.Tanaka, S.Shimada, N.Ikawa, M.Higuchi, K.Obata: "Difference in Wear Paterns of Diamond Cutting Tool Depending on Work Materials"Proc.10th ICPE, Yokohama. 179-183 (2001)

H.Tanaka、S.Shimada、N.Ikawa、M.Higuchi、K.Obata：“金刚石切削刀具磨损模式的差异取决于工件材料”Proc.10th ICPE，横滨。

高井英義, 島田尚一, 鶴谷身延, 田中宏明: "超格子薄膜の微細構造と機能"2000年度精密工学会春季大会学術講演会講演論文集. 158 (2000)

高井秀吉、岛田翔一、鹤屋身延、田中宏明：《超晶格薄膜的精细结构与功能》2000年日本精密工程学会春季学术会议论文集158（2000）。