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Integrated Analyses on Creation-Structure-Deformation of Functional Thin-Film Materials Using Molecular Dynamics Method and Assessment of Their Integrity

利用分子动力学方法对功能薄膜材料的生成-结构-变形进行综合分析及其完整性评估

基本信息

批准号：
13650087
负责人：
HOSHIDE Toshihiko
金额：
$ 0.38万
依托单位：
KYOTO UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
2001
资助国家：
日本
起止时间：
2001 至 2002
项目状态：
已结题

项目摘要

Thin-film coated materials have a wide application in their functional usages. It is required, however, that the integrity should be guaranteed during their engineering applications, In this project, systematic analyses have been made on variations in microstructures of coated thin-films and substrates during coating processes as well as their properties of the subsequent deformation associated with the microstructural variations.By an RF sputtering procedure, various thin-film coated materials were prepared by coating aluminum metal, alumina (Al_2O_3) and silicon carbide (SiC) ceramics on borosilicate glass substrates. Mechanical properties of the prepared materials were investigated, and investigated properties are as follows, surface roughness, porosity, hardness of coated films and bending strength of coated materials. Interrelations among these properties were clarified including the relations with coating conditions.A new procedure using molecular dynamics (MD) was established so … More that integrated analyses could be executed on sputtering processes, the resultant film-structures as well as the strength properties of coated materials. The sputtering of Al on silicon (Si) substrate was analyzed by using the proposed procedure. The occupancy ratio of atoms in the coated film was found to increase for larger incident energy. The tensile strength of Al coated material was examined by loading in the direction parallel to the interface between film and substrate. The analytical result showed the reduction in strength caused by the pore formation during coating process. It was clarified that the material coated by the film with lower density and higher porosity had lower resistance to the indentation deformation. By comparison between analytical and experimental results, it was concluded that the proposed MD procedure was effective to the analyses of processing, structure and deformation of thin-film coated materials and was suggested to be applicable to the integrity evaluation of such materials. Less

薄膜涂层材料在其功能用途中具有广泛的应用。本课题系统地分析了镀膜过程中薄膜和基体的微观结构变化以及与微观结构变化相关的变形特性，采用射频溅射方法制备了各种薄膜镀膜材料，氧化铝（Al_2O_3）和碳化硅（SiC）陶瓷。对所制备材料的力学性能进行了研究，主要包括表面粗糙度、孔隙率、涂层硬度和涂层材料的抗弯强度。建立了一种新的分子动力学（MD）计算方法，并对该方法进行了验证 ...更多信息可以对溅射过程、所得膜结构以及涂层材料的强度特性进行综合分析。利用所提出的方法分析了Al在Si衬底上的溅射过程。原子在镀膜中的占有率随入射能量的增大而增大。采用平行于膜基界面方向加载的方法研究了铝涂层材料的拉伸强度。分析结果表明，涂层过程中孔隙的形成导致了强度的降低。结果表明，密度较低、孔隙率较高的薄膜涂层材料对压痕变形的抵抗力较低。通过分析和实验结果的对比，表明所提出的分子动力学方法对薄膜涂层材料的加工、结构和变形分析是有效的，可用于薄膜涂层材料的完整性评价。少