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法中具有广泛的应用。但是，需要在工程应用中保证完整性，在该项目中，已经对涂层过程中涂层薄膜和底物微观结构的变化进行了系统分析，以及它们的特性及其在随后的变形的特性与随后的变形相关，与微结构变化相关。（AL_2O_3）和硼硅酸盐玻璃基板上的碳化硅（SIC）陶瓷。研究了制备材料的机械性能，并研究了所研究的特性如下：表面粗糙度，孔隙度，涂层膜的硬度和涂层材料的弯曲强度。阐明了这些特性之间的相互关系，包括与涂料条件的关系。建立了使用分子动力学（MD）的新程序，因此……更多的是，可以在溅射过程中执行综合分析，结果，所得的膜结构以及涂层材料的强度特性。使用建议的程序分析了Al对硅（SI）底物的溅射。发现涂层膜中原子的占用比增加了较大的入射能量。通过沿膜和底物之间的界面平行的方向载荷来检查Al涂层材料的拉伸强度。分析结果表明，在涂层过程中孔形成引起的强度降低。可以澄清的是，薄膜覆盖的材料的密度较低，孔隙率较高，其抗压痕变形的耐药性较低。通过比较分析结果和实验结果，得出的结论是，所提出的MD程序可有效地分析薄膜涂层材料的处理，结构和变形，并建议适用于此类材料的完整性评估。较少的