Integrated Experiment and Atomistic Computation on Moisture-Induced Interfacial Embrittlement

湿致界面脆化综合实验与原子计算

• 批准号: 0825842
• 负责人: Scott Mao
• 金额: $ 34.31万
• 依托单位: University of Pittsburgh
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-10-01 至 2013-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0825842&HistoricalAwards=false
• 关键词: Integrated; Experiment; Atomistic; Computation; Moisture

Integrated experiment and atomistic computation on moisture-induced interfacial embrittlementPI: Scott X. Mao, Dept of Mechanical Engineering and Materials Science, Univ. of PittsburghMetal-ceramic composites, electronic packaging, and environmental barrier coatings used for thermal protection, abrasion, and hot corrosion resistance are all made with metal/ceramic interfaces. Reliability of these interfacial materials relies heavily on the nature of their interface performance. Currently, moisture-induced interfacial embrittlement is one of major mechanical failures and becomes a serious technological concern in the application of these interfacial materials in moisture-containing environment. Lack of the understanding on (i) how moisture react with the metal/ceramic interfacial bonds and reduce the interfacial strength and (ii) what type of interface sensitive to moisture-induced embrittlement is the barrier for new interfacial materials (such as coatings and multilayers) design and application. This project will focus on the mechanism of moisture-induced ductile to brittle transition at interface through combined experiment and atomistic model prediction with in-situ X-ray photoelectron spectroscopy (XPS) test and first-principles calculations. The proposed experiment with AFM tip/moisture/substrate interaction will open a new approach to quantify inter-atomic interaction with moisture effect. Furthermore, the project will integrate research and education by (i) providing training for graduate and undergraduate students, (ii) course development in ?interfacial materials and characteristics?, (iii) increased participation of underrepresented groups into the research through current Minority Engineering Mentoring Program, and (iv) outreach to elementary school and exposure of young students to interfacial materials and surface engineering through Internet explorers and Pittsburgh Carnegie Science Museum.

水分引起的界面互惠的综合实验和原子计算：Scott X. Mao，机械工程和材料科学系，Univ。匹兹堡 - 陶瓷复合材料，电子包装以及用于热保护，磨损和热腐蚀性的环境屏障涂层都是由金属/陶瓷界面制成的。这些界面材料的可靠性在很大程度上取决于其界面性能的性质。目前，水分引起的界面互惠是主要的机械故障之一，并且在将这些界面材料应用于水分环境中的应用中成为严重的技术问题。缺乏对（i）水分如何与金属/陶瓷界面键反应并降低界面强度的理解，以及（ii）哪种类型的界面对水分引起的覆盖敏感是新的界面材料（例如涂料和多层）设计和应用的障碍。该项目将通过合并的实验和原子模型预测与原位X射线光电学光谱（XPS）测试和第一原理计算，通过合并的实验和原子模型预测的水分诱导的延性到脆性过渡的机理。提出的使用AFM尖端/水分/底物相互作用的实验将打开一种新的方法，以量化原子间相互作用与水分效应。此外，该项目将通过（i）为研究生和本科生提供培训，（ii）界面材料和特征的课程发展？博物馆。