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.

湿诱导界面脆化的综合实验与原子计算PI：Scott X. Mao，机械工程与材料科学系，北京大学机械工程与材料科学系匹兹堡的金属陶瓷复合材料、电子封装以及用于热防护、耐磨和热腐蚀的环境隔离涂层都是由金属/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，水分引起的界面脆化是主要的机械故障之一，并成为这些界面材料在含湿环境中应用中的一个严重的技术问题。缺乏对（i）水分如何与金属/陶瓷界面键发生反应并降低界面强度以及（ii）对水分引起的脆化敏感的界面类型是新界面材料（例如涂层和多层）的障碍的了解）设计与应用。该项目将通过结合实验和原子模型预测、原位 X 射线光电子能谱 (XPS) 测试和第一性原理计算，重点研究水分诱导界面韧脆转变的机制。所提出的 AFM 尖端/水分/基底相互作用实验将开辟一种新方法来量化原子间相互作用与水分效应。此外，该项目将通过以下方式整合研究和教育：（i）为研究生和本科生提供培训，（ii）“界面材料和特性”课程开发，（iii）通过当前的少数族裔工程指导，增加代表性不足的群体对研究的参与计划，以及 (iv) 向小学推广，并通过互联网浏览器和匹兹堡卡内基科学博物馆让年轻学生接触界面材料和表面工程。