Molecular Tailoring of Interfacial Fracture

界面断裂的分子剪裁

• 批准号: 1161517
• 负责人: Nancy Sottos
• 金额: $ 34.1万
• 依托单位: University of Illinois at Urbana-Champaign
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-09-15 至 2016-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1161517&HistoricalAwards=false
• 关键词: Molecular; Tailoring; Interfacial; Fracture

The research objective of this grant is to establish fundamental relationships between molecular scale surface modification and macroscale interfacial adhesion and fracture. The research program will emphasize the development of integrated, multiscale experimental and numerical tools to characterize, model, and ultimately expand understanding of how self-assembled monolayers (SAMs) can be exploited to control mechanisms of interfacial failure, with emphasis on the high strain rate regime at which experimental conditions and molecular-level models can be directly related. The experimental assessment of the strength and toughness of the SAM-mediated interfaces will be achieved through advances in high strain rate, laser-induced dynamic delamination methods. To support the experiments and provide insight on the interfacial failure processes, advanced modeling tools combining molecular dynamics models and a continuum-level multiscale cohesive framework will be developed, validated, and applied. The novel integration of MD and continuum-level cohesive models of delamination will deliver important insights on the molecular tailoring of adhesion properties in delamination events.The research project will have significant educational and technological impact. SAMs are increasingly used in a wide range of technological applications, including lubricants in MEMS, diffusion barriers in microelectronics, adhesion promotion, and for control of heat transport across interfaces. Assessing and predicting the adhesion properties of SAMs are critical for successful performance in these and future applications. This research project will provide training for two graduate students and one summer undergraduate research student, who will benefit from a truly multidisciplinary education in materials science, solid mechanics, and chemistry and will have the opportunity to participate in outreach activities.

该基金的研究目标是建立分子尺度表面改性与宏观尺度界面粘附和断裂之间的基本关系。 该研究计划将强调开发集成的多尺度实验和数值工具，以表征，建模并最终扩展对如何利用自组装单分子层（SAMs）控制界面失效机制的理解，重点是高应变率制度，实验条件和分子水平模型可以直接相关。 SAM介导的界面的强度和韧性的实验评估将通过在高应变率，激光诱导动态分层方法的进展。 为了支持实验，并提供对界面失效过程的见解，先进的建模工具相结合的分子动力学模型和一个连续层次的多尺度内聚框架将开发，验证和应用。 MD和连续层内聚模型的新集成将为脱层事件中粘附特性的分子剪裁提供重要见解。该研究项目将产生重大的教育和技术影响。 SAM越来越多地用于广泛的技术应用中，包括MEMS中的润滑剂、微电子中的扩散屏障、粘附促进以及用于控制跨界面的热传输。 评估和预测自组装膜的粘附性能对于这些应用和未来应用的成功性能至关重要。 该研究项目将为两名研究生和一名暑期本科研究生提供培训，他们将受益于材料科学，固体力学和化学方面的真正多学科教育，并将有机会参加推广活动。