NSF/Sandia: Collaborative Research: Adaptive Hierarchical Multiscale Framework for Modeling the Deformation of Ultra-Strong Nano-Structured Materials

NSF/桑迪亚：合作研究：用于模拟超强纳米结构材料变形的自适应分层多尺度框架

• 批准号: 0625267
• 负责人: Jacob Fish
• 金额: $ 19.99万
• 依托单位: Rensselaer Polytechnic Institute
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-10-01 至 2010-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0625267&HistoricalAwards=false
• 关键词: NSF; Sandia; Collaborative; Research; Adaptive

Abstract Nano-structured materials are extremely attractive for applications requiring high strength and ductility. Two such areas are: (1) nano-layered composites for future aerospace applications demanding high strength-to-weight ratios; and (2) next-generation interconnect and packaging components in future generations of electronic devices. While atomistic Molecular Dynamics (MD) simulations are the most reliable tools for investigating deformation phenomena at the nano-scale (in absence of electronic structure considerations), they are limited to very small volumes and short simulation times. Likewise, dislocation dynamics simulations are limited in the ability to resolve the core structure of defects and to incorporate dislocation nucleation events without ad hoc assumptions. We plan to develop an adaptive hierarchical multiscale framework (AHMF) , where appropriate scale and physics are selected adaptively based on model error estimators.. Using this framework, we plan to investigate the deformation characteristics of two classes of nano-structured materials: polycrystalline nano-twinned copper inter-connects, and multi-layer nano-composites. We will apply these new tools to the design of bcc/fcc nano-layered materials, and the development of nano-twinned Cu interconnect lines with ultra-high strength and normal conductivity so that they can act as free standing interconnects.

摘要 纳米结构材料对于需要高强度和延展性的应用极具吸引力。其中两个领域是：（1）用于需要高强度重量比的未来航空航天应用的纳米层状复合材料； (2) 下一代电子设备中的下一代互连和封装组件。虽然原子分子动力学 (MD) 模拟是研究纳米尺度变形现象（不考虑电子结构）的最可靠工具，但它们仅限于非常小的体积和较短的模拟时间。同样，位错动力学模拟在解决缺陷核心结构和在没有临时假设的情况下纳入位错成核事件的能力受到限制。我们计划开发一个自适应分层多尺度框架（AHMF），根据模型误差估计器自适应地选择适当的尺度和物理场。使用这个框架，我们计划研究两类纳米结构材料的变形特征：多晶纳米-孪生铜互连和多层纳米复合材料。我们将把这些新工具应用于bcc/fcc纳米层状材料的设计，以及具有超高强度和正常导电率的纳米孪生铜互连线的开发，以便它们可以充当独立互连线。