Additive Mediated Nucleation and Growth during Electrodeposition: High-throughput Experiments and Multiscale Simulation

电镀过程中添加剂介导的成核和生长：高通量实验和多尺度模拟

• 批准号: 0438356
• 负责人: Richard Alkire
• 金额: $ 30万
• 依托单位: University of Illinois at Urbana-Champaign
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-03-01 至 2008-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0438356&HistoricalAwards=false
• 关键词: Additive; Mediated; Nucleation; Growth; during

AbstractProposal Title: Additive Mediated Nucleation and Growth during Electrodeposition: High-Throughput Experiments and Multiscale Simulation Proposal Number: CTS-0438356Principal Investigator: Richard C. Alkire and Richard D. BraatzInstitution: University of Illinois at Urbana-Champaign Analysis (rationale for decision):New applications in materials, medicine, and computers are being discovered where precise control of events at multiple scales is critical to product quality. The particular focus for research is on events that control behavior at the solid-liquid interface during nucleation and growth of electrodeposited metal clusters and films in the presence of solution additives. Although additives play a central role at the atomic scale, the primary manipulation of these events during manufacturing processes occurs at macroscopic length scales. This proposal addresses the challenge of replacing trial-and-error experimentation and design, with a multiscale approach that spans from the atomistic scale to the macroscopic process scale.The intellectual merit of the work is to understand of how nucleation and early stages of deposit growth are influenced by trace quantities of solution additives during electrodeposition of metals, and to incorporate that knowledge in multiscale simulations "from molecules to processes." The proposal addresses how small-scale surface interactions guide spontaneous self-organization, how to design and control systems which include uncertainties in the physicochemical mechanisms as well as in values of parameters, and how to insure quality control at multiple scales in manufacturing. This proposal takes strategic advantage of high end computing in order to provide a re-usable approach that has the potential for contributing well beyond the specific applications considered here in its development. The specific contributions include (a) a novel high-throughput experimental method for characterizing nucleation and growth, (b) linked stochastic/continuum multiscale simulations, (c) computational analysis tools for comparing experiment and theory, and (d) integration of the foregoing tools to accommodate the rapid advancement of physical knowledge and its transfer into innovative technological applications.

摘要提案题目：电沉积过程中添加剂介导的成核和生长：高通量实验和多尺度模拟提案编号：cct -0438356首席研究员：Richard C. Alkire和Richard D. BraatzInstitution：伊利诺伊大学香槟分校分析（决策的基本原理）：在材料、医学和计算机领域的新应用正在被发现，在这些领域，多尺度事件的精确控制对产品质量至关重要。研究的重点是在溶液添加剂存在的情况下，电沉积金属团簇和薄膜在成核和生长过程中控制固液界面行为的事件。虽然添加剂在原子尺度上起着核心作用，但在制造过程中，这些事件的主要操纵发生在宏观的长度尺度上。该建议解决了用从原子尺度到宏观过程尺度的多尺度方法取代试错实验和设计的挑战。这项工作的智力价值在于了解金属电沉积过程中微量溶液添加剂如何影响成核和沉积生长的早期阶段，并将这些知识纳入“从分子到过程”的多尺度模拟中。该提案解决了小尺度表面相互作用如何引导自发自组织，如何设计和控制包括物理化学机制和参数值不确定性的系统，以及如何确保制造过程中多尺度的质量控制。该建议利用了高端计算的战略优势，以提供一种可重用的方法，这种方法的贡献潜力远远超出了本文在其开发中考虑的特定应用程序。具体贡献包括(a)表征成核和生长的新型高通量实验方法，(b)关联的随机/连续多尺度模拟，(c)用于比较实验和理论的计算分析工具，以及(d)将上述工具集成以适应物理知识的快速发展及其向创新技术应用的转移。