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.

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多个尺度的事件对产品质量至关重要。研究的特殊重点是在溶液添加剂存在下的成核和电沉积金属簇和膜增长过程中控制固定液体界面的行为的事件。尽管添加剂在原子量表上起着核心作用，但在制造过程中对这些事件的主要操纵发生在宏观长度尺度上。该建议解决了从原子量表到宏观过程量表的多尺度方法更换试验和纠正实验和设计的挑战。这项工作的智力优点是了解核的成核和早期阶段的生长量和早期阶段如何受到摩尔群和多种化合物的拟合过程中的量化添加剂的影响。该提案介绍了小规模的表面相互作用如何引导自发自组织，如何设计和控制系统，这些系统包括物理化学机制以及参数值中的不确定性，以及如何在制造中多个尺度上确保质量控制。该提案具有高端计算的战略优势，以提供一种可重复使用的方法，该方法有可能超越此处考虑的特定应用程序。具体贡献包括（a）一种用于表征成核和生长的新型高通量实验方法，（b）链接的随机/连续性多尺度仿真，（c）用于比较实验和理论的计算分析工具，以及（d）集成上述工具以适应物理知识及其转移到创新技术中的迅速发展。