Modeling the Formation of Self-Ordered Nanoporous Anodic Oxides

模拟自有序纳米多孔阳极氧化物的形成

• 批准号: 1000748
• 负责人: Kurt Hebert
• 金额: $ 28.03万
• 依托单位: Iowa State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-08-01 至 2014-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1000748&HistoricalAwards=false
• 关键词: Modeling; Formation; Self; Ordered; Nanoporous

The research objective of this award is to develop new methods for the rational design of highly ordered porous anodic oxide (PAO) films. These films are formed electrochemically by applying voltages to metals such as aluminum and titanium, in electrochemical cells. The films contain self-ordered hexagonal arrays of nanoscale pores, covering macroscopic areas. While much attention has focused on the use of PAO as templates for functional devices, these structures have been developed empirically, in the absence of robust understanding of processes controlling film growth. The goal of this research is to develop a fully predictive model of pore formation and self-ordering. The work will be guided by the concept that oxide material is transported by the combined influence of the electric field and mechanical stress. Experimental stress measurements will determine the operative balances of viscous, electrostatic and oxidation-induced stress governing interface motion in PAO films. Using this knowledge, descriptions of transport processes and driving forces will be formulated as a predictive simulation PAO growth, revealing the relations between electrochemical polarization, bath chemistry, and the dynamics of the self-ordering.If successful, the chemical-mechanical model of PAO formation will provide a fundamental basis for model-based design of self-organized porous anodic films. Thus, the model may permit rational manipulation of process conditions for high-rate fabrication of defect-free films, thus enhancing the commercial potential of PAO-based functional devices for solar energy conversion, catalysis, and biomedical applications. Student training will benefit from the unique aspects of this project: close integration of chemistry and mechanics; rigorous combination of a variety of experimental and modeling approaches; and on-site collaboration with a materials characterization group in England. Student training at Iowa State will take advantage of the strong presence of graduate and undergraduate programs promoting underrepresented groups, both at the Department and University levels.

该奖项的研究目标是为高度有序的多孔氧化物（PAO）膜的合理设计开发新方法。 这些薄膜是通过在电化学细胞中的铝和钛等金属上施加电压来形成电化学的。 这些薄膜包含纳米级毛孔的自我排序的六角形阵列，覆盖了宏观区域。 尽管很多关注的重点是将PAO用作功能设备的模板，但在缺乏对控制膜增长的过程的强有力理解的情况下，这些结构是经验开发的。 这项研究的目的是开发孔形成和自我排序的完全预测模型。这项工作将以这样的概念为指导：氧化物材料是通过电场和机械应力的综合影响传输的。实验应力测量结果将确定PAO膜中粘性，静电和氧化诱导的界面运动应力的手术平衡。 利用这些知识，对传输过程和驱动力的描述将作为预测的模拟PAO生长，揭示了电化学极化，浴室化学和自我排序的动力学之间的关系。如果成功，PAO形成的化学机械模型将为基于自动组织的多孔多孔阳极膜的模型设计提供一个基本的基础。 因此，该模型可以允许对无缺陷膜的高速制造工艺条件进行合理的操纵，从而增强了基于PAO的功能设备用于太阳能转化，催化和生物医学应用的商业潜力。 学生培训将从该项目的独特方面受益：化学和力学的紧密整合；各种实验和建模方法的严格组合；并与英格兰的材料表征小组进行现场合作。 爱荷华州立大学的学生培训将利用促进部门和大学级别的代表性不足的研究生和本科课程的强大存在。