Multi-Scale Modeling of Co-Fired Ceramics' Fabrication

技术概述：该奖项支持材料研究和工程界面的计算研究和教育，旨在开发一种新的多尺度建模方法，能够预测多层陶瓷复合材料共烧过程中的孔粒结构演变、宏观形状变形、密度分布和应力积累。统计物理工具是PI方法的核心。预测工具将对陶瓷材料的各种实际应用产生影响，同时提高我们对多材料系统共烧的理解。PI将连接两个不同层次的材料描述，中观和宏观尺度建模。当层的尺寸属于中尺度时，这一环节对陶瓷的电子应用特别重要。适当地使用最新的蒙特卡罗模拟，包括与确定性中尺度应力分析的联系，就可以减少对粒子几何形状及其演化的假设。这样可以得到更一般的热力学和动力学数据，从而可以得到共烧固结。不同尺度材料间相互作用的特殊计算程序正在开发中。所有的本构关系都是通过虚拟测试环境中的数值实验获得的，并且将实验输入的需求减少到最小数量的自由燃烧和欠载燃烧试验，以确定陶瓷复合成分材料的性能。由此产生的计算机代码应该能够预测和优化形状畸变、密度、晶粒尺寸和晶粒形态空间分布。非技术总结：该奖项支持材料研究与工程界面的计算研究和教育，以开发一种计算程序，使人们能够确定小尺寸和中等尺寸的材料结构之间的相互作用如何决定陶瓷的结构演变并影响陶瓷材料的最终性能。计算工具的发展将影响更广泛的材料研究和工程界。研究生和本科生直接或通过外联活动参与该研究计划，其中包括圣地亚哥州立大学的材料工程课程。拟议的项目将有助于圣地亚哥州立大学和加州大学圣地亚哥分校材料科学与工程联合博士项目的发展。与桑迪亚国家实验室和工业界的合作也包括在这项工作中。

TECHNICAL SUMMARY:This award supports computational research and education at the interface of materials research and engineering with the aim of developing a new multi-scale modeling approach capable of predicting the pore-grain structure evolution, macroscopic shape distortion, density distribution, and stress accumulation during co-firing of multi-layer ceramic composites. The tools of statistical physics lie at the heart of the PI's methods. A predictive tool would have impact on various practical applications of ceramic materials while improving our understanding of co-firing in multi-material systems. The PI will link two different levels of material description, meso- and macro-scale modeling. This link is of particular importance for electronics applications of cermics when the dimensions of the layers belong to the meso-scale. With proper use of updated Monte-Carlo simulations, including a link to the deterministic meso-scale stress analysis, fewer assumptions about the geometry of particles and their evolution have to be made. This results in more general thermodynamic and kinetic data so co-firing consolidation can be obtained. A special computational procedure for interaction between different material scales is being developed. All constitutive relationships are obtained through numerical experiments in the virtual test environment, and the need for experimental input is reduced to a minimal number of free firing and firing-under-load tests necessary to determine the properties of ceramic composite constituent materials. The resulting computer code should enable prediction and optimization of shape distortion, density, grain size and grain morphology spatial distributions.NON-TECHNICAL SUMMARY:This award supports computational research and education at the interface of materials research with engineering to develop a computational procedure that allows one to determine how the interplay between materials structure on small and intermediate length scales determine the structural evolution of ceramics and influence the ultimate properties of ceramic materials. Computational tools developed would impact the broader materials research and engineering communities. Graduate and undergraduate students participate in this research plan directly and through outreach activities which include a Materials Engineering Curriculum of the San Diego State University. The proposed program will contribute to the development of the Joint Doctoral Program between San Diego State University and University of California, San Diego in Materials Science and Engineering. Collaboration with Sandia National Laboratories and industry are also included in this effort.