Multi-Scale Modeling of Co-Fired Ceramics' Fabrication

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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.