| AVS 62nd International Symposium & Exhibition | |
| Surface Science | Monday Sessions |
| Session SS+AS+EN-MoM |
| Session: | Synthesis, Structure and Characterization of Oxides |
| Presenter: | Michael Brumbach, Sandia National Laboratories |
| Authors: | M. Brumbach, Sandia National Laboratories T. Zeitler, Sandia National Laboratories T. Alam, Sandia National Laboratories M. Rodriguez, Sandia National Laboratories L. Criscenti, Sandia National Laboratories M. Kalan, Sandia National Laboratories A. Mirabal, Sandia National Laboratories D. Bencoe, Sandia National Laboratories K. Ewsuk, Sandia National Laboratories |
| Correspondent: | Click to Email |
The performance of joining materials in many applications, such as glass-to-metal seals in solid oxide fuel cells and medical devices, require improvements in glass properties for greater reliability. In this work, simple sealing glass compositions have been used to develop experimentally-validated molecular models. The goal is to understand glass chemistry and structure such that modeling can be used to guide glass design, for manufacturability, and optimized performance. The coupled modeling and experimental work will be discussed.
Technological glasses are used in many applications where inorganic joining is required. Applications of joining glasses include glass in glass-to-metal seals (in solid oxide fuel cells or medical components), glass-bonded ceramics (such as debased aluminas), and low temperature co-fired ceramic (LTCC) packaging for microelectronics. For these applications, well-controlled processing conditions and high reliability in the end-product are of paramount importance. To better understand materials performance and reliability our objective is to develop experimentally-validated simulation tools to predict and control glass chemistry-structure property relationships. These tools will be used to predict structure-function relationships in bulk glasses and at joining interfaces.
Results from experimental characterization of several barium aluminosilicate glasses will be discussed. Solid-state NMR, lab-based and synchrotron X-ray scattering, and EXAFS have been used to determine structural characteristics of the exemplar glasses. Comparison of experimental results to molecular dynamics modeling of the three-component glass will be presented. Additional simulations of glass properties and comparisons to measurements will also be discussed.
Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-AC04-94AL85000.