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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Simulations/Experiments Integration for Next Generation Hypersonic Materials
Presentation Title Foundational Molecular Dynamic Models and Experiments of SiC Oxidation for Materials Development in Extreme Environments
Author(s) Robert Slapikas, Mike Ammendola, Anindya Ghoshal, Luis Bravo, Ryan Mcgowan, Muthuvel Murugan, Patrick Albert, Justin Reiss, Douglas Wolfe
On-Site Speaker (Planned) Robert Slapikas
Abstract Scope Thermomechanical properties of ultra-high temperature ceramics (UHTCs) enable materials to resist greater temperatures and pressures. However, oxidation still hinders the development of extreme-environment materials including ceramic matrix composites (CMCs). Currently, SiC is employed in CMCs as a sintering aid and to generate protective oxide layers at operating temperatures up to 1,500 C. In order to better comprehend surface thermomechanical and chemical-mechanical processes, reactive molecular dynamics simulations are utilized to analyze polycrystalline SiC ablation and oxidation rates at the nanoscale. Simulations were performed at temperatures of 26–2,000 C. The findings provide a framework for linking component behavior to material system performance, which is particularly helpful in the absence of experimental data. This study examines how polycrystalline SiC performance is impacted by high temperature oxidation and the ablation of molecules from its surface. With experimental validation through 1,024 hour static oxidation tests performed at temperatures of 1,100 and 1,300 C.
Proceedings Inclusion? Planned:
Keywords Ceramics, High-Temperature Materials, Modeling and Simulation


CALPHAD-based Thermal Conductivity Modeling Appended with Porosity Effects for Ultra-high Temperature Ceramics Suitable for Hypersonic Applications
Correlative Multiscale 3D Investigation of Damage in Angle-interlocked Ceramic Matrix Composites
Design and Rapid Solidification Analysis of Refractory Multi-principal Element Alloys
First-principles Calculations of Diffusion Coefficients in High-temperature Carbides
Foundational Molecular Dynamic Models and Experiments of SiC Oxidation for Materials Development in Extreme Environments
High-temperature Oxygen Plasma Experiments and Atomistic Simulations of Active Oxidation in Nanocrystalline SiC Woven Fibers
Mechanical and Structural Characterization of Ultra-fast Boriding Process on Refractory Metals
Mesoscale Thermomechanical Modeling of Woven Carbon Composites
Metal Di-boride (MB2 | M = Ti, Zr, Nb, Hf, Ta) Properties Above 3000 ˚C
Rapid Computational Design and Experimental Validation of Ductile High Entropy Alloys for Extreme Environments
Size Effect at High Temperature in Additive Metals

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