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Meeting MS&T26: Materials Science & Technology
Symposium Advanced Materials for Harsh Environments
Presentation Title Bridging Atomic and Continuum Scale Simulations for Materials in Extreme Environments
Author(s) Chinonso Ugwumadu, Roxanne Tutchton
On-Site Speaker (Planned) Chinonso Ugwumadu
Abstract Scope Spacecraft materials in low Earth orbit (LEO) endure exposure to UV and energetic particles, leading to surface erosion, defect accumulation, and the progressive degradation of mechanical, thermal, and electronic properties. In-situ observations are impractical, theoretical models and simulations are crucial for understanding defect evolution. We show a framework that combines Earth-based space environment experiment with multiscale modeling—from atomic scale density functional theory (DFT) and molecular dynamics (MD) at continuum-scale to finite element simulations (FES)—to predict space-environment-induced damage in a range of space materials. We demonstrate a proof-of-concept by constructing carbon foam from porous carbon structures using a DFT-trained machine-learning interatomic potential, then translating atomic data into continuum models for FES. We examine selected spacecraft materials by incorporating experimental data, simulating LEO irradiation in DFT and MD, and analyzing changes in material properties using novel theoretical frameworks. The results will feed into FES to investigate long-term damage evolution.

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Alloyed Diffusion Coatings on Brass for Enhanced Corrosion Resistance in Harsh Environments
Bridging Atomic and Continuum Scale Simulations for Materials in Extreme Environments
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Effect of High Valence Doping on High Temperature Properties of Zirconia
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Grain Size Effects on Microstructural Evolution and Mechanical Properties of Neutron Irradiated Grade 91 Ferritic/Martensitic Steel
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Microstructural Evolution and Mechanical Response of Compressed Martian and Lunar Regolith Simulant Pellets
Oxidation Mechanism and Oxidation Kinetics of (Tb2-xYx)O3 Solid Solutions
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Single Event Effect Sensitivity of GaN Devices with Femtosecond Pulsed Laser Probing
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Through-Thickness Texture Evolution in BCC Niobium During Cold Rolling: A Two-Scale ABAQUS/Explicit–DAMASK Study
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