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Meeting MS&T24: Materials Science & Technology
Symposium Mesoscale Phenomena in Functional Polycrystals and Nanostructures
Presentation Title Predicting Failure via Grain Boundary Rupture Using a Stochastic FEM-based Approach
Author(s) Naji Mashrafi, Adnan Taqi , Matthew J. Beck
On-Site Speaker (Planned) Naji Mashrafi
Abstract Scope Microstructural complexity in additively manufactured materials makes prediction of the location and critical stress for failure initiation difficult. Here we explore correlations between local structural features and effective applied stresses necessary to initiate grain boundary rupture. Leveraging the Kentucky Random Structures Toolkit (KRaSTk) to generate model representative volume elements (mRVEs) from physically-motivated geometric seed descriptions combined with FEM, we quantify both bulk mechanical responses and localized fracture initiation in polycrystals. Specifically, we examine distributions of stresses on grain boundaries across stochastic sets of mRVEs to deduce (micro)structure-property relationships. Results demonstrate a strong correlation between specific microstructural features and probability of grain boundary rupture, providing insights into failure initiation and demonstrating a computational framework for predicting failure stresses in complex polycrystals.

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Microstructural Characterization of Artificial Interfacial Solids for High ZT Thermoelectrics
Nanoscale Flexoelectric Control of Tribology in Ferroelectrics
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Vapor Phase Grown Metal Oxide Nanoparticles in Aqueous Environments: Structure Formation, Transformation Behaviour, and Reactivity

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