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Meeting MS&T23: Materials Science & Technology
Symposium Mesoscale Phenomena in Functional Polycrystals and Their Nanostructures
Presentation Title Structure Property Relationships in Complex, Multi-phase, Polycrystalline Materials
Author(s) Mir Al-Masud, Naji Mashrafi, Adnan Taqi, Matthew J Beck
On-Site Speaker (Planned) Mir Al-Masud
Abstract Scope Nanostructured and additively manufactured materials often exhibit complex and inhomogeneous microstructures. While available characterization techniques can reveal average or effective bulk properties and provide insight into local structure, linking changes in bulk properties to local structure is challenging. For many traditional materials, computational modeling has often allowed efficient prediction of processing-structure-property relationships, but these methods continue to be limited for materials with complex, random, or inhomogeneous structures. Recently, the Kentucky Random Structures Toolkit (KRASTk) has been developed to address this challenge by allowing for the stochastic generation of sets of many model representative volume elements (mRVEs) from a physically-motivated geometric seed description. Both expected bulk effective properties and length-scale-dependent distributions of local properties are then computed for sets of structures via FEM. Focusing on a novel metallic alloy for 3D printed high-temperature, high-strength applications, we demonstrate this approach and uncover structure-property relationships governing mesoscale and bulk mechanical behavior.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Acoustic Phonon Spectra Modification and Light Emission Properties of Rare Earth Doped Polycrystalline Alumina
Bidirectional Dynamic Mechanical Writing of Polar Bubbles
Causality and Machine Learning Models of Ferroics From Atomistic Simulations
Characterization of Phase and Domain Switching in Sn-doped BCZT Piezoceramics with Large Electromechanical Strains
Computer Simulation as a Tool to Optimize Electronic Conduction.
D-17: Alchemy of Graphite: The Many Faces of Coal
D-18: High-throughput Approach for Predicting Optical Properties of Crystals
D-19: Numerical Analysis of the Influence of the Second-phase Particle Morphology on the Alloy Microstructure Evolution
Enhanced Electron Transport in Metal-Carbon Composites
Heat-assisted Ferroelectric Reading for High Speed Ultrahigh-density Ferroelectric Data Storage
Hierarchical Ceramic Composites for Ultra-high Temperature Applications
Liquid Crystalline Diffractive Waveplates: Ultrathin, Planar Optics
Mesoscale Dipoles via Strain Induced Correlations in an Atomic-layer Superlattice
Modeling Local Dielectric Dispersion in Ferroelectric BaTiO3 with Domain Walls
Modeling Thermoelectric Figure of Merit in Complex Materials at Mesoscale
Optical Behavior and Electro-optic Performance in Fine Grained Lead-free Ceramics
Optical Properties of Chalcophosphate Materials in the Visible and Infrared Range
Strain-tuned Quantum Materials
Structure Property Relationships in Complex, Multi-phase, Polycrystalline Materials

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