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About this Abstract
Meeting	2025 TMS Annual Meeting & Exhibition
Symposium	Bridging Scale Gaps in Multiscale Materials Modeling in the Age of Artificial Intelligence
Presentation Title	Engineering the Crack-Tip Material Composition to Enhance the Microplasticity in Refractory Complex Concentrated Alloys
Author(s)	Subhendu Chakraborty, Liang Qi
On-Site Speaker (Planned)	Subhendu Chakraborty
Abstract Scope	Refractory Complex Concentrated Alloys(RCCAs) are promising candidates for high-temperature structural applications with temperatures exceeding 1000° C. But these materials suffer from low fracture toughness at room temperature causing the material to be brittle and difficult to machine. In this presentation, we will discuss our findings in designing the alloy composition to enhance the microplasticity near the crack tip by activating multiple slip systems at the crack tip. Time-accelerated molecular dynamics with machine-learned potential will be used to study the plastic deformation mechanisms near the crack tip. The model will be coupled with mesoscale crystal-plasticity to overcome the spatial limitation of the atomistic domain and represent the crack-tip stress field appropriately. The effect of different alloying compositions on either nucleation of dislocation or propagation of crack will be discussed.
Proceedings Inclusion?	Planned:
Keywords	Mechanical Properties, Modeling and Simulation, Computational Materials Science & Engineering

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Efficient High-Throughput Ab Initio Prediction of Liquidus Curves

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First-Principles Models of Solute-Defect Interactions in Alloys

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