About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanics at the Extremes: Bridging Length-Scales From Nanoscale to Bulk
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| Presentation Title |
Coupling MD with CPFE to study the crack tip deformation mechanism in BCC Refractory Complex Concentrated Alloys. |
| Author(s) |
Subhendu Chakraborty, Liang Qi |
| On-Site Speaker (Planned) |
Subhendu Chakraborty |
| Abstract Scope |
Refractory Complex Concentrated Alloys(RCCAs) are the preferred material of choice 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. A concurrent coupled multiscale method is developed by coupling MD with CPFE to incorporate the effect of dislocation activity away from the crack tip on the crack tip deformation mechanism. 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 influence of alloying composition on the activation of dislocations with different slip systems near crack tips—and its subsequent impact on fracture toughness—will be discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Temperature Materials, Mechanical Properties |