Creep condition-oriented design of molybdenum alloys with La₂O₃ addition assisted by microstructure-based crystal plasticity modeling

Molybdenum (Mo) alloys are essential for applications requiring outstanding mechanical properties at high temperatures across various industrial sectors. Understanding and predicting the creep properties of Mo alloys is crucial for service safety and the design of new materials. This study introduces a physics-based crystallographic creep model dedicated to the characteristic hierarchical microstructure of Mo–La₂O₃ alloys. By sourcing most parameters from existing literature and calibrating others within recommended ranges, the model efficiently predicts creep behavior beyond its initial calibration scope. Through the integration of microstructure descriptors, we systematically explored the impact of different microstructural features on the creep behavior and identified the underlying mechanisms. This analysis yielded two pivotal concepts: the minimum acceptable grain size and the necessary nanoparticle number density. These metrics, readily obtainable from the model, quantify the requisite grain size and nanoparticle content to achieve the target steady-state creep rates for operational demands, thus providing essential insights for the creep condition-oriented design of Mo–La₂O₃ alloys. The model is also expected to be adaptable for developing other Mo alloys reinforced by second phase particles, aimed at achieving desired creep properties under specified conditions, assuming that relevant parameters are accessible through literature or lower-scale simulations.