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| Format: | Preprint |
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2024
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| Online-Zugang: | https://arxiv.org/abs/2412.00588 |
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| _version_ | 1866912984035491840 |
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| author | Zafar, Saifuddin Ehsan, Mashaekh Tausif Suvro, Sourav Das Islam, Mahmudul Hasan, Mohammad Nasim |
| author_facet | Zafar, Saifuddin Ehsan, Mashaekh Tausif Suvro, Sourav Das Islam, Mahmudul Hasan, Mohammad Nasim |
| contents | Refractory high-entropy alloy (RHEA) is a promising class of materials with potential applications in extreme environments, where the dominant failure mode is thermal creep. The design of these alloys, therefore, requires an understanding of how their microstructure and local chemical distribution affect creep behavior. In this study, we performed high-fidelity atomistic simulations using machine-learning interatomic potentials to explore the creep deformation of MoNbTaW RHEA under a wide range of stress and temperature conditions. We parametrized grain size and local chemical order (LCO) to investigate the effects of these two important design variables, which can be controlled during the alloy fabrication process, on creep deformation process. Our investigation revealed that resistance to creep deformation is enhanced with larger grain size due to the reduced grain boundary area, which limits grain-boundary dominated deformation mechanisms such as Coble creep and grain boundary sliding. Introducing LCO in the microstructure has the same effect of increasing resistance to creep deformation by strengthening grain boundary. This study highlights the importance of utilizing LCO in conjunction with other microstructural properties when designing RHEAs for extreme environmental applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_00588 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Effect of Grain Size and Local Chemical Order on Creep Resistance in MoNbTaW Refractory High-Entropy Alloy: A Molecular Dynamics Study Zafar, Saifuddin Ehsan, Mashaekh Tausif Suvro, Sourav Das Islam, Mahmudul Hasan, Mohammad Nasim Materials Science Computational Physics Refractory high-entropy alloy (RHEA) is a promising class of materials with potential applications in extreme environments, where the dominant failure mode is thermal creep. The design of these alloys, therefore, requires an understanding of how their microstructure and local chemical distribution affect creep behavior. In this study, we performed high-fidelity atomistic simulations using machine-learning interatomic potentials to explore the creep deformation of MoNbTaW RHEA under a wide range of stress and temperature conditions. We parametrized grain size and local chemical order (LCO) to investigate the effects of these two important design variables, which can be controlled during the alloy fabrication process, on creep deformation process. Our investigation revealed that resistance to creep deformation is enhanced with larger grain size due to the reduced grain boundary area, which limits grain-boundary dominated deformation mechanisms such as Coble creep and grain boundary sliding. Introducing LCO in the microstructure has the same effect of increasing resistance to creep deformation by strengthening grain boundary. This study highlights the importance of utilizing LCO in conjunction with other microstructural properties when designing RHEAs for extreme environmental applications. |
| title | Effect of Grain Size and Local Chemical Order on Creep Resistance in MoNbTaW Refractory High-Entropy Alloy: A Molecular Dynamics Study |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2412.00588 |