Mechanical Properties and Deformation Mechanisms of Nanocrystalline U-10Mo Alloys by Molecular Dynamics Simulation
Abstract
:1. Introduction
2. Simulation Method and Model
3. Results and Discussion
3.1. Scaling Laws of Mechanical Properties
3.2. Deformation Processes
3.3. Effect of Temperature
3.4. Effect of Strain Rate
4. Conclusions
- (1)
- Mechanical properties (including Young’s modulus, yield strength and UTS) monotonically improved as increasing average grain size. The inherent reason for Young’s modulus increasing with mean grain size was that atoms located in grains occupied a larger proportion.
- (2)
- During deformation, localized phase transitions from bcc to fcc (hcp) were observed in polycrystalline U-10Mo alloys. Grains will spin and glide if the binding force between grains is lower than the shear stress. The coupling effect of grain boundary sliding and grain rotation as well as the development of twinning, contributed to the deformation process. The former is the main deformation mechanism in small-sized grains, while the deformation of large-sized grains is predominated by the latter.
- (3)
- For larger-sized samples, the local plastic deformation was more serious, which promoted the decrease in stress, leading to a more obvious stress reduction after reaching the peak.
- (4)
- Rising temperature weakened the mechanical properties of polycrystalline U-10Mo alloys while increasing the tensile strain rate caused the opposite. Lower temperatures and higher strain rates not only facilitated the twinning tendency but also favored the occurrence of phase transitions in samples.
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Ou, X.; Shen, Y.; Yang, Y.; You, Z.; Wang, P.; Yang, Y.; Tian, X. Mechanical Properties and Deformation Mechanisms of Nanocrystalline U-10Mo Alloys by Molecular Dynamics Simulation. Materials 2023, 16, 4618. https://doi.org/10.3390/ma16134618
Ou X, Shen Y, Yang Y, You Z, Wang P, Yang Y, Tian X. Mechanical Properties and Deformation Mechanisms of Nanocrystalline U-10Mo Alloys by Molecular Dynamics Simulation. Materials. 2023; 16(13):4618. https://doi.org/10.3390/ma16134618
Chicago/Turabian StyleOu, Xuelian, Yanxin Shen, Yue Yang, Zhenjiang You, Peng Wang, Yexin Yang, and Xiaofeng Tian. 2023. "Mechanical Properties and Deformation Mechanisms of Nanocrystalline U-10Mo Alloys by Molecular Dynamics Simulation" Materials 16, no. 13: 4618. https://doi.org/10.3390/ma16134618