Molecular Dynamics Investigation of the Influence of Voids on the Impact Mechanical Behavior of NiTi Shape-Memory Alloy
Abstract
:1. Introduction
2. Materials and Methods
2.1. Computational Modeling
2.2. Interatomic Potential
2.3. Simulation Software
2.4. Shock Loading Conditions
3. Results and Discussion
3.1. Atomic Structure Characteristics of the Shock Compression Phase
3.2. Energy Propagation Trajectory in the Shock Compression Phase
3.3. Pore and Dislocation Evolution in the Impact Compression Stage
3.4. Curve of Physical Quantity Change of Impact Compression Process
3.5. Influence of Voids on the Shock Wave Front
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Holes | Lx/a | Ly/a | LZ/a | Number of Model Atoms |
---|---|---|---|---|
Non-porous | 180 | 180 | 720 | 1,728,000 |
Porous | 180 | 180 | 720 | 1,644,384 |
Ni-Ni | Ti-Ti | Ni-Ti or Ti-Ni | |
---|---|---|---|
D (Å) | 2.49 | 2.95 | 2.607 |
A (eV) | 0.104 | 0.153 | 0.3 |
P | 11.198 | 9.253 | 7.9 |
ξ (eV) | 1.591 | 1.879 | 2.48 |
Q | 2.413 | 2.513 | 3.002 |
C3 | 27.3341 | 122.395 | 47.8513 |
C2 | −7.54308 | −34.205 | −12.92362 |
C1 | −0.26286 | −1.0054 | −0.572708 |
C0 | 0.13561 | 0.59012 | 0.248676 |
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Wu, Z.; Chen, X.; Fu, T.; Zheng, H.; Zhao, Y. Molecular Dynamics Investigation of the Influence of Voids on the Impact Mechanical Behavior of NiTi Shape-Memory Alloy. Materials 2021, 14, 4020. https://doi.org/10.3390/ma14144020
Wu Z, Chen X, Fu T, Zheng H, Zhao Y. Molecular Dynamics Investigation of the Influence of Voids on the Impact Mechanical Behavior of NiTi Shape-Memory Alloy. Materials. 2021; 14(14):4020. https://doi.org/10.3390/ma14144020
Chicago/Turabian StyleWu, Zhenwei, Xiang Chen, Tao Fu, Hengwei Zheng, and Yang Zhao. 2021. "Molecular Dynamics Investigation of the Influence of Voids on the Impact Mechanical Behavior of NiTi Shape-Memory Alloy" Materials 14, no. 14: 4020. https://doi.org/10.3390/ma14144020