Strain-Gradient Crystal Plasticity Finite Element Modeling of Slip Band Formation in α-Zirconium
Abstract
:1. Introduction
2. Sample Preparation and Experimental Set Up
3. Crystal Plasticity Formulation and Input Model
3.1. Crystal Plasticity Constitutive Equations
3.1.1. Method I
3.1.2. Method II
3.2. Input Models
3.2.1. Single Crystal
3.2.2. Polycrystal
4. Results
4.1. Single Crystal
4.2. Polycrystal
4.2.1. GND Density and Slip Activity
4.2.2. Stress
4.2.3. Lattice Rotations
5. Discussion
6. Conclusions
- The GND maps calculated from the strain-gradient CPFE models using both methods show formation of localized GND lines within the grains of the polycrystal. These GND lines are parallel to the slip bands observed in the deformed specimen using electron microscopy. The slip bands can also be seen in the CPFE-calculated shear strain maps.
- The use of the minimization-based approach for the determination of GND densities (Method II) leads to a uniform distribution of GNDs on all slip systems, whereas when the direct approach (Method I) is used, the magnitude of the calculated GNDs on each slip system is proportional to the plastic shear strain accumulated on the same slip system.
- Although the magnitudes of GND densities are different from the two methods, the trends observed for the calculated grain-scale stresses and lattice rotations are the same. This is because for the studied microstructure, where the average grain size is 50 µm, the calculated total dislocation density, GND plus SSD, from the two methods is almost the same.
- When a smaller grain size is used, the calculated average stresses from the two methods are different. The critical grain size below which the geometrical effects become significant is higher in Method II, compared to Method I.
- The dislocation-based hardening law used here is SSD driven for larger grains and GND driven for smaller grains, and accurate implementation of both mechanisms is important when different grain sizes exist in the microstructure.
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Prism | Basal | Pyramidal | ||
---|---|---|---|---|
n | 20 | 20 | 20 | |
3.5 × 10−4 | 3.5 × 10−4 | 1.0 × 10−4 | ||
(self) | 1 | 1 | 1 | |
(t = prism) | 1 | 1 | 0 | |
(t = basal) | 1 | 1 | 0 | |
(t = pyramidal) | 0 | 0 | 1 | |
Burgers vector (nm) | 0.323 | 0.323 | 0.608 | |
0.109 | 0.146 | 0.292 | ||
95 | 135 | 266 | ||
MI | 0.07 | 0.07 | 0.30 | |
5 | 5 | 10 | ||
MII | 0.05 | 0.05 | 0.30 | |
5 | 5 | 10 |
Grain ID | GND Method | Cumulative Resolved Shear Strain | GND Density m−2 | |||||
---|---|---|---|---|---|---|---|---|
Prism | Basal | Pyr | Prism | Basal | Pyr | Total | ||
1 | I | 4.8 × 10−2 | 3.6 × 10−3 | <10−4 | 1.6 × 1011 | 1.5 × 109 | 1.3 × 106 | 1.6 × 1011 |
II | 4.4 × 10−2 | 2.4 × 10−3 | <10−4 | 3.8 × 1011 | 3.8 × 1011 | 2.1 × 1012 | 2.9 × 1012 | |
2 | I | 2.4 × 10−2 | 1.2 × 10−3 | <10−4 | 3.7 × 109 | 1.4 × 108 | 4.1 × 105 | 3.9 × 109 |
II | 2.3 × 10−2 | 1.1 × 10−3 | <10−4 | 1.8 × 1011 | 1.8 × 1011 | 9.1 × 1011 | 9.5 × 1011 | |
3 | I | 7.0 × 10−2 | 3.2 × 10−2 | <10−4 | 1.2 × 1010 | 1.4 × 1010 | 4.5 × 106 | 2.6 × 1010 |
II | 6.9 × 10−2 | 3.0 × 10−2 | <10−4 | 1.9 × 1012 | 1.9 × 1012 | 8.8 × 1012 | 1.3 × 1013 | |
4 | I | 1.1 × 10−1 | 5.5 × 10−3 | <10−4 | 7.7 × 1010 | 5.1 × 109 | 9.2 × 107 | 8.2 × 1010 |
II | 1.2 × 10−1 | 5.3 × 10−3 | <10−4 | 2.1 × 1012 | 2.1 × 1012 | 1.2 × 1013 | 1.6 × 1013 | |
5 | I | 2.4 × 10−2 | 1.2 × 10−3 | 1.2 × 10−4 | 2.6 × 109 | 1.2 × 109 | 4.5 × 108 | 4.3 × 109 |
II | 2.3 × 10−2 | 0.9 × 10−3 | 1.1 × 10−4 | 4.2 × 1011 | 4.2 × 1011 | 2.5 × 1012 | 3.3 × 1012 |
Implementation | Lower-order non-local CPFE | Both methods can be implemented, but the implementation of Method I is more straightforward than Method II |
Higher-order non-local CPFE | Only Method I | |
Performance | Total GND density | Results from Method II are closer to those measured with HR-EBSD. |
GND density on each slip system | Method I: the calculated values are proportional to the cumulative slip for each slip variant Method II: almost equal for all slip systems |
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Sedaghat, O.; Abdolvand, H. Strain-Gradient Crystal Plasticity Finite Element Modeling of Slip Band Formation in α-Zirconium. Crystals 2021, 11, 1382. https://doi.org/10.3390/cryst11111382
Sedaghat O, Abdolvand H. Strain-Gradient Crystal Plasticity Finite Element Modeling of Slip Band Formation in α-Zirconium. Crystals. 2021; 11(11):1382. https://doi.org/10.3390/cryst11111382
Chicago/Turabian StyleSedaghat, Omid, and Hamidreza Abdolvand. 2021. "Strain-Gradient Crystal Plasticity Finite Element Modeling of Slip Band Formation in α-Zirconium" Crystals 11, no. 11: 1382. https://doi.org/10.3390/cryst11111382