Molecular Dynamics Simulation Study of Aluminum–Copper Alloys’ Anisotropy under Different Loading Conditions and Different Crystal Orientations
Abstract
:1. Introduction
2. Method and Modeling
3. Results and Discussion
3.1. Mechanical Property Analysis
3.2. Plastic Deformation Mechanism Analysis
3.2.1. Tensile Deformation Mechanism Analysis
3.2.2. Compressive Deformation Mechanism Analysis
3.2.3. Analysis of the Mechanism of the Loading Methods’ Impact on Mechanical Properties
4. Conclusions
- (1)
- The Al–4%Cu alloy exhibits significant anisotropy under loading in different directions. The elastic modulus and yield strength are the highest under tension along the <> direction. The trend is completely opposite under compression. Al–4%Cu alloy also shows significant differences under different loading conditions. However, the <> direction is not sensitive to the loading condition, and the yield strength is basically the same under tension and compression.
- (2)
- Changes in atomic structure and atomic potential energy of Al–4%Cu alloy crystals under loading in different directions indicate that crystals under loading in different directions have a single FCC structure in the elastic stage and dislocation glide generates stacking faults in the plastic deformation stage. High-potential energy atoms are mainly concentrated at the stacking faults and dislocation entanglements.
- (3)
- Under tension along the <> direction, the close-packed plane of atoms leads to large atomic binding forces, which results in a high yield strength. In addition, the Stair-rod dislocation forms a Lomer–Cottrell dislocation lock, which has a strengthening effect on the material. Periodic arrangement of HCP atomic planes appears under tension along the <> direction. That is, the deformation mechanism is dominated by stacking faults. That is because the loose atomic arrangement of the <110> plane could easily lead to atomic misalignment.
- (4)
- When compressed in different directions, the plastic deformation mechanism is mainly dominated by dislocations and stacking faults. When compressed along the <> direction, it has a relatively high dislocation density. That should be attributed to the facts below. As the atomic arrangement of the <> plane itself was not dense originally, compression loading would cause an increasingly denser arrangement. In such a case, the stress could only be released through dislocations. Therefore, the yield strength along <> is the largest.
- (5)
- Changes in dislocation density are closely related to the microstructure and stress of the alloy. In the case of dislocation multiplication, as dislocation density increases, stress decreases. When dislocation density stabilizes, stress increases, as there is no new dislocation nucleation. During the tension or compression loading process, the higher the dislocation density along the loading direction, the larger the rheological stress in the plastic deformation stage in that loading direction, which is consistent with the dislocation strengthening theory.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Loading Direction and Method | Yield Strength (GPa) | Yield Strain (%) |
---|---|---|
<> (Tension) | 3.45 | 5.90 |
<> (Tension) | 4.15 | 7.90 |
<110> (Tension) | 2.60 | 5.50 |
<> (Compression) | 5.00 | 5.90 |
<> (Compression) | 4.10 | 4.40 |
<110> (Compression) | 8.00 | 6.70 |
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Wu, X.; Zhang, W. Molecular Dynamics Simulation Study of Aluminum–Copper Alloys’ Anisotropy under Different Loading Conditions and Different Crystal Orientations. Materials 2024, 17, 4162. https://doi.org/10.3390/ma17164162
Wu X, Zhang W. Molecular Dynamics Simulation Study of Aluminum–Copper Alloys’ Anisotropy under Different Loading Conditions and Different Crystal Orientations. Materials. 2024; 17(16):4162. https://doi.org/10.3390/ma17164162
Chicago/Turabian StyleWu, Xiaodong, and Wenkang Zhang. 2024. "Molecular Dynamics Simulation Study of Aluminum–Copper Alloys’ Anisotropy under Different Loading Conditions and Different Crystal Orientations" Materials 17, no. 16: 4162. https://doi.org/10.3390/ma17164162