Dislocation Interactions with Hcp- and χ-Phase Particles in Tungsten: Molecular Dynamics Insights into Mechanical Strengthening Mechanisms
Abstract
:1. Introduction
2. Materials and Methods
3. Results and Discussion
4. Conclusions
- Particle Shape and Size Effects: Cylindrical particles require approximately 20% higher critical shear stresses compared to spherical particles, indicating that particle shape significantly influences dislocation behaviour. The critical shear stress increases almost linearly with particle diameter.
- Temperature Effects: The influence of temperature on critical shear stress is more pronounced for χ-phase particles than for hcp-phase particles. Higher temperatures generally reduce the critical shear stress required for dislocation movement, highlighting the thermally activated nature of these interactions.
- Cell Size Effects: Reducing the cell size along the y-axis increases the critical shear stress, demonstrating the importance of spatial constraints on dislocation dynamics.
- Material Composition: The study confirms that hcp-phase particles, composed entirely of Re atoms, present stronger obstacles to dislocations than χ-phase particles, which contain a mix of W and Re atoms. This is attributed to the greater local lattice distortion around hcp-phase particles.
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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NO | Lx, nm | Ly, nm | D, nm |
---|---|---|---|
Spherical particle | |||
1 | 10 | 55 | 3 |
2 | 20 | 55 | 3 |
3 | 20 | 55 | 5 |
Cylindrical particle | |||
4 | 10 | 55 | 1 |
5 | 20 | 55 | 1 |
6 | 10 | 55 | 2 |
7 | 20 | 55 | 2 |
8 | 10 | 55 | 3 |
9 | 20 | 55 | 3 |
10 | 20 | 35 | 3 |
11 | 20 | 15 | 3 |
NO | Lx, nm | Ly, nm | D, nm |
---|---|---|---|
Spherical particle | |||
1 | 10 | 55 | 3 |
2 | 20 | 55 | 3 |
Cylindrical particle | |||
3 | 10 | 55 | 1 |
4 | 20 | 55 | 1 |
5 | 10 | 55 | 2 |
6 | 20 | 55 | 2 |
7 | 10 | 55 | 3 |
8 | 20 | 55 | 3 |
9 | 20 | 35 | 3 |
10 | 20 | 15 | 3 |
NO | , MPa | ||||
---|---|---|---|---|---|
600 K | 800 K | 1000 K | 1200 K | 1400 K | |
Spherical particle | |||||
1 | 387 | 357 | 369 | 348 | 345 |
2 | 368 | 380 | 343 | 355 | 343 |
3 | 483 | 461 | 482 | 441 | 460 |
Cylindrical particle | |||||
4 | 166 | 160 | 177 | 145 | 171 |
5 | 181 | 183 | 187 | 154 | 169 |
6 | 293 | 294 | 258 | 269 | 257 |
7 | 271 | 239 | 303 | 252 | 305 |
8 | 443 | 456 | 464 | 472 | 377 |
9 | 416 | 412 | 396 | 418 | 416 |
10 | 619 | 590 | 596 | 566 | 588 |
11 | 1424 | 1402 | 1381 | 1348 | 1230 |
NO | , MPa | ||||
---|---|---|---|---|---|
600 K | 800 K | 1000 K | 1200 K | 1400 K | |
Spherical particle | |||||
1 | 336 | 332 | 267 | 328 | 228 |
2 | 293 | 289 | 293 | 303 | 289 |
Cylindrical particle | |||||
3 | 144 | 114 | 117 | 128 | 105 |
4 | 137 | 131 | 149 | 144 | 147 |
5 | 237 | 267 | 245 | 257 | 249 |
6 | 248 | 241 | 261 | 253 | 233 |
7 | 308 | 299 | 330 | 297 | 261 |
8 | 274 | 287 | 292 | 254 | 286 |
9 | 516 | 487 | 455 | 393 | 469 |
10 | 1015 | 1010 | 1020 | 1011 | 1008 |
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Sharapova, Y.R.; Kazakov, A.M.; Babicheva, R.I.; Semenov, A.S.; Izosimov, A.A.; Korznikova, E.A. Dislocation Interactions with Hcp- and χ-Phase Particles in Tungsten: Molecular Dynamics Insights into Mechanical Strengthening Mechanisms. Computation 2024, 12, 168. https://doi.org/10.3390/computation12080168
Sharapova YR, Kazakov AM, Babicheva RI, Semenov AS, Izosimov AA, Korznikova EA. Dislocation Interactions with Hcp- and χ-Phase Particles in Tungsten: Molecular Dynamics Insights into Mechanical Strengthening Mechanisms. Computation. 2024; 12(8):168. https://doi.org/10.3390/computation12080168
Chicago/Turabian StyleSharapova, Yu. R., A. M. Kazakov, R. I. Babicheva, A. S. Semenov, A. A. Izosimov, and E. A. Korznikova. 2024. "Dislocation Interactions with Hcp- and χ-Phase Particles in Tungsten: Molecular Dynamics Insights into Mechanical Strengthening Mechanisms" Computation 12, no. 8: 168. https://doi.org/10.3390/computation12080168