Plasticity and phase transition in ramp-compressed single-crystal zirconium
Non-Equilibrium Molecular Dynamics Simulations have been used to investigate plasticity and phase transition in single-crystal zirconium under ramp compression, with piston maximum velocities ranging from 600 to 1400m. s ^−1 . The zirconium is found to yield via twinning deformation. Then, a direct...
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IOP Publishing
2024-01-01
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| Series: | Journal of Physics Communications |
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| Online Access: | https://doi.org/10.1088/2399-6528/ad838f |
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| author | I Adamou N Amadou M A Nassirou Hassan A Moussa Hassane A Batouré |
| author_facet | I Adamou N Amadou M A Nassirou Hassan A Moussa Hassane A Batouré |
| author_sort | I Adamou |
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| description | Non-Equilibrium Molecular Dynamics Simulations have been used to investigate plasticity and phase transition in single-crystal zirconium under ramp compression, with piston maximum velocities ranging from 600 to 1400m. s ^−1 . The zirconium is found to yield via twinning deformation. Then, a direct transition from the α -phase to the high-pressure β -phase is observed, in agreement with recent experimental observations, under picosecond laser compression using ultrafast x-ray diffraction diagnostics. As the maximum ramp velocity is increased from 600 to 1400m. s ^−1 , the onset pressure of the phase transition is found to evolve from 22.6 ± 0.15 to 24.1 ± 0.4 GPa while the increase in the temperature behind the phase transition front varies from 179 ± 6 to 784 ± 48 K. The mechanism of this transition at the atomic level is consistent with the Burgers mechanism. Since the transition occurs after twinning plastic deformation, a sizeable fraction of fcc atoms is observed, which increases as the ramp evolves into a shock wave. These observations are consistent with previous theoretical simulations and experiments and contribute to understanding the response of single-crystal zirconium under dynamic compression. |
| format | Article |
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| institution | OA Journals |
| issn | 2399-6528 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | IOP Publishing |
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| series | Journal of Physics Communications |
| spelling | doaj-art-4b2f5aee16a54ec4ad2d46c56a8933192025-08-20T02:17:06ZengIOP PublishingJournal of Physics Communications2399-65282024-01-0181010500310.1088/2399-6528/ad838fPlasticity and phase transition in ramp-compressed single-crystal zirconiumI Adamou0N Amadou1https://orcid.org/0000-0001-5559-3788M A Nassirou Hassan2https://orcid.org/0009-0003-3650-9677A Moussa Hassane3A Batouré4Département de Physique, Université Abdou Moumouni de Niamey , BP. 10662, Niamey, NigerDépartement de Physique, Université Abdou Moumouni de Niamey , BP. 10662, Niamey, NigerDépartement de Physique, Université Abdou Moumouni de Niamey , BP. 10662, Niamey, NigerDépartement de Physique, Université Abdou Moumouni de Niamey , BP. 10662, Niamey, NigerDépartement de Physique, Université Abdou Moumouni de Niamey , BP. 10662, Niamey, NigerNon-Equilibrium Molecular Dynamics Simulations have been used to investigate plasticity and phase transition in single-crystal zirconium under ramp compression, with piston maximum velocities ranging from 600 to 1400m. s ^−1 . The zirconium is found to yield via twinning deformation. Then, a direct transition from the α -phase to the high-pressure β -phase is observed, in agreement with recent experimental observations, under picosecond laser compression using ultrafast x-ray diffraction diagnostics. As the maximum ramp velocity is increased from 600 to 1400m. s ^−1 , the onset pressure of the phase transition is found to evolve from 22.6 ± 0.15 to 24.1 ± 0.4 GPa while the increase in the temperature behind the phase transition front varies from 179 ± 6 to 784 ± 48 K. The mechanism of this transition at the atomic level is consistent with the Burgers mechanism. Since the transition occurs after twinning plastic deformation, a sizeable fraction of fcc atoms is observed, which increases as the ramp evolves into a shock wave. These observations are consistent with previous theoretical simulations and experiments and contribute to understanding the response of single-crystal zirconium under dynamic compression.https://doi.org/10.1088/2399-6528/ad838fdynamic compressionMolecular Dynamicsphase transitionplasticityzirconiumtwinning |
| spellingShingle | I Adamou N Amadou M A Nassirou Hassan A Moussa Hassane A Batouré Plasticity and phase transition in ramp-compressed single-crystal zirconium Journal of Physics Communications dynamic compression Molecular Dynamics phase transition plasticity zirconium twinning |
| title | Plasticity and phase transition in ramp-compressed single-crystal zirconium |
| title_full | Plasticity and phase transition in ramp-compressed single-crystal zirconium |
| title_fullStr | Plasticity and phase transition in ramp-compressed single-crystal zirconium |
| title_full_unstemmed | Plasticity and phase transition in ramp-compressed single-crystal zirconium |
| title_short | Plasticity and phase transition in ramp-compressed single-crystal zirconium |
| title_sort | plasticity and phase transition in ramp compressed single crystal zirconium |
| topic | dynamic compression Molecular Dynamics phase transition plasticity zirconium twinning |
| url | https://doi.org/10.1088/2399-6528/ad838f |
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