Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution
Nanoporous tungsten (NP–W) and molybdenum (NP–Mo) are of great interest in aerospace and nuclear fusion/fission reactor industrial sections. Molecular dynamics (MD) simulations are employed for understanding the influences of shock velocity and relative density on the shock responses of NP-W and NP-...
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Elsevier
2025-03-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785425000742 |
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| author | Yiqun Hu Zhenhai Li Xiumin Xu Yuhang Zhang Re Xia |
| author_facet | Yiqun Hu Zhenhai Li Xiumin Xu Yuhang Zhang Re Xia |
| author_sort | Yiqun Hu |
| collection | DOAJ |
| description | Nanoporous tungsten (NP–W) and molybdenum (NP–Mo) are of great interest in aerospace and nuclear fusion/fission reactor industrial sections. Molecular dynamics (MD) simulations are employed for understanding the influences of shock velocity and relative density on the shock responses of NP-W and NP-Mo with stochastic bicontinuous structural features. Thermodynamic simulations reveal that temperature changes exhibit relatively low sensitivity to variations in relative density for a given shock velocity. Conversely, pressure and shock wave velocity increase substantially with rising relative density. NP-W specimen demonstrates higher shock-induced pressures and temperatures compared to NP-Mo. The porous structure exhibits greater susceptibility to heat generation under shock loading than the bulk. Hugoniot relations reveal that the wave velocity of NP-Mo is slightly greater than that of NP-W. NP-Mo exhibits greater resistance to amorphization than NP-W at shock velocities below 2.0 km/s. Specifically, at up = 1.5 km/s and t = 50 ps, the amorphous conversion percentages of BCC atoms in NP-W/NP-Mo are 49.6%/47.0% (φ = 0.40), 58.5%/52.2% (φ = 0.50), and 68.1%/57.5% (φ = 0.60), respectively. This investigation provides a fundamental understanding of shock wave behavior exhibited by nanoporous refractory metals at atomic scales and will provide precious theoretical and design guidelines for potential industrial applications. |
| format | Article |
| id | doaj-art-9f59361004074bfa9974b8ec3e10627d |
| institution | Kabale University |
| issn | 2238-7854 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-9f59361004074bfa9974b8ec3e10627d2025-01-15T04:11:42ZengElsevierJournal of Materials Research and Technology2238-78542025-03-0135558569Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolutionYiqun Hu0Zhenhai Li1Xiumin Xu2Yuhang Zhang3Re Xia4School of Integrated Circuits, Anhui University, Hefei, 230601, China; School of Power and Mechanical Engineering, Wuhan University, Wuhan, 430072, China; Corresponding author. School of Integrated Circuits, Anhui University, Hefei, 230601, China.School of Integrated Circuits, Anhui University, Hefei, 230601, ChinaSchool of Integrated Circuits, Anhui University, Hefei, 230601, ChinaHubei Digital Manufacturing Key Laboratory, School of Mechanical and Electronic Engineering, Wuhan University of Technology, Wuhan, 430070, ChinaSchool of Power and Mechanical Engineering, Wuhan University, Wuhan, 430072, China; Corresponding author.Nanoporous tungsten (NP–W) and molybdenum (NP–Mo) are of great interest in aerospace and nuclear fusion/fission reactor industrial sections. Molecular dynamics (MD) simulations are employed for understanding the influences of shock velocity and relative density on the shock responses of NP-W and NP-Mo with stochastic bicontinuous structural features. Thermodynamic simulations reveal that temperature changes exhibit relatively low sensitivity to variations in relative density for a given shock velocity. Conversely, pressure and shock wave velocity increase substantially with rising relative density. NP-W specimen demonstrates higher shock-induced pressures and temperatures compared to NP-Mo. The porous structure exhibits greater susceptibility to heat generation under shock loading than the bulk. Hugoniot relations reveal that the wave velocity of NP-Mo is slightly greater than that of NP-W. NP-Mo exhibits greater resistance to amorphization than NP-W at shock velocities below 2.0 km/s. Specifically, at up = 1.5 km/s and t = 50 ps, the amorphous conversion percentages of BCC atoms in NP-W/NP-Mo are 49.6%/47.0% (φ = 0.40), 58.5%/52.2% (φ = 0.50), and 68.1%/57.5% (φ = 0.60), respectively. This investigation provides a fundamental understanding of shock wave behavior exhibited by nanoporous refractory metals at atomic scales and will provide precious theoretical and design guidelines for potential industrial applications.http://www.sciencedirect.com/science/article/pii/S2238785425000742Molecular dynamicsShock responsesNanoporous metalsThermodynamic statesUltra-high strain rate |
| spellingShingle | Yiqun Hu Zhenhai Li Xiumin Xu Yuhang Zhang Re Xia Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution Journal of Materials Research and Technology Molecular dynamics Shock responses Nanoporous metals Thermodynamic states Ultra-high strain rate |
| title | Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution |
| title_full | Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution |
| title_fullStr | Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution |
| title_full_unstemmed | Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution |
| title_short | Shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations: Insights into thermodynamic and structural evolution |
| title_sort | shock wave dynamics in nanoporous tungsten and molybdenum via molecular dynamics simulations insights into thermodynamic and structural evolution |
| topic | Molecular dynamics Shock responses Nanoporous metals Thermodynamic states Ultra-high strain rate |
| url | http://www.sciencedirect.com/science/article/pii/S2238785425000742 |
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