A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline
Polycrystalline materials are essential in engineering due to their ability to withstand various forces, heat, and environmental conditions. The arrangement of atoms within these crystals significantly affects their mechanical properties. This study used molecular dynamics simulations to explore how...
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| Language: | English |
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Elsevier
2024-12-01
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| Series: | Results in Engineering |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123024011344 |
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| author | Ali B.M. Ali Dheyaa J. Jasim As'ad Alizadeh Choon Kit Chan Soheil Salahshour Maboud Hekmatifar |
| author_facet | Ali B.M. Ali Dheyaa J. Jasim As'ad Alizadeh Choon Kit Chan Soheil Salahshour Maboud Hekmatifar |
| author_sort | Ali B.M. Ali |
| collection | DOAJ |
| description | Polycrystalline materials are essential in engineering due to their ability to withstand various forces, heat, and environmental conditions. The arrangement of atoms within these crystals significantly affects their mechanical properties. This study used molecular dynamics simulations to explore how initial pressure affects the mechanical resilience of aluminum polycrystals. Aluminum composite materials, known for their strength, flexibility, and environmental sustainability, are the focus of this investigation. We particularly investigated stress-strain reactions at 1, 2, and 3 bar initial pressures. Reduced free volume causes atomic migration to be hampered as pressure increases, therefore affecting mean square displacement and diffusion coefficient. The results show that ultimate strength and Young's modulus of the polycrystalline samples were 30 and 6.64 GPa at 1 bar pressure. Moreover, the results demonstrated a notable decrease in mechanical performance by increasing pressure; the ultimate strength and Young's modulus of the polycrystalline samples diminished to 5.66 GPa and 22.43 GPa, respectively, at 3 bar. Furthermore, the heat flux increased by rising initial pressure in the Al-polycrystalline sample due to the compression of material that reduced atomic distances. This improved atomic arrangement facilitated more efficient heat transfer. These insights are essential for engineering applications, as they establish a foundation for the production of aluminum components that maintain structural integrity in the face of extreme conditions. |
| format | Article |
| id | doaj-art-ffbe4c8fdda34986856baa69ac92fb9c |
| institution | OA Journals |
| issn | 2590-1230 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Engineering |
| spelling | doaj-art-ffbe4c8fdda34986856baa69ac92fb9c2025-08-20T01:58:31ZengElsevierResults in Engineering2590-12302024-12-012410287910.1016/j.rineng.2024.102879A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystallineAli B.M. Ali0Dheyaa J. Jasim1As'ad Alizadeh2Choon Kit Chan3Soheil Salahshour4Maboud Hekmatifar5Air Conditioning Engineering Department, College of Engineering, University of Warith Al-Anbiyaa, Karbala, IraqDepartment of Petroleum Engineering, Al-Amarah University College, Maysan, IraqDepartment of Civil Engineering, College of Engineering, Cihan University-Erbil, Erbil, IraqFaculty of Engineering and Quantity Surveying, INTI International University, Persiaran Perdana BBN, 71800, Nilai, Negeri Sembilan, MalaysiaFaculty of Engineering and Natural Sciences, Istanbul Okan University, Istanbul, Turkey; Faculty of Engineering and Natural Sciences, Bahcesehir University, Istanbul, Turkey; Department of Computer Science and Mathematics, Lebanese American University, Beirut, LebanonNew Technologies Research Center, Amirkabir University of Technology, Tehran, Iran; Corresponding author.Polycrystalline materials are essential in engineering due to their ability to withstand various forces, heat, and environmental conditions. The arrangement of atoms within these crystals significantly affects their mechanical properties. This study used molecular dynamics simulations to explore how initial pressure affects the mechanical resilience of aluminum polycrystals. Aluminum composite materials, known for their strength, flexibility, and environmental sustainability, are the focus of this investigation. We particularly investigated stress-strain reactions at 1, 2, and 3 bar initial pressures. Reduced free volume causes atomic migration to be hampered as pressure increases, therefore affecting mean square displacement and diffusion coefficient. The results show that ultimate strength and Young's modulus of the polycrystalline samples were 30 and 6.64 GPa at 1 bar pressure. Moreover, the results demonstrated a notable decrease in mechanical performance by increasing pressure; the ultimate strength and Young's modulus of the polycrystalline samples diminished to 5.66 GPa and 22.43 GPa, respectively, at 3 bar. Furthermore, the heat flux increased by rising initial pressure in the Al-polycrystalline sample due to the compression of material that reduced atomic distances. This improved atomic arrangement facilitated more efficient heat transfer. These insights are essential for engineering applications, as they establish a foundation for the production of aluminum components that maintain structural integrity in the face of extreme conditions.http://www.sciencedirect.com/science/article/pii/S2590123024011344Al polycrystalStress-strain curveInitial pressureMolecular dynamics simulationProduct innovation |
| spellingShingle | Ali B.M. Ali Dheyaa J. Jasim As'ad Alizadeh Choon Kit Chan Soheil Salahshour Maboud Hekmatifar A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline Results in Engineering Al polycrystal Stress-strain curve Initial pressure Molecular dynamics simulation Product innovation |
| title | A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline |
| title_full | A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline |
| title_fullStr | A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline |
| title_full_unstemmed | A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline |
| title_short | A molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline |
| title_sort | molecular dynamics study of the effect of initial pressure on the mechanical resilience of aluminum polycrystalline |
| topic | Al polycrystal Stress-strain curve Initial pressure Molecular dynamics simulation Product innovation |
| url | http://www.sciencedirect.com/science/article/pii/S2590123024011344 |
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