Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios
This study investigates the influence of FCC/BCC thickness ratios on the mechanical properties of AlCoCrFeNi dual-phase high-entropy alloys (DP-HEAs) using deep learning-enhanced molecular dynamics simulations. The results demonstrate that varying the thickness ratio significantly affects the stress...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-11-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S223878542402595X |
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| author | Shin-Pon Ju Pin-Xiang Huang Hui-Lung Chen Hsin-Tsung Chen Hsing-Yin Chen Dong-Yeh Wu |
| author_facet | Shin-Pon Ju Pin-Xiang Huang Hui-Lung Chen Hsin-Tsung Chen Hsing-Yin Chen Dong-Yeh Wu |
| author_sort | Shin-Pon Ju |
| collection | DOAJ |
| description | This study investigates the influence of FCC/BCC thickness ratios on the mechanical properties of AlCoCrFeNi dual-phase high-entropy alloys (DP-HEAs) using deep learning-enhanced molecular dynamics simulations. The results demonstrate that varying the thickness ratio significantly affects the stress-strain behavior, dislocation density evolution, and local structural transformations during tensile deformation. DP_0.5, with a thinner BCC phase, exhibits higher dislocation densities and enhanced strain hardening, resulting in increased strength but reduced ductility. In contrast, DP_3.0, with a thicker BCC phase, shows lower dislocation densities, leading to improved ductility but lower strength. The phase transformation from BCC to HCP structures is a key mechanism contributing to plastic deformation, with the BCC/FCC interface playing a critical role in dislocation nucleation and propagation. These findings provide valuable insights into optimizing the microstructural design of DP-HEAs to achieve a tailored balance of strength and ductility, offering the potential for advanced structural applications. |
| format | Article |
| id | doaj-art-90fd948e3efc458f8f869b9039bcd50a |
| institution | Kabale University |
| issn | 2238-7854 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-90fd948e3efc458f8f869b9039bcd50a2024-12-26T08:55:26ZengElsevierJournal of Materials Research and Technology2238-78542024-11-013368106819Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratiosShin-Pon Ju0Pin-Xiang Huang1Hui-Lung Chen2Hsin-Tsung Chen3Hsing-Yin Chen4Dong-Yeh Wu5Department of Mechanical and Electro-Mechanical Engineering, National Sun Yat-sen University, Kaohsiung, 804, Taiwan; Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung, 80708, TaiwanDepartment of Mechanical and Electro-Mechanical Engineering, National Sun Yat-sen University, Kaohsiung, 804, TaiwanDepartment of Chemistry and Institute of Applied Chemistry, Chinese Culture University, Taipei, 111, Taiwan; Corresponding author.Department of Chemistry R&D Center for Membrane Technology and Research Center for Semiconductor Materials and Advanced Optics Chung Yuan Christian University, Chungli District, Taoyuan City, 320314, Taiwan; Corresponding author.Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung, 80708, TaiwanDepartment of Mechanical and Electro-Mechanical Engineering, National Sun Yat-sen University, Kaohsiung, 804, TaiwanThis study investigates the influence of FCC/BCC thickness ratios on the mechanical properties of AlCoCrFeNi dual-phase high-entropy alloys (DP-HEAs) using deep learning-enhanced molecular dynamics simulations. The results demonstrate that varying the thickness ratio significantly affects the stress-strain behavior, dislocation density evolution, and local structural transformations during tensile deformation. DP_0.5, with a thinner BCC phase, exhibits higher dislocation densities and enhanced strain hardening, resulting in increased strength but reduced ductility. In contrast, DP_3.0, with a thicker BCC phase, shows lower dislocation densities, leading to improved ductility but lower strength. The phase transformation from BCC to HCP structures is a key mechanism contributing to plastic deformation, with the BCC/FCC interface playing a critical role in dislocation nucleation and propagation. These findings provide valuable insights into optimizing the microstructural design of DP-HEAs to achieve a tailored balance of strength and ductility, offering the potential for advanced structural applications.http://www.sciencedirect.com/science/article/pii/S223878542402595XDual-phase high-entropy alloysFCC/BCC thickness ratioDeep learning molecular dynamicsDislocation densityPhase transformationMechanical properties |
| spellingShingle | Shin-Pon Ju Pin-Xiang Huang Hui-Lung Chen Hsin-Tsung Chen Hsing-Yin Chen Dong-Yeh Wu Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios Journal of Materials Research and Technology Dual-phase high-entropy alloys FCC/BCC thickness ratio Deep learning molecular dynamics Dislocation density Phase transformation Mechanical properties |
| title | Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios |
| title_full | Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios |
| title_fullStr | Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios |
| title_full_unstemmed | Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios |
| title_short | Tailoring strength and ductility in dual-phase high-entropy alloys: Insights from deep learning molecular dynamics simulation on FCC/BCC thickness ratios |
| title_sort | tailoring strength and ductility in dual phase high entropy alloys insights from deep learning molecular dynamics simulation on fcc bcc thickness ratios |
| topic | Dual-phase high-entropy alloys FCC/BCC thickness ratio Deep learning molecular dynamics Dislocation density Phase transformation Mechanical properties |
| url | http://www.sciencedirect.com/science/article/pii/S223878542402595X |
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