Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers
High entropy alloys (HEAs) in the solid solution (SS) phase have attracted much attention due to their novel strengthening mechanisms. Recent studies have shown that introducing nanoscale precipitates/fillers can further strengthen the SS HEAs. In this work, we performed large-scale molecular dynami...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-10-01
|
| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0168668 |
| _version_ | 1797634167361503232 |
|---|---|
| author | Ping Liu Shuai Chen Qing-Xiang Pei Zachary H. Aitken Wanghui Li Yong-Wei Zhang |
| author_facet | Ping Liu Shuai Chen Qing-Xiang Pei Zachary H. Aitken Wanghui Li Yong-Wei Zhang |
| author_sort | Ping Liu |
| collection | DOAJ |
| description | High entropy alloys (HEAs) in the solid solution (SS) phase have attracted much attention due to their novel strengthening mechanisms. Recent studies have shown that introducing nanoscale precipitates/fillers can further strengthen the SS HEAs. In this work, we performed large-scale molecular dynamics simulations of AlxCoCuFeNi HEAs filled with randomly distributed AlNi3 nanoparticles. The effects of AlNi3 particle size and volume fraction, the chemical composition of the HEA matrix, and temperature on the mechanical properties, deformation, and failure behavior of the composite are systematically investigated. Our simulations show that, remarkably, the AlNi3 nanoparticles can simultaneously enhance the ultimate tensile strength and ultimate tensile strain of the composite. The underlying mechanism is that the AlNi3 nanoparticles greatly suppressed the phase change and dislocation appearance in the HEA matrix, resulting in a delayed material failure during the deformation. We also find that Young’s modulus, ultimate tensile strength, and ultimate tensile strain follow the lower-bound of the rule of mixtures and further present the underlying reason for this lower-bound relation. The present work not only provides insights into the mechanical properties, deformation, and failure behavior of AlNi3 nanoparticle-reinforced AlxCoCuFeNi HEAs but is also useful for guiding the rational design of HEAs for engineering applications. |
| first_indexed | 2024-03-11T12:04:49Z |
| format | Article |
| id | doaj.art-7db42556ae314b688b17acb0bea43db3 |
| institution | Directory Open Access Journal |
| issn | 2166-532X |
| language | English |
| last_indexed | 2024-03-11T12:04:49Z |
| publishDate | 2023-10-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | APL Materials |
| spelling | doaj.art-7db42556ae314b688b17acb0bea43db32023-11-07T17:27:29ZengAIP Publishing LLCAPL Materials2166-532X2023-10-011110101113101113-1110.1063/5.0168668Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillersPing Liu0Shuai Chen1Qing-Xiang Pei2Zachary H. Aitken3Wanghui Li4Yong-Wei Zhang5Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of SingaporeMaterials Genome Institute, Shanghai University, Shanghai 200444, ChinaInstitute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of SingaporeInstitute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of SingaporeInstitute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of SingaporeInstitute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of SingaporeHigh entropy alloys (HEAs) in the solid solution (SS) phase have attracted much attention due to their novel strengthening mechanisms. Recent studies have shown that introducing nanoscale precipitates/fillers can further strengthen the SS HEAs. In this work, we performed large-scale molecular dynamics simulations of AlxCoCuFeNi HEAs filled with randomly distributed AlNi3 nanoparticles. The effects of AlNi3 particle size and volume fraction, the chemical composition of the HEA matrix, and temperature on the mechanical properties, deformation, and failure behavior of the composite are systematically investigated. Our simulations show that, remarkably, the AlNi3 nanoparticles can simultaneously enhance the ultimate tensile strength and ultimate tensile strain of the composite. The underlying mechanism is that the AlNi3 nanoparticles greatly suppressed the phase change and dislocation appearance in the HEA matrix, resulting in a delayed material failure during the deformation. We also find that Young’s modulus, ultimate tensile strength, and ultimate tensile strain follow the lower-bound of the rule of mixtures and further present the underlying reason for this lower-bound relation. The present work not only provides insights into the mechanical properties, deformation, and failure behavior of AlNi3 nanoparticle-reinforced AlxCoCuFeNi HEAs but is also useful for guiding the rational design of HEAs for engineering applications.http://dx.doi.org/10.1063/5.0168668 |
| spellingShingle | Ping Liu Shuai Chen Qing-Xiang Pei Zachary H. Aitken Wanghui Li Yong-Wei Zhang Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers APL Materials |
| title | Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers |
| title_full | Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers |
| title_fullStr | Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers |
| title_full_unstemmed | Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers |
| title_short | Simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates/fillers |
| title_sort | simultaneously enhancing the tensile strength and ductility of high entropy alloys by nanoscale precipitates fillers |
| url | http://dx.doi.org/10.1063/5.0168668 |
| work_keys_str_mv | AT pingliu simultaneouslyenhancingthetensilestrengthandductilityofhighentropyalloysbynanoscaleprecipitatesfillers AT shuaichen simultaneouslyenhancingthetensilestrengthandductilityofhighentropyalloysbynanoscaleprecipitatesfillers AT qingxiangpei simultaneouslyenhancingthetensilestrengthandductilityofhighentropyalloysbynanoscaleprecipitatesfillers AT zacharyhaitken simultaneouslyenhancingthetensilestrengthandductilityofhighentropyalloysbynanoscaleprecipitatesfillers AT wanghuili simultaneouslyenhancingthetensilestrengthandductilityofhighentropyalloysbynanoscaleprecipitatesfillers AT yongweizhang simultaneouslyenhancingthetensilestrengthandductilityofhighentropyalloysbynanoscaleprecipitatesfillers |