Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi
The molecular dynamics method was used to simulate the microstructure dynamic evolution， dislocation， and pore motion characteristics of AlCoCrFeNi high-entropy alloy at temperature 300 K and strain rate of 1×109 s-1， and the failure mechanism was revealed. The simulation results show that the maxim...
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Journal of Materials Engineering
2024-12-01
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| Series: | Cailiao gongcheng |
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| Online Access: | https://jme.biam.ac.cn/CN/10.11868/j.issn.1001-4381.2022.001033 |
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| author | ZHANG Rong QI Wenjun |
| author_facet | ZHANG Rong QI Wenjun |
| author_sort | ZHANG Rong |
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| description | The molecular dynamics method was used to simulate the microstructure dynamic evolution， dislocation， and pore motion characteristics of AlCoCrFeNi high-entropy alloy at temperature 300 K and strain rate of 1×109 s-1， and the failure mechanism was revealed. The simulation results show that the maximum load-bearing， longitudinal modulus， and ductility of the nano-polycrystalline AlCoCrFeNi high-entropy alloy are lower than those of nano-monocrystalline. The strain reduction and peak stress reduction of nano-polycrystalline before yield are 25% and the peak stress reduction is 23.8%. The phase transition， dislocation， hole， and failure mechanism of the two nanocrystallines are different during the stretching process. During the stretching process of nano-monocrystals， the FCC structure is mainly transformed into a non-crystalline structure. The atomic position changes after the phase change， accompanied by a large number of Shorkly dislocations， and moves with the growth direction of the non-crystalline structure. The hole nucleation， growth， penetration， and failure fracture of non-crystalline structure area are mainly amorphous perforation fault. During the stretching process of nano-polycrystalline， the FCC structure mainly transforms to HCP structure and non-crystalline structure， and the atomic position changes after the phase change， accompanied by a large number of 1/6〈112〉 （Shortly） dislocations and a small number of 1/6〈110〉 （Stair-rod） dislocations， 1/3〈100〉 （Hirth） dislocations， and other dislocations continue to be generated and annihilated.The material undergoes certain plastic deformation， with nucleation of pores in the non-crystalline structure area of the grain boundary， growth and expansion along the grain boundary， and penetration through the grain boundary until failure fracture， showing mainly intergranular fracture. |
| format | Article |
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| publishDate | 2024-12-01 |
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| spelling | doaj-art-41e552e4e4074521a477cb666aa04bb62025-08-20T01:58:35ZzhoJournal of Materials EngineeringCailiao gongcheng1001-43812024-12-01521217918710.11868/j.issn.1001-4381.2022.0010331001-4381（2024）12-0179-09Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNiZHANG Rong0QI Wenjun1School of Mechanical Engineering，Xinjiang University，Urumqi 830017，ChinaSchool of Mechanical Engineering，Xinjiang University，Urumqi 830017，ChinaThe molecular dynamics method was used to simulate the microstructure dynamic evolution， dislocation， and pore motion characteristics of AlCoCrFeNi high-entropy alloy at temperature 300 K and strain rate of 1×109 s-1， and the failure mechanism was revealed. The simulation results show that the maximum load-bearing， longitudinal modulus， and ductility of the nano-polycrystalline AlCoCrFeNi high-entropy alloy are lower than those of nano-monocrystalline. The strain reduction and peak stress reduction of nano-polycrystalline before yield are 25% and the peak stress reduction is 23.8%. The phase transition， dislocation， hole， and failure mechanism of the two nanocrystallines are different during the stretching process. During the stretching process of nano-monocrystals， the FCC structure is mainly transformed into a non-crystalline structure. The atomic position changes after the phase change， accompanied by a large number of Shorkly dislocations， and moves with the growth direction of the non-crystalline structure. The hole nucleation， growth， penetration， and failure fracture of non-crystalline structure area are mainly amorphous perforation fault. During the stretching process of nano-polycrystalline， the FCC structure mainly transforms to HCP structure and non-crystalline structure， and the atomic position changes after the phase change， accompanied by a large number of 1/6〈112〉 （Shortly） dislocations and a small number of 1/6〈110〉 （Stair-rod） dislocations， 1/3〈100〉 （Hirth） dislocations， and other dislocations continue to be generated and annihilated.The material undergoes certain plastic deformation， with nucleation of pores in the non-crystalline structure area of the grain boundary， growth and expansion along the grain boundary， and penetration through the grain boundary until failure fracture， showing mainly intergranular fracture.https://jme.biam.ac.cn/CN/10.11868/j.issn.1001-4381.2022.001033molecular dynamicsalcocrfenihigh-entropy alloystructural evolutionnanocrystalline |
| spellingShingle | ZHANG Rong QI Wenjun Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi Cailiao gongcheng molecular dynamics alcocrfeni high-entropy alloy structural evolution nanocrystalline |
| title | Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi |
| title_full | Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi |
| title_fullStr | Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi |
| title_full_unstemmed | Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi |
| title_short | Dynamic structure evolution and failure mechanism of nanocrystalline AlCo-CrFeNi |
| title_sort | dynamic structure evolution and failure mechanism of nanocrystalline alco crfeni |
| topic | molecular dynamics alcocrfeni high-entropy alloy structural evolution nanocrystalline |
| url | https://jme.biam.ac.cn/CN/10.11868/j.issn.1001-4381.2022.001033 |
| work_keys_str_mv | AT zhangrong dynamicstructureevolutionandfailuremechanismofnanocrystallinealcocrfeni AT qiwenjun dynamicstructureevolutionandfailuremechanismofnanocrystallinealcocrfeni |