Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method
The crack propagation mechanism of Al<sub>0.1</sub>CoCrFeNi high-entropy alloy (HEA) was investigated with the molecular dynamics method. The pre-crack propagation and stretching processes of single-crystal Al<sub>0.1</sub>CoCrFeNi HEA and Al<sub>0.1</sub>CoCrFeNi...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-12-01
|
| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/1/11 |
| _version_ | 1797444129141030912 |
|---|---|
| author | Cuixia Liu Yu Yao |
| author_facet | Cuixia Liu Yu Yao |
| author_sort | Cuixia Liu |
| collection | DOAJ |
| description | The crack propagation mechanism of Al<sub>0.1</sub>CoCrFeNi high-entropy alloy (HEA) was investigated with the molecular dynamics method. The pre-crack propagation and stretching processes of single-crystal Al<sub>0.1</sub>CoCrFeNi HEA and Al<sub>0.1</sub>CoCrFeNi HEA with grain boundaries were simulated. The effects of strain rates and different crystal structures on the crack propagation of the alloy therein at room temperature were studied. They both exhibited plastic deformation and ductile fracturing, and the crack tip involved dislocations at 45° and 135° under the tensile stress. The dislocations formed in the intrinsic-stacking fault and stacking fault based on hexagonal closely packed structures spread and then accumulated near the grain boundary. At the position where hexagonal closely packed structures were accumulated, the dent was obviously serious at the 1/3 position of the alloy where the fracturing finally occurred. The yield strength for Al<sub>0.1</sub>CoCrFeNi HEA with grain boundaries was lower than that of the single-crystal Al<sub>0.1</sub>CoCrFeNi HEA. However, Young’s moduli for Al<sub>0.1</sub>CoCrFeNi HEA with grain boundaries were higher than those of the single-crystal Al<sub>0.1</sub>CoCrFeNi HEA. The grain boundaries can be used as the emission source of dislocations, and it is easier to form dislocations in the-single crystal Al<sub>0.1</sub>CoCrFeNi HEA, but the existence of grain boundaries hinders the slippage of dislocations. |
| first_indexed | 2024-03-09T13:08:06Z |
| format | Article |
| id | doaj.art-db06d0a8ac0b451386b78b61beec1c76 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-09T13:08:06Z |
| publishDate | 2022-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-db06d0a8ac0b451386b78b61beec1c762023-11-30T21:46:45ZengMDPI AGCrystals2073-43522022-12-011311110.3390/cryst13010011Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics MethodCuixia Liu0Yu Yao1School of Materials Science and Chemical Engineering, Xi’an Technological University, Xi’an 710021, ChinaJiangsu Longda Superalloy Co., Ltd., Wuxi 214105, ChinaThe crack propagation mechanism of Al<sub>0.1</sub>CoCrFeNi high-entropy alloy (HEA) was investigated with the molecular dynamics method. The pre-crack propagation and stretching processes of single-crystal Al<sub>0.1</sub>CoCrFeNi HEA and Al<sub>0.1</sub>CoCrFeNi HEA with grain boundaries were simulated. The effects of strain rates and different crystal structures on the crack propagation of the alloy therein at room temperature were studied. They both exhibited plastic deformation and ductile fracturing, and the crack tip involved dislocations at 45° and 135° under the tensile stress. The dislocations formed in the intrinsic-stacking fault and stacking fault based on hexagonal closely packed structures spread and then accumulated near the grain boundary. At the position where hexagonal closely packed structures were accumulated, the dent was obviously serious at the 1/3 position of the alloy where the fracturing finally occurred. The yield strength for Al<sub>0.1</sub>CoCrFeNi HEA with grain boundaries was lower than that of the single-crystal Al<sub>0.1</sub>CoCrFeNi HEA. However, Young’s moduli for Al<sub>0.1</sub>CoCrFeNi HEA with grain boundaries were higher than those of the single-crystal Al<sub>0.1</sub>CoCrFeNi HEA. The grain boundaries can be used as the emission source of dislocations, and it is easier to form dislocations in the-single crystal Al<sub>0.1</sub>CoCrFeNi HEA, but the existence of grain boundaries hinders the slippage of dislocations.https://www.mdpi.com/2073-4352/13/1/11high-entropy alloycrack propagationmolecular dynamicsdislocation |
| spellingShingle | Cuixia Liu Yu Yao Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method Crystals high-entropy alloy crack propagation molecular dynamics dislocation |
| title | Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method |
| title_full | Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method |
| title_fullStr | Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method |
| title_full_unstemmed | Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method |
| title_short | Study of Crack-Propagation Mechanism of Al<sub>0.1</sub>CoCrFeNi High-Entropy Alloy by Molecular Dynamics Method |
| title_sort | study of crack propagation mechanism of al sub 0 1 sub cocrfeni high entropy alloy by molecular dynamics method |
| topic | high-entropy alloy crack propagation molecular dynamics dislocation |
| url | https://www.mdpi.com/2073-4352/13/1/11 |
| work_keys_str_mv | AT cuixialiu studyofcrackpropagationmechanismofalsub01subcocrfenihighentropyalloybymoleculardynamicsmethod AT yuyao studyofcrackpropagationmechanismofalsub01subcocrfenihighentropyalloybymoleculardynamicsmethod |