Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations
High-entropy alloy (HEA) is a new type of multi-principal alloy material and the Hf-Nb-Ta-Ti-Zr HEAs have attracted more and more attention from researchers due to their high melting point, special plasticity, and excellent corrosion resistance. In this paper, in order to reduce the density of the a...
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MDPI AG
2023-05-01
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| Online Access: | https://www.mdpi.com/1996-1944/16/11/4039 |
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| author | Zhuoheng Liang Yiming Wu Yu Miao Wei Pan Yongzhong Zhang |
| author_facet | Zhuoheng Liang Yiming Wu Yu Miao Wei Pan Yongzhong Zhang |
| author_sort | Zhuoheng Liang |
| collection | DOAJ |
| description | High-entropy alloy (HEA) is a new type of multi-principal alloy material and the Hf-Nb-Ta-Ti-Zr HEAs have attracted more and more attention from researchers due to their high melting point, special plasticity, and excellent corrosion resistance. In this paper, in order to reduce the density of the alloy and maintain the strength of the Hf-Nb-Ta-Ti-Zr HEAs, the effects of high-density elements Hf and Ta on the properties of HEAs were explored for the first time based on molecular dynamics simulations. A low-density and high-strength Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA suitable for laser melting deposition was designed and formed. Studies have shown that the decrease in the proportion of Ta element reduces the strength of HEA, while the decrease in Hf element increases the strength of HEA. The simultaneous decrease in the ratio of Hf and Ta elements reduces the elastic modulus and strength of HEA and leads to the coarsening of the alloy microstructure. The application of laser melting deposition (LMD) technology refines the grains and effectively solves the coarsening problem. Compared with the as-cast state, the as-deposited Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA obtained by LMD forming has obvious grain refinement (from 300 μm to 20–80 μm). At the same time, compared with the as-cast Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA (σ<sub>s</sub> = 730 ± 23 MPa), the as-deposited Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA has higher strength (σ<sub>s</sub> = 925 ± 9 MPa), which is similar to the as-cast equiatomic ratio HfNbTaTiZr HEA (σ<sub>s</sub> = 970 ± 15 MPa). |
| first_indexed | 2024-03-11T03:02:48Z |
| format | Article |
| id | doaj.art-95e95aa5c439492aabbd8082283d7d4b |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-11T03:02:48Z |
| publishDate | 2023-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-95e95aa5c439492aabbd8082283d7d4b2023-11-18T08:09:27ZengMDPI AGMaterials1996-19442023-05-011611403910.3390/ma16114039Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic SimulationsZhuoheng Liang0Yiming Wu1Yu Miao2Wei Pan3Yongzhong Zhang4GRINM Group Corporation Limited, National Engineering & Technology Research Center for Non-Ferrous Metals Composites, Beijing 101407, ChinaSchool of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, ChinaCollege of Computer Science and Technology, Harbin Engineering University, Harbin 150001, ChinaGRINM Group Corporation Limited, National Engineering & Technology Research Center for Non-Ferrous Metals Composites, Beijing 101407, ChinaGRINM Group Corporation Limited, National Engineering & Technology Research Center for Non-Ferrous Metals Composites, Beijing 101407, ChinaHigh-entropy alloy (HEA) is a new type of multi-principal alloy material and the Hf-Nb-Ta-Ti-Zr HEAs have attracted more and more attention from researchers due to their high melting point, special plasticity, and excellent corrosion resistance. In this paper, in order to reduce the density of the alloy and maintain the strength of the Hf-Nb-Ta-Ti-Zr HEAs, the effects of high-density elements Hf and Ta on the properties of HEAs were explored for the first time based on molecular dynamics simulations. A low-density and high-strength Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA suitable for laser melting deposition was designed and formed. Studies have shown that the decrease in the proportion of Ta element reduces the strength of HEA, while the decrease in Hf element increases the strength of HEA. The simultaneous decrease in the ratio of Hf and Ta elements reduces the elastic modulus and strength of HEA and leads to the coarsening of the alloy microstructure. The application of laser melting deposition (LMD) technology refines the grains and effectively solves the coarsening problem. Compared with the as-cast state, the as-deposited Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA obtained by LMD forming has obvious grain refinement (from 300 μm to 20–80 μm). At the same time, compared with the as-cast Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA (σ<sub>s</sub> = 730 ± 23 MPa), the as-deposited Hf<sub>0.25</sub>NbTa<sub>0.25</sub>TiZr HEA has higher strength (σ<sub>s</sub> = 925 ± 9 MPa), which is similar to the as-cast equiatomic ratio HfNbTaTiZr HEA (σ<sub>s</sub> = 970 ± 15 MPa).https://www.mdpi.com/1996-1944/16/11/4039high-entropy alloytensile mechanical propertiesatomic simulationslaser melting deposition |
| spellingShingle | Zhuoheng Liang Yiming Wu Yu Miao Wei Pan Yongzhong Zhang Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations Materials high-entropy alloy tensile mechanical properties atomic simulations laser melting deposition |
| title | Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations |
| title_full | Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations |
| title_fullStr | Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations |
| title_full_unstemmed | Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations |
| title_short | Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations |
| title_sort | composition design and tensile properties of additive manufactured low density hf nb ta ti zr high entropy alloys based on atomic simulations |
| topic | high-entropy alloy tensile mechanical properties atomic simulations laser melting deposition |
| url | https://www.mdpi.com/1996-1944/16/11/4039 |
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