First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys
In this study, the structural stability, elastic properties, and thermodynamic properties of FeAlNixCrMn high-entropy alloys (HEAs) (x = 0, 0.25, 0.5, and 0.75) were systematically studied. The analysis of the total density of states and Debye temperature of FeAlNixCrMn shows that the structural sta...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-05-01
|
| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785422003532 |
| _version_ | 1818353832232484864 |
|---|---|
| author | Chao Chang Hui Zhang |
| author_facet | Chao Chang Hui Zhang |
| author_sort | Chao Chang |
| collection | DOAJ |
| description | In this study, the structural stability, elastic properties, and thermodynamic properties of FeAlNixCrMn high-entropy alloys (HEAs) (x = 0, 0.25, 0.5, and 0.75) were systematically studied. The analysis of the total density of states and Debye temperature of FeAlNixCrMn shows that the structural stability of the alloy first increased and then decreased with the increasing of Ni content. According to the elastic constant, the influence of Ni content on the elastic modulus, toughness, brittleness, and elastic anisotropy of FeAlNixCrMn was analyzed. Finally, it is found that the thermal expansion coefficient and heat capacity show shows a strong temperature dependence only at low temperature. Furthermore, the dependence of temperature on the Grüneisen parameter is just the opposite of that of the Debye temperature. This study provides a reference and theoretical guidance for the design and performance prediction of HEAs components. |
| first_indexed | 2024-12-13T19:15:47Z |
| format | Article |
| id | doaj.art-5c4f395ca14b48eda3159cd7cc38c31d |
| institution | Directory Open Access Journal |
| issn | 2238-7854 |
| language | English |
| last_indexed | 2024-12-13T19:15:47Z |
| publishDate | 2022-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj.art-5c4f395ca14b48eda3159cd7cc38c31d2022-12-21T23:34:17ZengElsevierJournal of Materials Research and Technology2238-78542022-05-011813221332First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloysChao Chang0Hui Zhang1Corresponding author.; School of Applied Science, Taiyuan University of Science and Technology, Taiyuan, 030024, ChinaSchool of Applied Science, Taiyuan University of Science and Technology, Taiyuan, 030024, ChinaIn this study, the structural stability, elastic properties, and thermodynamic properties of FeAlNixCrMn high-entropy alloys (HEAs) (x = 0, 0.25, 0.5, and 0.75) were systematically studied. The analysis of the total density of states and Debye temperature of FeAlNixCrMn shows that the structural stability of the alloy first increased and then decreased with the increasing of Ni content. According to the elastic constant, the influence of Ni content on the elastic modulus, toughness, brittleness, and elastic anisotropy of FeAlNixCrMn was analyzed. Finally, it is found that the thermal expansion coefficient and heat capacity show shows a strong temperature dependence only at low temperature. Furthermore, the dependence of temperature on the Grüneisen parameter is just the opposite of that of the Debye temperature. This study provides a reference and theoretical guidance for the design and performance prediction of HEAs components.http://www.sciencedirect.com/science/article/pii/S2238785422003532First principlesHigh entropy alloyElastic propertiesThermodynamic property |
| spellingShingle | Chao Chang Hui Zhang First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys Journal of Materials Research and Technology First principles High entropy alloy Elastic properties Thermodynamic property |
| title | First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys |
| title_full | First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys |
| title_fullStr | First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys |
| title_full_unstemmed | First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys |
| title_short | First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys |
| title_sort | first principles calculations to investigate elastic and thermodynamic properties of fealnixcrmn quinternary alloys |
| topic | First principles High entropy alloy Elastic properties Thermodynamic property |
| url | http://www.sciencedirect.com/science/article/pii/S2238785422003532 |
| work_keys_str_mv | AT chaochang firstprinciplescalculationstoinvestigateelasticandthermodynamicpropertiesoffealnixcrmnquinternaryalloys AT huizhang firstprinciplescalculationstoinvestigateelasticandthermodynamicpropertiesoffealnixcrmnquinternaryalloys |