TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
High-entropy alloys (HEA) are a group of modern, perspective materials that have been intensively developed in recent years due to their superior properties and potential applications in many fields. The complexity of their chemical composition and the further interactions of main elements significa...
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doaj-d75b032895df4078ab261176b720c7202021-09-26T00:36:42ZengMDPI AGMaterials1996-19442021-09-01145285528510.3390/ma14185285TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular OrbitalsDominika Gorniewicz0Hubert Przygucki1Mateusz Kopec2Krzysztof Karczewski3Stanisław Jóźwiak4Faculty of Advanced Technologies and Chemistry, Military University of Technology, Sylwestra Kaliskiego 2, 00-908 Warsaw, PolandGeniCore Sp. z o.o., Wolczynska 133, 01-919 Warsaw, PolandInstitute of Fundamental Technological Research, Polish Academy of Sciences, Pawińskiego 5B, 02-106 Warsaw, PolandFaculty of Advanced Technologies and Chemistry, Military University of Technology, Sylwestra Kaliskiego 2, 00-908 Warsaw, PolandFaculty of Advanced Technologies and Chemistry, Military University of Technology, Sylwestra Kaliskiego 2, 00-908 Warsaw, PolandHigh-entropy alloys (HEA) are a group of modern, perspective materials that have been intensively developed in recent years due to their superior properties and potential applications in many fields. The complexity of their chemical composition and the further interactions of main elements significantly inhibit the prediction of phases that may form during material processing. Thus, at the design stage of HEA fabrication, the molecular orbitals theory was proposed. In this method, the connection of the average strength of covalent bonding between the alloying elements (Bo parameter) and the average energy level of the d-orbital (parameter Md) enables for a preliminary assessment of the phase structure and the type of lattice for individual components in the formed alloy. The designed TiCoCrFeMn alloy was produced by the powder metallurgy method, preceded by mechanical alloying of the initial elementary powders and at the temperature of 1050 °C for 60 s. An ultra-fine-grained structured alloy was homogenized at 1000 °C for 1000 h. The X-ray diffraction and scanning electron microscopy analysis confirmed the correctness of the methodology proposed as the assumed phase structure consisted of the body-centered cubic (BCC) solid solution and the C14 Laves phase was obtained.https://www.mdpi.com/1996-1944/14/18/5285HEAsolid solutionlaves phaseU-FAST sintering |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Dominika Gorniewicz Hubert Przygucki Mateusz Kopec Krzysztof Karczewski Stanisław Jóźwiak |
spellingShingle |
Dominika Gorniewicz Hubert Przygucki Mateusz Kopec Krzysztof Karczewski Stanisław Jóźwiak TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals Materials HEA solid solution laves phase U-FAST sintering |
author_facet |
Dominika Gorniewicz Hubert Przygucki Mateusz Kopec Krzysztof Karczewski Stanisław Jóźwiak |
author_sort |
Dominika Gorniewicz |
title |
TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals |
title_short |
TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals |
title_full |
TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals |
title_fullStr |
TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals |
title_full_unstemmed |
TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals |
title_sort |
ticocrfemn (bcc + c14) high-entropy alloy multiphase structure analysis based on the theory of molecular orbitals |
publisher |
MDPI AG |
series |
Materials |
issn |
1996-1944 |
publishDate |
2021-09-01 |
description |
High-entropy alloys (HEA) are a group of modern, perspective materials that have been intensively developed in recent years due to their superior properties and potential applications in many fields. The complexity of their chemical composition and the further interactions of main elements significantly inhibit the prediction of phases that may form during material processing. Thus, at the design stage of HEA fabrication, the molecular orbitals theory was proposed. In this method, the connection of the average strength of covalent bonding between the alloying elements (Bo parameter) and the average energy level of the d-orbital (parameter Md) enables for a preliminary assessment of the phase structure and the type of lattice for individual components in the formed alloy. The designed TiCoCrFeMn alloy was produced by the powder metallurgy method, preceded by mechanical alloying of the initial elementary powders and at the temperature of 1050 °C for 60 s. An ultra-fine-grained structured alloy was homogenized at 1000 °C for 1000 h. The X-ray diffraction and scanning electron microscopy analysis confirmed the correctness of the methodology proposed as the assumed phase structure consisted of the body-centered cubic (BCC) solid solution and the C14 Laves phase was obtained. |
topic |
HEA solid solution laves phase U-FAST sintering |
url |
https://www.mdpi.com/1996-1944/14/18/5285 |
work_keys_str_mv |
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