Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases
An ordered ω-Al<sub>4</sub>Cr phase synthesized recently by a high-pressure sintering (HPS) approach was calculated to be stable by density function theory (DFT), implying that high pressure can accelerate the disorder-order phase transitions. The structural building units of the ω-Al<...
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MDPI AG
2022-07-01
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| Online Access: | https://www.mdpi.com/2073-4352/12/7/1008 |
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| author | Changzeng Fan Xu Geng Bin Wen |
| author_facet | Changzeng Fan Xu Geng Bin Wen |
| author_sort | Changzeng Fan |
| collection | DOAJ |
| description | An ordered ω-Al<sub>4</sub>Cr phase synthesized recently by a high-pressure sintering (HPS) approach was calculated to be stable by density function theory (DFT), implying that high pressure can accelerate the disorder-order phase transitions. The structural building units of the ω-Al<sub>4</sub>Cr phase as well as the non-stoichiometric disordered ε-Al<sub>4</sub>Cr and μ-Al<sub>4</sub>Cr phases have been analyzed by the topological “nanocluster” method in order to explore the structural relations among these phases. Both the ε-and μ-Al<sub>4</sub>Cr phases contain the typical Macky or pseudo-Macky cluster, and their centered positions were all occupied by Cr atoms, which all occupy the high-symmetry Wyckoff positions. The mechanism of the pressure-induced disorder-order phase transitions from the ε-/μ-Al<sub>4</sub>Cr to the ω-Al<sub>4</sub>Cr phase has been analyzed. and the related peritectic and eutectoid reactions have been re-evaluated. All results suggest that the stable ω-Al<sub>4</sub>Cr phase are transformed from the μ-Al<sub>4</sub>Cr phase by the eutectoid reaction that is accelerated by high-pressure conditions, whereas the ε-Al<sub>4</sub>Cr phase should form by the peritectic reaction. |
| first_indexed | 2024-03-09T12:02:47Z |
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| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-09T12:02:47Z |
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| spelling | doaj.art-7c7bdb1ebc16494e98c3472a8fe305612023-11-30T23:01:45ZengMDPI AGCrystals2073-43522022-07-01127100810.3390/cryst12071008Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr PhasesChangzeng Fan0Xu Geng1Bin Wen2State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, ChinaState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, ChinaState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, ChinaAn ordered ω-Al<sub>4</sub>Cr phase synthesized recently by a high-pressure sintering (HPS) approach was calculated to be stable by density function theory (DFT), implying that high pressure can accelerate the disorder-order phase transitions. The structural building units of the ω-Al<sub>4</sub>Cr phase as well as the non-stoichiometric disordered ε-Al<sub>4</sub>Cr and μ-Al<sub>4</sub>Cr phases have been analyzed by the topological “nanocluster” method in order to explore the structural relations among these phases. Both the ε-and μ-Al<sub>4</sub>Cr phases contain the typical Macky or pseudo-Macky cluster, and their centered positions were all occupied by Cr atoms, which all occupy the high-symmetry Wyckoff positions. The mechanism of the pressure-induced disorder-order phase transitions from the ε-/μ-Al<sub>4</sub>Cr to the ω-Al<sub>4</sub>Cr phase has been analyzed. and the related peritectic and eutectoid reactions have been re-evaluated. All results suggest that the stable ω-Al<sub>4</sub>Cr phase are transformed from the μ-Al<sub>4</sub>Cr phase by the eutectoid reaction that is accelerated by high-pressure conditions, whereas the ε-Al<sub>4</sub>Cr phase should form by the peritectic reaction.https://www.mdpi.com/2073-4352/12/7/1008Al<sub>4</sub>Crintermetallicshigh-pressuredisorder-orderphase transitions |
| spellingShingle | Changzeng Fan Xu Geng Bin Wen Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases Crystals Al<sub>4</sub>Cr intermetallics high-pressure disorder-order phase transitions |
| title | Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases |
| title_full | Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases |
| title_fullStr | Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases |
| title_full_unstemmed | Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases |
| title_short | Pressure Induced Disorder-Order Phase Transitions in the Al<sub>4</sub>Cr Phases |
| title_sort | pressure induced disorder order phase transitions in the al sub 4 sub cr phases |
| topic | Al<sub>4</sub>Cr intermetallics high-pressure disorder-order phase transitions |
| url | https://www.mdpi.com/2073-4352/12/7/1008 |
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