Nonequilibrium chemical short-range order in metallic alloys

Metallic alloys are routinely subjected to nonequilibrium processes during manufacturing, such as rapid solidification and thermomechanical processing. It has been suggested in the high-entropy alloy literature that chemical short-range order (SRO) could offer a new knob to tailor materials properties. While evidence of the effect of SRO on materials properties accumulates, the state of SRO evolution during alloy manufacturing remains obscure. Here, we employ high-fidelity atomistic simulations to track SRO evolution during the solidification and thermomechanical processing of alloys. Our investigation reveals that alloy processing can lead to nonequilibrium steady-states of SRO that are different from any equilibrium state. The mechanism behind nonequilibrium SRO formation is shown to be an inherent ordering bias present in nonequilibrium events. These results demonstrate that conventional manufacturing processes provide pathways for tuning SRO that lead to a broad nonequilibrium spectrum of SRO states beyond the equilibrium design space of alloys.

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Publication Details

Journal
Nature Communications
Published
2025-10-08
DOI
https://doi.org/10.1038/s41467-025-64733-z
Citations
7
Primary Topic
nanoparticles nucleation surface interactions
Type
article
Field-Weighted Citation Impact
9.11

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article

Nonequilibrium chemical short-range order in metallic alloys

Mahmudul Islam, Rodrigo Freitas, Killian Sheriff, Yifan Cao
7 citations
Nature Communications
nanoparticles nucleation surface interactions
9.11
article

Nonequilibrium chemical short-range order in metallic alloys

Mahmudul Islam, Rodrigo Freitas, Killian Sheriff, Yifan Cao
article en
7 citations

Abstract

Metallic alloys are routinely subjected to nonequilibrium processes during manufacturing, such as rapid solidification and thermomechanical processing. It has been suggested in the high-entropy alloy literature that chemical short-range order (SRO) could offer a new knob to tailor materials properties. While evidence of the effect of SRO on materials properties accumulates, the state of SRO evolution during alloy manufacturing remains obscure. Here, we employ high-fidelity atomistic simulations to track SRO evolution during the solidification and thermomechanical processing of alloys. Our investigation reveals that alloy processing can lead to nonequilibrium steady-states of SRO that are different from any equilibrium state. The mechanism behind nonequilibrium SRO formation is shown to be an inherent ordering bias present in nonequilibrium events. These results demonstrate that conventional manufacturing processes provide pathways for tuning SRO that lead to a broad nonequilibrium spectrum of SRO states beyond the equilibrium design space of alloys.

Nature CommunicationsVol. 16(1)
Massachusetts Institute of Technology (US)
National Science Foundation, Massachusetts Institute of Technology, Office of Advanced Cyberinfrastructure, Air Force Office of Scientific Research
Openalex Percentile: Top 2%
nanoparticles nucleation surface interactions
9.11
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Nonequilibrium chemical short-range order in metallic alloys — Mahmudul Islam, Rodrigo Freitas, et al. · Nature Communications (2025) | TGRS Research Map | TGRS