Nonequilibrium chemical short-range order in metallic alloys

Fuente: arXiv
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Auteurs principaux: Islam, Mahmudul, Sheriff, Killian, Cao, Yifan, Freitas, Rodrigo
Format: Preprint
Publié: 2024
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author Islam, Mahmudul
Sheriff, Killian
Cao, Yifan
Freitas, Rodrigo
author_facet Islam, Mahmudul
Sheriff, Killian
Cao, Yifan
Freitas, Rodrigo
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2409_15474
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Nonequilibrium chemical short-range order in metallic alloys
Islam, Mahmudul
Sheriff, Killian
Cao, Yifan
Freitas, Rodrigo
Materials Science
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.
title Nonequilibrium chemical short-range order in metallic alloys
topic Materials Science
url https://arxiv.org/abs/2409.15474