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Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys

Local chemical short-range ordering (SRO) and spatial fluctuations of planar fault energy are important features of multi-element and metastable complex concentrated alloys (CCAs). Arising from them, dislocations in such alloys are distinctively wavy in both static and migrating conditions; yet, suc...

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Detalles Bibliográficos
Autores principales: Li, Wei, Lyu, Shuang, Chen, Yue, Ngan, Alfonso H. W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041143/
https://www.ncbi.nlm.nih.gov/pubmed/36913568
http://dx.doi.org/10.1073/pnas.2209188120
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author Li, Wei
Lyu, Shuang
Chen, Yue
Ngan, Alfonso H. W.
author_facet Li, Wei
Lyu, Shuang
Chen, Yue
Ngan, Alfonso H. W.
author_sort Li, Wei
collection PubMed
description Local chemical short-range ordering (SRO) and spatial fluctuations of planar fault energy are important features of multi-element and metastable complex concentrated alloys (CCAs). Arising from them, dislocations in such alloys are distinctively wavy in both static and migrating conditions; yet, such effects on strength have remained unknown. In this work, molecular dynamics simulations are used to show that the wavy configurations of dislocations and their jumpy motion in a prototypic CCA of NiCoCr are due to the local fluctuations of the energy of SRO shear-faulting that accompanies dislocation motion, with the dislocation getting pinned at sites of hard atomic motifs (HAMs) associated with high local shear-fault energies. Unlike the global averaged shear-fault energy which in general will subdue on successive dislocation passes, the local fluctuations in the fault energy always remain in a CCA, thus offering a strength contribution that is unique in such alloys. Analysis of the magnitude of this form of dislocation resistance shows that this is dominating over contributions due to elastic misfit of alloying elements and is in good agreement with strengths predicted from molecular dynamics simulations and experiments. This work has unfolded the physical basis of strength in CCAs, which is important for the development of these alloys into useful structural materials.
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spelling pubmed-100411432023-03-28 Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys Li, Wei Lyu, Shuang Chen, Yue Ngan, Alfonso H. W. Proc Natl Acad Sci U S A Physical Sciences Local chemical short-range ordering (SRO) and spatial fluctuations of planar fault energy are important features of multi-element and metastable complex concentrated alloys (CCAs). Arising from them, dislocations in such alloys are distinctively wavy in both static and migrating conditions; yet, such effects on strength have remained unknown. In this work, molecular dynamics simulations are used to show that the wavy configurations of dislocations and their jumpy motion in a prototypic CCA of NiCoCr are due to the local fluctuations of the energy of SRO shear-faulting that accompanies dislocation motion, with the dislocation getting pinned at sites of hard atomic motifs (HAMs) associated with high local shear-fault energies. Unlike the global averaged shear-fault energy which in general will subdue on successive dislocation passes, the local fluctuations in the fault energy always remain in a CCA, thus offering a strength contribution that is unique in such alloys. Analysis of the magnitude of this form of dislocation resistance shows that this is dominating over contributions due to elastic misfit of alloying elements and is in good agreement with strengths predicted from molecular dynamics simulations and experiments. This work has unfolded the physical basis of strength in CCAs, which is important for the development of these alloys into useful structural materials. National Academy of Sciences 2023-03-13 2023-03-21 /pmc/articles/PMC10041143/ /pubmed/36913568 http://dx.doi.org/10.1073/pnas.2209188120 Text en Copyright © 2023 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by/4.0/This open access article is distributed under Creative Commons Attribution License 4.0 (CC BY) (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Physical Sciences
Li, Wei
Lyu, Shuang
Chen, Yue
Ngan, Alfonso H. W.
Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
title Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
title_full Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
title_fullStr Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
title_full_unstemmed Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
title_short Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
title_sort fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys
topic Physical Sciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041143/
https://www.ncbi.nlm.nih.gov/pubmed/36913568
http://dx.doi.org/10.1073/pnas.2209188120
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AT chenyue fluctuationsinlocalshearfaultenergyproduceuniqueanddominatingstrengtheninginmetastablecomplexconcentratedalloys
AT nganalfonsohw fluctuationsinlocalshearfaultenergyproduceuniqueanddominatingstrengtheninginmetastablecomplexconcentratedalloys