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Stacking fault energy in concentrated alloys
We revisit the meaning of stacking fault energy (SFE) and the assumptions of equilibrium dissociation of lattice dislocations in concentrated alloys. SFE is a unique value in pure metals. However, in alloys beyond the dilute limit, SFE has a distribution of values depending on the local atomic envir...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8196205/ https://www.ncbi.nlm.nih.gov/pubmed/34117239 http://dx.doi.org/10.1038/s41467-021-23860-z |
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author | Shih, Mulaine Miao, Jiashi Mills, Michael Ghazisaeidi, Maryam |
author_facet | Shih, Mulaine Miao, Jiashi Mills, Michael Ghazisaeidi, Maryam |
author_sort | Shih, Mulaine |
collection | PubMed |
description | We revisit the meaning of stacking fault energy (SFE) and the assumptions of equilibrium dissociation of lattice dislocations in concentrated alloys. SFE is a unique value in pure metals. However, in alloys beyond the dilute limit, SFE has a distribution of values depending on the local atomic environment. Conventionally, the equilibrium distance between partial dislocations is determined by a balance between the repulsive elastic interaction between the partial dislocations and a unique value for SFE. This assumption is used to determine SFE from experimental measurements of dislocation splitting distances in metals and alloys, often contradicting computational predictions. We use atomistic simulations in a model NiCo alloy to study the dislocation dissociation process in a range of compositions with positive, zero, and negative average SFE and surprisingly observe a stable, finite splitting distance in all cases at low temperatures. We then compute the decorrelation stress and examine the balance of forces on the partial dislocations, considering the local effects on SFE, and observe that even the upper bound of SFE distribution alone cannot satisfy the force balance in some cases. Furthermore, we show that in concentrated solid solutions, the resisting force caused by interaction of dislocations with the local solute environment becomes a major force acting on partial dislocations. Here, we show that the presence of a high solute/dislocation interaction, which is not easy to measure and neglected in experimental measurements of SFE, renders the experimental values of SFE unreliable. |
format | Online Article Text |
id | pubmed-8196205 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-81962052021-06-17 Stacking fault energy in concentrated alloys Shih, Mulaine Miao, Jiashi Mills, Michael Ghazisaeidi, Maryam Nat Commun Article We revisit the meaning of stacking fault energy (SFE) and the assumptions of equilibrium dissociation of lattice dislocations in concentrated alloys. SFE is a unique value in pure metals. However, in alloys beyond the dilute limit, SFE has a distribution of values depending on the local atomic environment. Conventionally, the equilibrium distance between partial dislocations is determined by a balance between the repulsive elastic interaction between the partial dislocations and a unique value for SFE. This assumption is used to determine SFE from experimental measurements of dislocation splitting distances in metals and alloys, often contradicting computational predictions. We use atomistic simulations in a model NiCo alloy to study the dislocation dissociation process in a range of compositions with positive, zero, and negative average SFE and surprisingly observe a stable, finite splitting distance in all cases at low temperatures. We then compute the decorrelation stress and examine the balance of forces on the partial dislocations, considering the local effects on SFE, and observe that even the upper bound of SFE distribution alone cannot satisfy the force balance in some cases. Furthermore, we show that in concentrated solid solutions, the resisting force caused by interaction of dislocations with the local solute environment becomes a major force acting on partial dislocations. Here, we show that the presence of a high solute/dislocation interaction, which is not easy to measure and neglected in experimental measurements of SFE, renders the experimental values of SFE unreliable. Nature Publishing Group UK 2021-06-11 /pmc/articles/PMC8196205/ /pubmed/34117239 http://dx.doi.org/10.1038/s41467-021-23860-z Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Shih, Mulaine Miao, Jiashi Mills, Michael Ghazisaeidi, Maryam Stacking fault energy in concentrated alloys |
title | Stacking fault energy in concentrated alloys |
title_full | Stacking fault energy in concentrated alloys |
title_fullStr | Stacking fault energy in concentrated alloys |
title_full_unstemmed | Stacking fault energy in concentrated alloys |
title_short | Stacking fault energy in concentrated alloys |
title_sort | stacking fault energy in concentrated alloys |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8196205/ https://www.ncbi.nlm.nih.gov/pubmed/34117239 http://dx.doi.org/10.1038/s41467-021-23860-z |
work_keys_str_mv | AT shihmulaine stackingfaultenergyinconcentratedalloys AT miaojiashi stackingfaultenergyinconcentratedalloys AT millsmichael stackingfaultenergyinconcentratedalloys AT ghazisaeidimaryam stackingfaultenergyinconcentratedalloys |