Nano-deterioration of steel passivation film: chloride attack in material defects
Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it i...
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| Autor*in: |
Wang, Muhan [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2023 |
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© The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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| Übergeordnetes Werk: |
Enthalten in: Materials and structures - Springer Netherlands, 1985, 56(2023), 2 vom: 17. Feb. |
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| Übergeordnetes Werk: |
volume:56 ; year:2023 ; number:2 ; day:17 ; month:02 |
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| DOI / URN: |
10.1617/s11527-023-02121-z |
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| 520 | |a Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. | ||
| 650 | 4 | |a Chloride hazards | |
| 650 | 4 | |a Passivation films | |
| 650 | 4 | |a Defects | |
| 650 | 4 | |a Structural deterioration | |
| 650 | 4 | |a Molecular dynamics | |
| 700 | 1 | |a Wu, Shenrong |4 aut | |
| 700 | 1 | |a Wang, Pan |4 aut | |
| 700 | 1 | |a Dong, Biqin |4 aut | |
| 700 | 1 | |a Ma, Mingliang |4 aut | |
| 700 | 1 | |a Wang, Zhao |4 aut | |
| 700 | 1 | |a Zhong, Jie |4 aut | |
| 700 | 1 | |a Li, Haisheng |4 aut | |
| 700 | 1 | |a Hou, Dongshuai |4 aut | |
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10.1617/s11527-023-02121-z doi (DE-627)OLC2134013362 (DE-He213)s11527-023-02121-z-p DE-627 ger DE-627 rakwb eng 690 VZ Wang, Muhan verfasserin (orcid)0000-0001-7786-4825 aut Nano-deterioration of steel passivation film: chloride attack in material defects 2023 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. Chloride hazards Passivation films Defects Structural deterioration Molecular dynamics Wu, Shenrong aut Wang, Pan aut Dong, Biqin aut Ma, Mingliang aut Wang, Zhao aut Zhong, Jie aut Li, Haisheng aut Hou, Dongshuai aut Enthalten in Materials and structures Springer Netherlands, 1985 56(2023), 2 vom: 17. Feb. (DE-627)12938240X (DE-600)165630-2 (DE-576)014768240 1359-5997 nnns volume:56 year:2023 number:2 day:17 month:02 https://doi.org/10.1617/s11527-023-02121-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-UMW SSG-OLC-ARC SSG-OLC-TEC GBV_ILN_20 GBV_ILN_2016 AR 56 2023 2 17 02 |
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10.1617/s11527-023-02121-z doi (DE-627)OLC2134013362 (DE-He213)s11527-023-02121-z-p DE-627 ger DE-627 rakwb eng 690 VZ Wang, Muhan verfasserin (orcid)0000-0001-7786-4825 aut Nano-deterioration of steel passivation film: chloride attack in material defects 2023 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. Chloride hazards Passivation films Defects Structural deterioration Molecular dynamics Wu, Shenrong aut Wang, Pan aut Dong, Biqin aut Ma, Mingliang aut Wang, Zhao aut Zhong, Jie aut Li, Haisheng aut Hou, Dongshuai aut Enthalten in Materials and structures Springer Netherlands, 1985 56(2023), 2 vom: 17. Feb. (DE-627)12938240X (DE-600)165630-2 (DE-576)014768240 1359-5997 nnns volume:56 year:2023 number:2 day:17 month:02 https://doi.org/10.1617/s11527-023-02121-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-UMW SSG-OLC-ARC SSG-OLC-TEC GBV_ILN_20 GBV_ILN_2016 AR 56 2023 2 17 02 |
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10.1617/s11527-023-02121-z doi (DE-627)OLC2134013362 (DE-He213)s11527-023-02121-z-p DE-627 ger DE-627 rakwb eng 690 VZ Wang, Muhan verfasserin (orcid)0000-0001-7786-4825 aut Nano-deterioration of steel passivation film: chloride attack in material defects 2023 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. Chloride hazards Passivation films Defects Structural deterioration Molecular dynamics Wu, Shenrong aut Wang, Pan aut Dong, Biqin aut Ma, Mingliang aut Wang, Zhao aut Zhong, Jie aut Li, Haisheng aut Hou, Dongshuai aut Enthalten in Materials and structures Springer Netherlands, 1985 56(2023), 2 vom: 17. Feb. (DE-627)12938240X (DE-600)165630-2 (DE-576)014768240 1359-5997 nnns volume:56 year:2023 number:2 day:17 month:02 https://doi.org/10.1617/s11527-023-02121-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-UMW SSG-OLC-ARC SSG-OLC-TEC GBV_ILN_20 GBV_ILN_2016 AR 56 2023 2 17 02 |
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10.1617/s11527-023-02121-z doi (DE-627)OLC2134013362 (DE-He213)s11527-023-02121-z-p DE-627 ger DE-627 rakwb eng 690 VZ Wang, Muhan verfasserin (orcid)0000-0001-7786-4825 aut Nano-deterioration of steel passivation film: chloride attack in material defects 2023 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. Chloride hazards Passivation films Defects Structural deterioration Molecular dynamics Wu, Shenrong aut Wang, Pan aut Dong, Biqin aut Ma, Mingliang aut Wang, Zhao aut Zhong, Jie aut Li, Haisheng aut Hou, Dongshuai aut Enthalten in Materials and structures Springer Netherlands, 1985 56(2023), 2 vom: 17. Feb. (DE-627)12938240X (DE-600)165630-2 (DE-576)014768240 1359-5997 nnns volume:56 year:2023 number:2 day:17 month:02 https://doi.org/10.1617/s11527-023-02121-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-UMW SSG-OLC-ARC SSG-OLC-TEC GBV_ILN_20 GBV_ILN_2016 AR 56 2023 2 17 02 |
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10.1617/s11527-023-02121-z doi (DE-627)OLC2134013362 (DE-He213)s11527-023-02121-z-p DE-627 ger DE-627 rakwb eng 690 VZ Wang, Muhan verfasserin (orcid)0000-0001-7786-4825 aut Nano-deterioration of steel passivation film: chloride attack in material defects 2023 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. Chloride hazards Passivation films Defects Structural deterioration Molecular dynamics Wu, Shenrong aut Wang, Pan aut Dong, Biqin aut Ma, Mingliang aut Wang, Zhao aut Zhong, Jie aut Li, Haisheng aut Hou, Dongshuai aut Enthalten in Materials and structures Springer Netherlands, 1985 56(2023), 2 vom: 17. Feb. (DE-627)12938240X (DE-600)165630-2 (DE-576)014768240 1359-5997 nnns volume:56 year:2023 number:2 day:17 month:02 https://doi.org/10.1617/s11527-023-02121-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-UMW SSG-OLC-ARC SSG-OLC-TEC GBV_ILN_20 GBV_ILN_2016 AR 56 2023 2 17 02 |
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nano-deterioration of steel passivation film: chloride attack in material defects |
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Nano-deterioration of steel passivation film: chloride attack in material defects |
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Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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Abstract A chloride attack is one of the culprits for the structural deterioration of steel passivation film in the coastal environment, which greatly limits the sustainability of the materials in infrastructure. Since the passivation film is usually only a few nanometers to tens of nanometers, it is necessary to study methods at appropriate scales. To effectively assess the hazards of chloride ions, the nanoscale process of γ-FeOOH deterioration is revealed by reactive molecular dynamics and electronic structures. It is found that the perfect γ-FeOOH can not deteriorate and the defects can facilitate chloride attack. The $ Cl^{−} $ is first adsorbed on the defects of γ-FeOOH, and then induces the $ Na^{+} $ to form Cl-Na pairs. The vibration of Cl-Na pairs will weaken the interaction between the layers of γ-FeOOH and thus break the γ-FeOOH structure. The electronic structural analyses prove that the Cl ions have strong bonding with the hydroxyls of γ-FeOOH, but Na ions are the opposite. Therefore, the Cl and Na ions play the role of anchoring the γ-FeOOH surface and breaking the γ-FeOOH structure by vibration, respectively. The detail of nanoscale static and dynamic properties are also revealed. This phenomenon can be recognized as the first step in the structural deterioration of steel passivation films. © The Author(s), under exclusive licence to RILEM 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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