Pub Date : 2024-07-12DOI: 10.1038/s41529-024-00478-2
José María Castillo-Robles, Ernane de Freitas Martins, Pablo Ordejón, Ivan Cole
In the last few years, organic corrosion inhibitors have been used as a green alternative to toxic inorganic compounds to prevent corrosion in materials. Nonetheless, the fundamental mechanisms determining their inhibition performance are still far from understood. Molecular modeling can provide important insights into those mechanisms, allowing for a detailed analysis of the corrosion inhibition (CI) process. However, CI modeling is frequently underexplored and commonly used in a standardized way following a pre-determined recipe to support experimental data. We highlight six fundamental aspects (A) that one should consider when modeling CI: (A1) the electronic properties of isolated inhibitors, (A2) the interaction of the inhibitor with the surface, (A3) the surface model, (A4) the effect of the anodic and cathodic zones on the surface, (A5) the solvent effects, and (A6) the electrodes’ potential effects. While A1-A3 are more frequently investigated, A4-A6 and some more complex surface models from A3 are usually not considered and represent gaps in the CI modeling literature. In this review, we discuss the main features of molecular modeling applied to CI, considering the aforementioned key aspects and focusing on the gaps that the emerging approaches aim to fill. Filling these gaps will allow performing more detailed simulations of the CI process, which, coupled with artificial intelligence (AI) methods and multiscale approaches, might construct the bridge between the nanoscale CI modeling and the continuum scale of the CI processes.
在过去几年中，有机缓蚀剂已被用作有毒无机化合物的绿色替代品，以防止材料腐蚀。尽管如此，人们对决定其缓蚀性能的基本机制仍知之甚少。分子建模可以提供对这些机理的重要见解，从而对缓蚀（CI）过程进行详细分析。然而，CI 建模往往未得到充分探索，通常是按照预先确定的配方以标准化方式使用，以支持实验数据。我们强调了建立 CI 模型时应考虑的六个基本方面 (A)：(A1) 隔离抑制剂的电子特性；(A2) 抑制剂与表面的相互作用；(A3) 表面模型；(A4) 表面阳极区和阴极区的影响；(A5) 溶剂影响；(A6) 电极电位影响。虽然 A1-A3 的研究较多，但 A4-A6 以及 A3 中一些更复杂的表面模型通常未被考虑，是 CI 建模文献中的空白。在本综述中，我们将讨论应用于 CI 的分子建模的主要特点，考虑上述关键方面，并重点关注新兴方法旨在填补的空白。填补这些空白将允许对 CI 过程进行更详细的模拟，再加上人工智能（AI）方法和多尺度方法，可能会在纳米级 CI 建模和连续级 CI 过程之间架起一座桥梁。
{"title":"Molecular modeling applied to corrosion inhibition: a critical review","authors":"José María Castillo-Robles, Ernane de Freitas Martins, Pablo Ordejón, Ivan Cole","doi":"10.1038/s41529-024-00478-2","DOIUrl":"10.1038/s41529-024-00478-2","url":null,"abstract":"In the last few years, organic corrosion inhibitors have been used as a green alternative to toxic inorganic compounds to prevent corrosion in materials. Nonetheless, the fundamental mechanisms determining their inhibition performance are still far from understood. Molecular modeling can provide important insights into those mechanisms, allowing for a detailed analysis of the corrosion inhibition (CI) process. However, CI modeling is frequently underexplored and commonly used in a standardized way following a pre-determined recipe to support experimental data. We highlight six fundamental aspects (A) that one should consider when modeling CI: (A1) the electronic properties of isolated inhibitors, (A2) the interaction of the inhibitor with the surface, (A3) the surface model, (A4) the effect of the anodic and cathodic zones on the surface, (A5) the solvent effects, and (A6) the electrodes’ potential effects. While A1-A3 are more frequently investigated, A4-A6 and some more complex surface models from A3 are usually not considered and represent gaps in the CI modeling literature. In this review, we discuss the main features of molecular modeling applied to CI, considering the aforementioned key aspects and focusing on the gaps that the emerging approaches aim to fill. Filling these gaps will allow performing more detailed simulations of the CI process, which, coupled with artificial intelligence (AI) methods and multiscale approaches, might construct the bridge between the nanoscale CI modeling and the continuum scale of the CI processes.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-20"},"PeriodicalIF":6.6,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00478-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-12DOI: 10.1038/s41529-024-00484-4
Raisa Bentay Hossain, Kazuma Kobayashi, Syed Bahauddin Alam
Sensor degradation poses a critical yet ‘often overlooked’ challenge in accurately predicting the remaining useful life (RUL) of nuclear reactor pressure vessels (RPVs), hindering safe and efficient plant operation. This paper introduces an approach to RUL estimation that explicitly addresses sensor degradation, a significant departure from conventional methods. We model neutron embrittlement, a dominant degradation process in RPV steel, as a Wiener process and leverage real-world surveillance capsule data for insightful parameterization. Maximum likelihood estimation is utilized to characterize the degradation dynamics in the model. A Kalman filter then seamlessly integrates the degradation model with sensor measurements, effectively compensating for degradation-induced errors and providing refined state estimates. These estimates power a robust RUL prediction framework. Our results expose the profound impact of sensor degradation on conventional RUL predictions. By directly confronting sensor degradation, our method yields substantially more accurate and reliable RUL estimates. This work marks a significant advancement in the field of materials degradation, offering a powerful tool to optimize nuclear power plant safety and longevity.
{"title":"Sensor degradation in nuclear reactor pressure vessels: the overlooked factor in remaining useful life prediction","authors":"Raisa Bentay Hossain, Kazuma Kobayashi, Syed Bahauddin Alam","doi":"10.1038/s41529-024-00484-4","DOIUrl":"10.1038/s41529-024-00484-4","url":null,"abstract":"Sensor degradation poses a critical yet ‘often overlooked’ challenge in accurately predicting the remaining useful life (RUL) of nuclear reactor pressure vessels (RPVs), hindering safe and efficient plant operation. This paper introduces an approach to RUL estimation that explicitly addresses sensor degradation, a significant departure from conventional methods. We model neutron embrittlement, a dominant degradation process in RPV steel, as a Wiener process and leverage real-world surveillance capsule data for insightful parameterization. Maximum likelihood estimation is utilized to characterize the degradation dynamics in the model. A Kalman filter then seamlessly integrates the degradation model with sensor measurements, effectively compensating for degradation-induced errors and providing refined state estimates. These estimates power a robust RUL prediction framework. Our results expose the profound impact of sensor degradation on conventional RUL predictions. By directly confronting sensor degradation, our method yields substantially more accurate and reliable RUL estimates. This work marks a significant advancement in the field of materials degradation, offering a powerful tool to optimize nuclear power plant safety and longevity.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-10"},"PeriodicalIF":6.6,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00484-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1038/s41529-024-00492-4
Junhang Chen, Chao Zhang, Zhihao Hu, Yao Tan, Shiwen Zou, Jin Gao, Xin Zhang, Kui Xiao
The Mg–9Gd–3Y–2Zn–0.5Zr alloy was studied for its long-term corrosion behavior in a simulated coastal storage environment. The results show that the Mg12 (Y, Gd) Zn phase in the Mg–9Gd–3Y–2Zn–0.5Zr alloy forms a galvanic couple with α-Mg, and the Mg12 (Y, Gd) Zn phase acts as a cathode to accelerate α-Mg during the corrosion initiation period. The corrosion of the anode is subsequently transformed into corrosive dissolution of the anode. With the dissolution of the Mg12 (Y, Gd) Zn phase, elements such as Gd and Y are gradually distributed into the entire corrosion product layer, improving the protective performance of the corrosion product layer by forming dense Gd2O3 and Y2O3.
{"title":"Corrosion behavior of the second phase in Mg–9Gd–3Y–2Zn–0.5Zr alloy under simulated coastal storage environment","authors":"Junhang Chen, Chao Zhang, Zhihao Hu, Yao Tan, Shiwen Zou, Jin Gao, Xin Zhang, Kui Xiao","doi":"10.1038/s41529-024-00492-4","DOIUrl":"10.1038/s41529-024-00492-4","url":null,"abstract":"The Mg–9Gd–3Y–2Zn–0.5Zr alloy was studied for its long-term corrosion behavior in a simulated coastal storage environment. The results show that the Mg12 (Y, Gd) Zn phase in the Mg–9Gd–3Y–2Zn–0.5Zr alloy forms a galvanic couple with α-Mg, and the Mg12 (Y, Gd) Zn phase acts as a cathode to accelerate α-Mg during the corrosion initiation period. The corrosion of the anode is subsequently transformed into corrosive dissolution of the anode. With the dissolution of the Mg12 (Y, Gd) Zn phase, elements such as Gd and Y are gradually distributed into the entire corrosion product layer, improving the protective performance of the corrosion product layer by forming dense Gd2O3 and Y2O3.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-11"},"PeriodicalIF":6.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00492-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1038/s41529-024-00489-z
Tiago L. P. Galvão, Inês Ferreira, Frederico Maia, José R. B. Gomes, João Tedim
The machine learning framework reported herein can greatly accelerate the development of more effective and sustainable corrosion inhibitors for aluminum alloys, which still rely mostly on the experience of corrosion scientists, and trial and error laboratory testing. It can be used to design inhibitors for specific applications, which can be immobilized into nanocontainers or included directly into coatings in the search for less hazardous corrosion protective technologies. Therefore, a machine learning (ML) classification model that allows to identify promising compounds ( > 70% inhibitor efficiency) among less promising ones, and an online application ( https://datacor.shinyapps.io/datacortech/ ) were developed for the virtual screen (simulation) of potential inhibitors for aluminum alloys, capable of considering the molecular structure and the influence of pH as an input.
{"title":"DATACORTECH: artificial intelligence platform for the virtual screen of aluminum corrosion inhibitors","authors":"Tiago L. P. Galvão, Inês Ferreira, Frederico Maia, José R. B. Gomes, João Tedim","doi":"10.1038/s41529-024-00489-z","DOIUrl":"10.1038/s41529-024-00489-z","url":null,"abstract":"The machine learning framework reported herein can greatly accelerate the development of more effective and sustainable corrosion inhibitors for aluminum alloys, which still rely mostly on the experience of corrosion scientists, and trial and error laboratory testing. It can be used to design inhibitors for specific applications, which can be immobilized into nanocontainers or included directly into coatings in the search for less hazardous corrosion protective technologies. Therefore, a machine learning (ML) classification model that allows to identify promising compounds ( > 70% inhibitor efficiency) among less promising ones, and an online application ( https://datacor.shinyapps.io/datacortech/ ) were developed for the virtual screen (simulation) of potential inhibitors for aluminum alloys, capable of considering the molecular structure and the influence of pH as an input.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-9"},"PeriodicalIF":6.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00489-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1038/s41529-024-00479-1
Jacek Wasik, Joseph Sutcliffe, Renaud Podor, Jarrod Lewis, James Edward Darnbrough, Sophie Rennie, Syed Akbar Hussain, Christopher Bell, Daniel Alexander Chaney, Gareth Griffiths, Lottie Mae Harding, Florence Legg, Eleanor Lawrence Bright, Rebecca Nicholls, Yadukrishnan Sasikumar, Angus Siberry, Philip Smith, Ross Springell
Although the principal physical behaviour of a material is inherently connected to its fundamental crystal structure, the behaviours observed in the real-world are often driven by the microstructure, which for many polycrystalline materials, equates to the size and shape of the constituent crystal grains. Here we highlight a cutting edge synthesis route to the controlled engineering of grain structures in thin films and the simplification of associated 3-dimensional problems to less complex 2D ones. This has been applied to the actinide ceramic, uranium dioxide, to replicate structures typical in nuclear fission fuel pellets, in order to investigate the oxidation and subsequent transformation of cubic UO2 to orthorhombic U3O8. This article shows how this synthesis approach could be utilised to investigate a range of phenomena, affected by grain morphology, and highlights some unusual results in the oxidation behaviour of UO2, regarding the phase transition to U3O8.
{"title":"Polyepitaxial grain matching to study the oxidation of uranium dioxide","authors":"Jacek Wasik, Joseph Sutcliffe, Renaud Podor, Jarrod Lewis, James Edward Darnbrough, Sophie Rennie, Syed Akbar Hussain, Christopher Bell, Daniel Alexander Chaney, Gareth Griffiths, Lottie Mae Harding, Florence Legg, Eleanor Lawrence Bright, Rebecca Nicholls, Yadukrishnan Sasikumar, Angus Siberry, Philip Smith, Ross Springell","doi":"10.1038/s41529-024-00479-1","DOIUrl":"10.1038/s41529-024-00479-1","url":null,"abstract":"Although the principal physical behaviour of a material is inherently connected to its fundamental crystal structure, the behaviours observed in the real-world are often driven by the microstructure, which for many polycrystalline materials, equates to the size and shape of the constituent crystal grains. Here we highlight a cutting edge synthesis route to the controlled engineering of grain structures in thin films and the simplification of associated 3-dimensional problems to less complex 2D ones. This has been applied to the actinide ceramic, uranium dioxide, to replicate structures typical in nuclear fission fuel pellets, in order to investigate the oxidation and subsequent transformation of cubic UO2 to orthorhombic U3O8. This article shows how this synthesis approach could be utilised to investigate a range of phenomena, affected by grain morphology, and highlights some unusual results in the oxidation behaviour of UO2, regarding the phase transition to U3O8.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-6"},"PeriodicalIF":6.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00479-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141614794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-09DOI: 10.1038/s41529-024-00491-5
Margherita Gnemmi, Laura Fuster-Lòpez, Marion Mecklenburg, Alison Murray, Sarah Sands, Greg Watson, Francesca Caterina Izzo
{"title":"Author Correction: Ion migration mechanisms in the early stages of drying and degradation of oil paint films","authors":"Margherita Gnemmi, Laura Fuster-Lòpez, Marion Mecklenburg, Alison Murray, Sarah Sands, Greg Watson, Francesca Caterina Izzo","doi":"10.1038/s41529-024-00491-5","DOIUrl":"10.1038/s41529-024-00491-5","url":null,"abstract":"","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-1"},"PeriodicalIF":6.6,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00491-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141631262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-06DOI: 10.1038/s41529-024-00487-1
Hillary Mndlovu, Pradeep Kumar, Lisa C. du Toit, Yahya E. Choonara
The biological response to biomaterials plays a crucial role in selecting suitable materials for the formulation and development of tissue engineering platforms. Biodegradation is one of the properties that is considered in selecting appropriate biomaterials for biomedical applications. Biodegradation is the process of breaking down large molecules into smaller molecules with/without the aid of catalytic enzymes. The biodegradation process is crucial in the chemical absorption, distribution, metabolism, excretion, and toxicity (ADMET) process of biomaterials and small molecules in the body. Degradation of biomaterials can be followed by assessing the physical, mechanical, and chemical attributes of biomaterials. There are several techniques/parameters that can be targeted when studying the degradation of biomaterials, with gravimetric analysis, surface erosion, and morphological changes being the largely employed techniques. However, the techniques present a few limitations, such as technical errors and material solubility being mistaken for degradation, and these techniques can infer but not confirm degradation as they do not provide the chemical composition of fragmenting/fragmented molecules. The American Society for Testing and Materials (ASTM) guidelines provide techniques and parameters for assessing biodegradation. However, the ASTM guidelines for degradation assessment approaches and techniques need to be updated to provide sufficient evidence to draw conclusive decisions regarding the degradation of biomaterials. In this review, the degradation assessment approaches and techniques are critically reviewed about their advantages and disadvantages, and to provide suggestions on how they can still play a role in assessing the degradation of biomaterials. This review could assist researchers employ cost-effective, efficient, and multiple degradation assessment techniques to evaluate and provide sufficient information about the degradation of biomaterials. Suggested future ASTM guidelines for assessing biodegradation should include measuring parameters (such as chemical, mechanical, or physical attributes of biomaterials) in real-time, employing non-invasive, continuous, and automated processes.
{"title":"A review of biomaterial degradation assessment approaches employed in the biomedical field","authors":"Hillary Mndlovu, Pradeep Kumar, Lisa C. du Toit, Yahya E. Choonara","doi":"10.1038/s41529-024-00487-1","DOIUrl":"10.1038/s41529-024-00487-1","url":null,"abstract":"The biological response to biomaterials plays a crucial role in selecting suitable materials for the formulation and development of tissue engineering platforms. Biodegradation is one of the properties that is considered in selecting appropriate biomaterials for biomedical applications. Biodegradation is the process of breaking down large molecules into smaller molecules with/without the aid of catalytic enzymes. The biodegradation process is crucial in the chemical absorption, distribution, metabolism, excretion, and toxicity (ADMET) process of biomaterials and small molecules in the body. Degradation of biomaterials can be followed by assessing the physical, mechanical, and chemical attributes of biomaterials. There are several techniques/parameters that can be targeted when studying the degradation of biomaterials, with gravimetric analysis, surface erosion, and morphological changes being the largely employed techniques. However, the techniques present a few limitations, such as technical errors and material solubility being mistaken for degradation, and these techniques can infer but not confirm degradation as they do not provide the chemical composition of fragmenting/fragmented molecules. The American Society for Testing and Materials (ASTM) guidelines provide techniques and parameters for assessing biodegradation. However, the ASTM guidelines for degradation assessment approaches and techniques need to be updated to provide sufficient evidence to draw conclusive decisions regarding the degradation of biomaterials. In this review, the degradation assessment approaches and techniques are critically reviewed about their advantages and disadvantages, and to provide suggestions on how they can still play a role in assessing the degradation of biomaterials. This review could assist researchers employ cost-effective, efficient, and multiple degradation assessment techniques to evaluate and provide sufficient information about the degradation of biomaterials. Suggested future ASTM guidelines for assessing biodegradation should include measuring parameters (such as chemical, mechanical, or physical attributes of biomaterials) in real-time, employing non-invasive, continuous, and automated processes.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-19"},"PeriodicalIF":6.6,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00487-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141561176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-18DOI: 10.1038/s41529-024-00485-3
Ana Kraš, Ingrid Milošev, Antoine Seyeux, Philippe Marcus
This study validates the proposed polymerised structure, including tetrameric polynuclear species, of solid amorphous oxyhydroxide zirconium conversion coatings on cold-rolled steel using ToF-SIMS. Tetramers are formed at pH near 4 (and possibly higher), with thickness increasing over extended conversion times. EIS in simulated acid rain further demonstrates that optimal coating formation requires a pH of at least 4 and a sufficient conversion time for adequate thickness, confirmed by the high-frequency EIS loop. Tetramer forms were not observed when the coatings were prepared at lower pH or shorter conversion time, proving that the polymerisation step is crucial for obtaining the coatings offering adequate corrosion protection.
本研究利用 ToF-SIMS 验证了所提出的冷轧钢固态无定形氢氧化锆转化涂层的聚合结构，包括四聚体多核物种。四聚物在 pH 值接近 4（也可能更高）时形成，厚度随着转化时间的延长而增加。在模拟酸雨中进行的 EIS 进一步证明，最佳涂层形成需要至少 4 的 pH 值和足够的转化时间才能达到足够的厚度，这一点已被高频 EIS 循环所证实。在较低的 pH 值或较短的转化时间下制备涂层时，没有观察到四聚体形式，这证明聚合步骤对于获得具有足够腐蚀保护能力的涂层至关重要。
{"title":"Polymerised forms in the zirconium conversion coatings on cold-rolled steel: proof of concept","authors":"Ana Kraš, Ingrid Milošev, Antoine Seyeux, Philippe Marcus","doi":"10.1038/s41529-024-00485-3","DOIUrl":"10.1038/s41529-024-00485-3","url":null,"abstract":"This study validates the proposed polymerised structure, including tetrameric polynuclear species, of solid amorphous oxyhydroxide zirconium conversion coatings on cold-rolled steel using ToF-SIMS. Tetramers are formed at pH near 4 (and possibly higher), with thickness increasing over extended conversion times. EIS in simulated acid rain further demonstrates that optimal coating formation requires a pH of at least 4 and a sufficient conversion time for adequate thickness, confirmed by the high-frequency EIS loop. Tetramer forms were not observed when the coatings were prepared at lower pH or shorter conversion time, proving that the polymerisation step is crucial for obtaining the coatings offering adequate corrosion protection.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-6"},"PeriodicalIF":5.1,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00485-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141425149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The irradiation of glass by heavy ions induces structural damage, generally leading to a decrease in its chemical durability whose amplitude strongly depends on the glass chemical composition. Here, we investigate the effects of irradiation by 7 MeV Au ions (simulating the main ballistic effects induced by self-irradiation in nuclear glass) on the behavior of a 4-oxide borosilicate glass in both the initial and residual dissolution regimes. The comparison between irradiated and non-irradiated glasses provides insights into the predominant atomic mechanisms governing glass alteration processes. The most pronounced effect is observed on interdiffusion in acidic conditions, with the rate increased by more than an order of magnitude for the irradiated glass. We show that both the interdiffusion regime and the residual regime are controlled by the hydrolysis of the B—O—Si linkages, whereas under initial dissolution rate regime in basic conditions the rate-limiting step becomes the hydrolysis of Si—O—Si linkages. Overall, the observations suggest structural disorder due to external irradiation by Au ions primarily affects the kinetics of glass alteration without changing the fundamental nature of the limiting reactions.
{"title":"Effect of structural disorder induced by external irradiation with heavy ions on the alteration of a four oxide borosilicate glass","authors":"Stéphane Gin, Mélanie Taron, Hélène Arena, Jean-Marc Delaye","doi":"10.1038/s41529-024-00483-5","DOIUrl":"10.1038/s41529-024-00483-5","url":null,"abstract":"The irradiation of glass by heavy ions induces structural damage, generally leading to a decrease in its chemical durability whose amplitude strongly depends on the glass chemical composition. Here, we investigate the effects of irradiation by 7 MeV Au ions (simulating the main ballistic effects induced by self-irradiation in nuclear glass) on the behavior of a 4-oxide borosilicate glass in both the initial and residual dissolution regimes. The comparison between irradiated and non-irradiated glasses provides insights into the predominant atomic mechanisms governing glass alteration processes. The most pronounced effect is observed on interdiffusion in acidic conditions, with the rate increased by more than an order of magnitude for the irradiated glass. We show that both the interdiffusion regime and the residual regime are controlled by the hydrolysis of the B—O—Si linkages, whereas under initial dissolution rate regime in basic conditions the rate-limiting step becomes the hydrolysis of Si—O—Si linkages. Overall, the observations suggest structural disorder due to external irradiation by Au ions primarily affects the kinetics of glass alteration without changing the fundamental nature of the limiting reactions.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-11"},"PeriodicalIF":5.1,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00483-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141425147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-07DOI: 10.1038/s41529-024-00482-6
Haruka Saito, Masashi Nishimoto, Izumi Muto
In Type 316 L stainless steel fabricated from gas-atomized powder via spark plasma sintering, lack-of-fusion pores and MnS inclusions were identified as possible pitting initiation sites. Through potentiodynamic polarization with different working electrode areas, the distribution density of the identified pit initiation sites was compared with that of sites found on wrought Type 316 L stainless steel. Surface observations of the sintered Type 316 L after polarization suggest that pitting corrosion was initiated at a location where both MnS and pores existed. By reducing the porosity and removing MnS, the roles of pores and MnS inclusions in the initiation of pitting corrosion were investigated.
在通过火花等离子烧结由气体原子化粉末制成的 316 L 型不锈钢中，发现了可能的点蚀起始点--熔融缺乏孔隙和 MnS 夹杂物。通过不同工作电极面积的电位极化，将已确定的点蚀起始点的分布密度与锻造的 316 L 型不锈钢上发现的点蚀起始点的分布密度进行了比较。极化后对烧结 316 L 型不锈钢的表面观察结果表明，点蚀是在同时存在 MnS 和孔隙的位置引发的。通过降低孔隙率和去除 MnS，研究了孔隙和 MnS 包裹体在引发点蚀中的作用。
{"title":"Pitting corrosion characteristics of sintered Type 316 L stainless steel: relationship between pores and MnS","authors":"Haruka Saito, Masashi Nishimoto, Izumi Muto","doi":"10.1038/s41529-024-00482-6","DOIUrl":"10.1038/s41529-024-00482-6","url":null,"abstract":"In Type 316 L stainless steel fabricated from gas-atomized powder via spark plasma sintering, lack-of-fusion pores and MnS inclusions were identified as possible pitting initiation sites. Through potentiodynamic polarization with different working electrode areas, the distribution density of the identified pit initiation sites was compared with that of sites found on wrought Type 316 L stainless steel. Surface observations of the sintered Type 316 L after polarization suggest that pitting corrosion was initiated at a location where both MnS and pores existed. By reducing the porosity and removing MnS, the roles of pores and MnS inclusions in the initiation of pitting corrosion were investigated.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":" ","pages":"1-15"},"PeriodicalIF":5.1,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00482-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141287015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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