npj Materials Degradation最新文献

{"title":"Mineralogical and geochemical composition of a cementitious grout and its evolution during interaction with water","authors":"Sylvain Grangeon, Mathieu Debure, Valerie Montouillout, Erik Elkaim, Catherine Lerouge, Nicolas Maubec, Nicolas Michau, Xavier Bourbon, Christelle Martin, Benoit Cochepin, Nicolas Marty","doi":"10.1038/s41529-024-00488-0","DOIUrl":"10.1038/s41529-024-00488-0","url":null,"abstract":"In the present study, the chemical composition, mineralogy, and mechanisms of alteration of a cementitious grout based on a CEM III/C with addition of smectite, hydrotalcite, and silica fume, are studied using a combination of chemical and physical methods. This material was designed in the context of geological repository of radioactive wastes, with a twofold aim: first, to fill the technical voids left by drilling operations at the interface between the geological formation and the disposal galleries. Second, to neutralize a potential acidic transient due to pyrite oxidation, and to create an environment that favors low corrosion rates of carbon steels. The grout is mainly composed of calcium silicate hydrates having a Ca/Si ratio of ~0.8, incorporating Al in the bridging site of the Si chains (C-A-S-H), and accounting for 29–36 wt.% of the sample. It also contains silica fume (38–48 wt.%), smectite with interlayer Na (11–17 wt.%), hydrotalcite with interlayer CO32− (3–4 wt.%), and lower amounts of portlandite, calcite, and possibly gibbsite and gypsum. Upon alteration by water in a flow-through reactor, the main modifications affecting the sample are calcite and gypsum dissolution, hence releasing aqueous Ca2+ that is adsorbed in smectite interlayer by replacing Na+, and stoichiometric C-A-S-H dissolution. The evolution of solution chemistry and of the solid phase composition are reproduced successfully using a thermokinetic model.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":null,"pages":null},"PeriodicalIF":6.6,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00488-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141730367","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}

{"title":"Transient behavior of oxide fuels with controlled microstructure and Cr2O3 additive","authors":"Dong Zhao, Heng Ban, Kun Yang, Andre Broussard, Mingxin Li, Edward J. Lahoda, Jie Lian","doi":"10.1038/s41529-024-00486-2","DOIUrl":"10.1038/s41529-024-00486-2","url":null,"abstract":"Microstructure and Cr2O3 doping profoundly impact the thermal-mechanical properties and fracture of oxides fuels. It is a challenge to study the transient behavior of nuclear fuels under loss-of-coolant-event (LOCA). In this study, the crack behavior of UO2 pellets with controlled grain structure and Cr2O3 doping was tested with rapid power ramping (300−900 °C per min) mimicking a prototypical LOCA heating profile. Dense micron-sized UO2 pellets display well-maintained integrity without cracking with the ramping up to 1500 °C at a heating rate of 8 °C per second. Fracture occurs in both pure and Cr2O3-doped dense nano-sized UO2 pellets. The Cr2O3 doped oxide fuel pellet with a larger grain size (~ 22.2 μm) displays the best performance under LOCA testing due to its highest thermal conductivity under high temperature. FEA calculations suggest a temperature gradient across the fuel pellet during transient testing, resulting in residual stress and cracking, which can be correlated with their thermal-mechanical properties.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":null,"pages":null},"PeriodicalIF":6.6,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00486-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141631245","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}

{"title":"Study on the crystallographic orientation dependent electrochemical corrosion rates of aluminum and its binary alloys","authors":"Haini Jin, Yudong Sui, Xiaohua Yu, Hao Zhou, Jing Feng, Yehua Jiang","doi":"10.1038/s41529-024-00490-6","DOIUrl":"10.1038/s41529-024-00490-6","url":null,"abstract":"This paper provides a study for crystallographic orientation-dependent corrosion rate of aluminum employing an ab initio model with inputs from first-principles calculations. Results showed that the sequence of corrosion rate is in the order of (111) < (410) < (331) < (221) < (321) < (211) < (110) < (100) < (210) < (320) < (310) < (311) for aluminum. The predicted corrosion current densities for (111), (110), and (100) surfaces are in general agreement with the experimental results. The alloying effects were further investigated employing this model with results validated via the polarization curves of alloyed aluminum.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":null,"pages":null},"PeriodicalIF":6.6,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00490-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141631257","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}

{"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":null,"pages":null},"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}

{"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":null,"pages":null},"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}

{"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":null,"pages":null},"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}

{"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":null,"pages":null},"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}

{"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":null,"pages":null},"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}

{"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":null,"pages":null},"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}

{"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":null,"pages":null},"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}