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XGBoost model for the quantitative assessment of stress corrosion cracking 采用XGBoost模型对应力腐蚀开裂进行定量评价
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-18 DOI: 10.1038/s41529-024-00538-7
Abraham Rojas Z, Sam Bakhtiari, Chris Aldrich, Victor M. Calo, Mariano Iannuzzi
This study employs a data-driven methodology to assess the susceptibility of Fe-Cr-Ni alloys to stress corrosion cracking (SCC) in chloride-containing environments. Historical data from constant-load SCC testing in boiling magnesium chloride were used to train an XGBoost regression model. This model overcomes limitations related to multicollinearity and insufficient sample sizes seen in previous studies. The XGBoost model captures complex interactions between alloy compositions and stresses, explaining 94.9% (R² = 0.949) of SCC susceptibility of the specimens. Shapley additive explanations (SHAP) were employed to interpret the model, offering new metallurgical insights, such as the critical role of nickel content. The SHAP analysis identified an optimal nickel range between 14.5 and 45 wt%, which markedly enhances SCC resistance. The XGBoost-SHAP framework in this work comprehensively isolates the contributions of chemical constituents and stress, offering a path toward more systematic alloy design—departing from the traditional reliance on trial and error or serendipity.
本研究采用数据驱动的方法来评估Fe-Cr-Ni合金在含氯化物环境中对应力腐蚀开裂(SCC)的敏感性。使用煮沸氯化镁恒负荷SCC试验的历史数据训练XGBoost回归模型。该模型克服了以往研究中出现的多重共线性和样本量不足的局限性。XGBoost模型捕获了合金成分与应力之间复杂的相互作用,解释了94.9% (R²= 0.949)的试样SCC敏感性。Shapley添加剂解释(SHAP)被用来解释模型,提供了新的冶金见解,如镍含量的关键作用。SHAP分析确定了最佳的镍含量范围在14.5 ~ 45%之间,显著提高了抗SCC能力。这项工作中的XGBoost-SHAP框架全面隔离了化学成分和压力的影响,为更系统化的合金设计提供了一条途径,摆脱了传统上对试验和错误或意外发现的依赖。
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引用次数: 0
Dual anaerobic reactor model to study biofilm and microbiologically influenced corrosion interactions on carbon steel 研究生物膜和微生物对碳钢腐蚀相互作用的双厌氧反应器模型
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-06 DOI: 10.1038/s41529-024-00542-x
Liam Jones, Maria Salta, Torben Lund Skovhus, Kathryn Thomas, Timothy Illson, Julian Wharton, Jeremy Webb
Continual challenges due to microbial corrosion are faced by the maritime, offshore renewable and energy sectors. Understanding the biofilm and microbiologically influenced corrosion interaction is hindered by the lack of robust and reproducible physical models that reflect operating environments. A novel dual anaerobic biofilm reactor, using a complex microbial consortium sampled from marine littoral sediment, allowed the electrochemical performance of UNS G10180 carbon steel to be studied simultaneously in anaerobic abiotic and biotic artificial seawater. Critically, DNA extraction and 16S rRNA amplicon sequencing demonstrated the principal biofilm activity was due to electroactive bacteria, specifically sulfate-reducing and iron-reducing bacteria.
海洋、海上可再生能源和能源部门面临着微生物腐蚀带来的持续挑战。由于缺乏反映操作环境的可靠且可重复的物理模型,因此很难理解生物膜和微生物对腐蚀相互作用的影响。采用一种新型的双厌氧生物膜反应器,利用从海洋沿岸沉积物中取样的复杂微生物群落,同时研究了UNS G10180碳钢在厌氧非生物和生物人工海水中的电化学性能。关键的是,DNA提取和16S rRNA扩增子测序表明,主要的生物膜活性是由于电活性细菌,特别是硫酸盐还原细菌和铁还原细菌。
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引用次数: 0
Corrosion processes affecting copper-coated used fuel containers for the disposal of spent nuclear fuel: critical review of the state-of-knowledge 影响处置乏核燃料的镀铜乏燃料容器的腐蚀过程:对现有知识状况的批判性审查
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-04 DOI: 10.1038/s41529-024-00540-z
Colleen O. Harper, Julie L. Brown, Richard T. Amos
The uniqueness of the Canadian spent nuclear fuel disposal container design requires a detailed understanding of the copper corrosion processes that could occur in deep geological repositories. This review aimed to identify knowledge gaps surrounding impacts of changing conditions and the evolution of corrosion processes as conditions change from moist/cool, through warm/dry, to cool/fully saturated. This review indicates that early, unsaturated corrosion, and compounding influences of previous corrosion are understudied.
加拿大乏核燃料处理容器设计的独特性要求详细了解深层地质储存库中可能发生的铜腐蚀过程。这篇综述旨在确定随着环境从潮湿/凉爽、温暖/干燥到凉爽/完全饱和变化,环境变化对腐蚀过程的影响和演变的知识差距。这一综述表明,早期的不饱和腐蚀以及先前腐蚀的复合影响还有待研究。
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引用次数: 0
Effects of electropolishing and plasma ion nitriding on UNS S31603 corrosion in ship scrubber water 电抛光和等离子体离子氮化对船舶洗涤器水中UNS S31603腐蚀的影响
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-30 DOI: 10.1038/s41529-024-00521-2
Hyun-Kyu Hwang, Seong-Jong Kim
Marine scrubbers use seawater as washing water and are damaged by sulfur oxides and chlorides during desulfurization. Therefore, surface treatments to enhance corrosion and pitting resistance of scrubber materials must be investigated. This investigation conducts cyclic potentiodynamic polarization experiments to analyze the effects of electropolishing and plasma ion nitiriding of UNS S31603 in washing water. The corrosion current density (0.186 μA cm-2) of electropolishing is significantly lower than mechanical polishing (1.125 μA cm-2), but plasma ion nitriding is higher (18.995 μA cm-2). Electropolishing forms a uniform and dense passivation film, increasing corrosion resistance, whereas plasma ion nitriding reduces corrosion resistance due to CrN formation. All specimens present local corrosion. Electropolishing reduces the maximum damage depth by 110.13 μm and increases pitting potential by 0.32 V compared to mechanical polishing. Plasma ion nitriding reduces maximum damage depth by 46.59 μm due to suppression of local acidification during hydrolysis.
船用洗涤器使用海水作为洗涤水,在脱硫过程中会受到硫氧化物和氯化物的破坏。因此,必须研究提高洗涤材料耐腐蚀和抗点蚀性的表面处理方法。通过循环动电位极化实验,分析了洗涤水中电解抛光和等离子离子氮化对UNS S31603镀层的影响。电解抛光的腐蚀电流密度(0.186 μA cm-2)明显低于机械抛光(1.125 μA cm-2),而等离子体离子氮化的腐蚀电流密度(18.995 μA cm-2)高于机械抛光。电抛光形成均匀致密的钝化膜,提高了耐蚀性,而等离子离子氮化由于CrN的形成而降低了耐蚀性。所有试样均存在局部腐蚀。与机械抛光相比,电解抛光的最大损伤深度降低了110.13 μm,点蚀电位提高了0.32 V。等离子体离子氮化抑制了水解过程中的局部酸化,最大损伤深度降低了46.59 μm。
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引用次数: 0
The effect of antibacterial peptide ε-Polylysine against Pseudomonas aeruginosa biofilm in marine environment 抗菌肽ε-聚赖氨酸对海洋环境中铜绿假单胞菌生物膜的影响
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-29 DOI: 10.1038/s41529-024-00539-6
Siwei Wu, Quantong Jiang, Dongzhu Lu, Xiaofan Zhai, Jizhou Duan, Baorong Hou
Natural antibacterial agents with antimicrobial properties have a broad potential to prevent bacterial from forming biofilms adhesion in marine environments. ε-Polylysine (E-PL) consist of homomeric polymer with 25–30 lysine residues with stability, nontoxicity, and biodegradability. ε-Polylysine is a natural cationic antibacterial peptide that can resist microbial forming biofilm adhesion. The current study investigated the action of E-PL against Pseudomonas aeruginosa biofilm isolated from a marine environment. Crystal violet staining was used to examine the effects of E-PL on the formation and destruction of mature biofilms. Scanning Electron and fluorescence microscopy revealed that E-PL treatment damaged the biofilm structure and affected the secretion of extracellular polymers. The CCK8 colorimetric assay showed that E-PL also decreased the metabolic activity and motility of biofilm bacteria. QPCR and transcriptome analysis revealed that E-PL affected biofilm formation and transcriptional regulation by downregulating genes involved in flagellar synthesis (flgE, PA4651, pilW), chemotaxis transduction (PA1251, PA4951, PA4788), biofilm biosynthesis (pelC, pelD, pslK, plsM), transcriptional regulation (PA3973, PA3508, PA0268), phenazine biosynthesis (phzM, phzH, phzS), and electron transfer (PA5401, PA5400, PA3492). This study used multiple methods to identify the mechanism of E-PL action against biofilm, informing the design of novel biofilm treatment methods.
具有抗菌性能的天然抗菌剂在防止细菌在海洋环境中形成生物膜粘附方面具有广阔的潜力。ε-聚赖氨酸(E-PL)由25-30个赖氨酸残基组成,具有稳定性、无毒性和可生物降解性。ε-聚赖氨酸是一种天然阳离子抗菌肽,能抵抗微生物形成生物膜粘附。本研究研究了E-PL对海洋环境中铜绿假单胞菌生物膜的作用。结晶紫染色检测E-PL对成熟生物膜形成和破坏的影响。扫描电镜和荧光显微镜显示,E-PL处理破坏了生物膜结构,影响了细胞外聚合物的分泌。CCK8比色分析表明,E-PL还降低了生物膜细菌的代谢活性和运动性。QPCR和转录组分析显示,E-PL通过下调鞭毛合成基因(flgE、PA4651、pilW)、趋化转导基因(PA1251、PA4951、PA4788)、生物膜生物合成基因(pelC、pelD、pslK、plsM)、转录调控基因(PA3973、PA3508、PA0268)、非那酮生物合成基因(phzM、phzH、phzS)和电子传递基因(PA5401、PA5400、PA3492)影响生物膜的形成和转录调控。本研究通过多种方法确定E-PL对生物膜的作用机制,为新型生物膜处理方法的设计提供依据。
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引用次数: 0
Effect of Nb contents on the passivation behavior of high-strength anti-seismic rebar in concrete environments Nb含量对混凝土环境中高强度抗震钢筋钝化性能的影响
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-29 DOI: 10.1038/s41529-024-00543-w
Zeyun Zeng, Shangjun Gu, Jie Wang, Fulong Wei, Xiang Xie, Zhiying Li, Hui Yang, Changrong Li
In this study, the surface analysis, cross-section analysis and electrochemical analysis were used to explore the formation mechanism of Nb contents on the passive film of high-strength anti-seismic rebar in simulated concrete pore solution. The passivation experiments confirmed that the addition of Nb promoted the stability and compactness of surface passive film of Nb-containing rebar, and the passivation efficiency of Nb-containing rebar was stronger than that of CS rebar. Firstly, with the decreases of pH, the increases of Nb promoted that the outer layer of the passive film were mainly composed of Fe oxides and Fe oxyhydroxides, the inner layer were mainly composed of Fe oxides and Nb oxides. Secondly, the increases of Nb were beneficial to the formation of Nb oxides, which enhanced the passivation rate of the passive film and inhibited the degradation of Fe oxides, thus enhancing the thickness of surface passive film of Nb-containing rebar.
本研究通过表面分析、截面分析和电化学分析,探讨了模拟混凝土孔隙溶液中高强度抗震钢筋被动膜上Nb含量的形成机理。钝化实验证实,Nb的加入促进了含Nb螺纹钢表面钝化膜的稳定性和致密性,且含Nb螺纹钢的钝化效率高于CS螺纹钢。首先,随着pH的降低,Nb的增加促使钝化膜外层主要由铁氧化物和铁氢氧化物组成,内层主要由铁氧化物和Nb氧化物组成。其次,Nb的增加有利于Nb氧化物的形成,从而提高了钝化膜的钝化速率,抑制了Fe氧化物的降解,从而提高了含Nb钢筋表面钝化膜的厚度。
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引用次数: 0
Bayesian assessment of commonly used equivalent circuit models for corrosion analysis in electrochemical impedance spectroscopy 电化学阻抗谱中腐蚀分析常用等效电路模型的贝叶斯评估
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-28 DOI: 10.1038/s41529-024-00537-8
Runze Zhang, Debashish Sur, Kangming Li, Julia Witt, Robert Black, Alexander Whittingham, John R. Scully, Jason Hattrick-Simpers
Electrochemical Impedance Spectroscopy (EIS) is a crucial technique for assessing corrosion of metallic materials. The analysis of EIS hinges on the selection of an appropriate equivalent circuit model (ECM) that accurately characterizes the system under study. In this work, we systematically examined the applicability of three commonly used ECMs across several typical material degradation scenarios. By applying Bayesian Inference to simulated corrosion EIS data, we assessed the suitability of these ECMs under different corrosion conditions and identified regions where the EIS data lacks sufficient information to statistically substantiate the ECM structure. Additionally, we posit that the traditional approach to EIS analysis, which often requires measurements to very low frequencies, might not be always necessary to correctly model the appropriate ECM. Our study assesses the impact of omitting data from low to medium-frequency ranges on inference results and reveals that a significant portion of low-frequency measurements can be excluded without substantially compromising the accuracy of extracting system parameters. Further, we propose simple checks to the posterior distributions of the ECM components and posterior predictions, which can be used to quantitatively evaluate the suitability of a particular ECM and the minimum frequency required to be measured. This framework points to a pathway for expediting EIS acquisition by intelligently reducing low-frequency data collection and permitting on-the-fly EIS measurements.
电化学阻抗谱(EIS)是评价金属材料腐蚀的一项重要技术。EIS的分析取决于选择合适的等效电路模型(ECM)来准确表征所研究的系统。在这项工作中,我们系统地检查了三种常用ecm在几种典型材料降解场景中的适用性。通过将贝叶斯推理应用于模拟腐蚀EIS数据,我们评估了这些ECM在不同腐蚀条件下的适用性,并确定了EIS数据缺乏足够信息来统计证实ECM结构的区域。此外,我们假设传统的EIS分析方法通常需要测量非常低的频率,对于正确建模适当的ECM可能并不总是必要的。我们的研究评估了从低频到中频范围忽略数据对推理结果的影响,并揭示了低频测量的很大一部分可以被排除,而不会大大损害提取系统参数的准确性。此外,我们提出了对ECM成分的后验分布和后验预测的简单检查,可用于定量评估特定ECM的适用性和需要测量的最小频率。该框架指出了通过智能减少低频数据收集和允许实时EIS测量来加快EIS采集的途径。
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引用次数: 0
Systematic quantification of hydrogen in pipeline steel by atom probe tomography after ambient charging and transfer 通过原子探针层析成像技术对管道钢中的氢进行系统定量分析
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-18 DOI: 10.1038/s41529-024-00528-9
Shuohan Wang, Peng Zhang, Majid Laleh, Lu Jiang, Mike Yongjun Tan, Ross K. W. Marceau
Atom probe tomography (APT) is a promising tool to measure the atomic-scale distribution of hydrogen in solid matter for the assessment of hydrogen embrittlement susceptibility of materials. However, the accuracy of such measurements resulting from ambient charging and transfer experiments needs to be established. In this work, APT quantification of hydrogen (H) and deuterium (D) in a typical X65 pipeline steel has been determined after ambient charging and transfer to ascertain the contribution of artifacts to the measured H/D signal. A series of experimental workflows related to sample preparation (electropolishing, focussed ion beam) and electrochemical charging conditions (different electrolytes and charging potentials) were explored for H/D measurement using APT. The results show that APT can be used to measure charged H/D with statistical confidence after ambient charging and transfer, that hydrogen ingress occurs during electropolishing, and using a more negative charging potential will introduce more H/D into the material.
原子探针层析成像(APT)是测量固体物质中氢的原子尺度分布以评估材料氢脆敏感性的一种很有前途的工具。然而,这种由环境充填和转移实验得出的测量结果的准确性还有待确定。在这项工作中,我们测定了典型 X65 管线钢中氢 (H) 和氘 (D) 在环境充填和转移后的 APT 定量,以确定伪影对 H/D 信号测量的影响。在使用 APT 测量 H/D 时,探索了一系列与样品制备(电抛光、聚焦离子束)和电化学充电条件(不同的电解质和充电电位)相关的实验工作流程。结果表明,在环境充电和转移之后,APT 可用于测量带电的 H/D,并具有统计置信度;在电抛光过程中会发生氢气渗入;使用更负的充电电位会将更多的 H/D 引入材料中。
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引用次数: 0
Corrosion evaluation of Al-Cu-Mn-Zr cast alloys in 3.5% NaCl solution 3.5% NaCl 溶液中 Al-Cu-Mn-Zr 铸造合金的腐蚀评估
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-09 DOI: 10.1038/s41529-024-00519-w
Jiheon Jun, Amit Shyam, Sumit Bahl, Yi-Feng Su, J. Allen Haynes
Corrosion behavior of cast Al-Cu-Mn-Zr (ACMZ) and RR350 alloys was compared to a cast 319 alloy in 3.5 wt.% NaCl. After 168 h immersion, ACMZ and RR350 alloys suffered from preferential attack adjacent to intermetallic particles decorated at grain boundaries while the attack in 319 occurred in eutectic Al-Si dendritic boundaries. Electrochemical data allowed semiquantitative comparison of alloy resistance to corrosion initiation, and ACMZ type alloys, including RR350 and three alloys with higher Cu, were considered more resistant than 319 due to the absence of deleterious Si particles. In case of 319, such Si particles presumably drove higher micro-galvanic influence to initiate and sustain Al corrosion. With lower susceptibility to corrosion initiation, ACMZ alloys should exhibit higher or at minimum similar resistance compared to cast 319.
将铸造的 Al-Cu-Mn-Zr (ACMZ) 和 RR350 合金与铸造的 319 合金在 3.5 wt.% 氯化钠中的腐蚀行为进行了比较。浸泡 168 小时后,ACMZ 和 RR350 合金在晶界金属间微粒附近受到优先侵蚀,而 319 合金的侵蚀发生在共晶铝-硅树枝状晶界。电化学数据可对合金的抗腐蚀能力进行半定量比较,ACMZ 型合金(包括 RR350 和三种铜含量较高的合金)由于不含有害的硅颗粒,因此被认为比 319 的抗腐蚀能力更强。就 319 而言,这些硅颗粒可能会产生更高的微电蚀作用,从而引发和维持铝腐蚀。与铸件 319 相比,ACMZ 合金的腐蚀起始敏感性较低,因此应表现出更高或最低类似的耐腐蚀性。
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引用次数: 0
Fracture analysis under modes I and II of adhesive joints on CFRP in saline environment 盐水环境中 CFRP 粘接接头在模式 I 和 II 下的断裂分析
IF 6.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-07 DOI: 10.1038/s41529-024-00535-w
P. Vigón, A. Argüelles, M. Lozano, J. Viña
This study analyzes the delamination behavior of adhesive joints after exposure to a saline environment for zero, one, and twelve weeks. Delamination was assessed under static and fatigue loading conditions in fracture Modes I and II, with a detailed analysis of fracture surfaces using Scanning Electron Microscopy (SEM) and Backscattered Electron (BSE) detection. The 3D images reveal significant morphological differences in fracture surfaces, showing variations in fatigue lines and the presence of impurities depending on the fracture mode. A probabilistic fatigue life analysis was performed using a Weibull regression model, showing notable changes, especially in Mode I at a high number of cycles. A chemical analysis using EDX and FTIR-ATR complemented the mechanical study, revealing an increase in sodium and chlorine concentrations with prolonged saline exposure. Oxidative degradation was also observed, with carbonyl groups increasing significantly over time, particularly in areas most exposed to the saline mist.
本研究分析了粘合剂接头在盐水环境中暴露零周、一周和十二周后的分层行为。在断裂模式 I 和 II 的静态和疲劳加载条件下对分层进行了评估,并使用扫描电子显微镜 (SEM) 和背散射电子 (BSE) 检测对断裂表面进行了详细分析。三维图像显示断裂表面存在明显的形态差异,根据断裂模式的不同,疲劳线和杂质的存在也有所不同。使用 Weibull 回归模型进行了概率疲劳寿命分析,结果显示了明显的变化,尤其是在高循环次数的模式 I 中。使用 EDX 和 FTIR-ATR 进行的化学分析是对机械研究的补充,结果表明随着盐水暴露时间的延长,钠和氯的浓度也在增加。此外,还观察到氧化降解现象,羰基随着时间的推移显著增加,尤其是在盐雾暴露最严重的区域。
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引用次数: 0
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npj Materials Degradation
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