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Data-driven diagnosis of high temperature PEM fuel cells based on the electrochemical impedance spectroscopy: Robustness improvement and evaluation

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Journal of Energy Chemistry 2024年第9期96卷 544-558页

作者： Dan Yu Xingjun Li Samuel Simon Araya Simon Lennart Sahlin Vincenzo Liso Department of Energy Aalborg UniversityAalborg 9220Denmark Walker Department of Mechanical Engineering The University of Texas at AustinAustinTX 78712USA Materials Research and Technology Development Luxembourg Institute of Science and Technology(LIST)4422 BelvauxLuxembourg

Utilizing machine learning techniques for data-driven diagnosis of high temperature PEM fuel cells is beneficial and meaningful to the system durability. Nevertheless, ensuring the robustness of diagnosis remains a critical and challenging task in real application. To enhance the robustness of diagnosis and achieve a more thorough evaluation of diagnostic performance, a robust diagnostic procedure based on electrochemical impedance spectroscopy (EIS) and a new method for evaluation of the diagnosis robustness was proposed and investigated in this work. To improve the diagnosis robustness: (1) the degradation mechanism of different faults in the high temperature PEM fuel cell was first analyzed via the distribution of relaxation time of EIS to determine the equivalent circuit model (ECM) with better interpretability, simplicity and accuracy;(2) the feature extraction was implemented on the identified parameters of the ECM and extra attention was paid to distinguishing between the long-term normal degradation and other faults;(3) a Siamese Network was adopted to get features with higher robustness in a new embedding. The diagnosis was conducted using 6 classic classification algorithms—support vector machine (SVM), K-nearest neighbor (KNN), logistic regression (LR), decision tree (DT), random forest (RF), and Naive Bayes employing a dataset comprising a total of 1935 collected EIS. To evaluate the robustness of trained models: (1) different levels of errors were added to the features for performance evaluation;(2) a robustness coefficient (Roubust_C) was defined for a quantified and explicit evaluation of the diagnosis robustness. The diagnostic models employing the proposed feature extraction method can not only achieve the higher performance of around 100% but also higher robustness for diagnosis models. Despite the initial performance being similar, the KNN demonstrated a superior robustness after feature selection and re-embedding by triplet-loss method, which sug

关键词： PEM fuel cell Data-driven diagnosis Robustness improvement and evaluation Electrochemical impedance spectroscopy

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Study of a mechano-electrochemical model: a numerical and experimental approach

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Emerging materials Research 2024年第40期40卷 1-15页

作者： Lv, Shengli Miao, Yuanyang Zhang, Wei Srivatsan, Tirumalai S. Gao, Xiaosheng College of Aeronautics Northwestern Polytechnical University Xi’an China Innovation Group of Marine Engineering Materials and Corrosion Control China Southern Marine Science and Engineering Guangdong Laboratory Zhuhai China Department of Mechanical Engineering The University of Akron AkronOH United States

The mechanochemical effects of elasticity and plasticity are introduced into a peridynamic (PD) corrosion model. A PD equation that couples the mechanics and kinetics of electrochemistry is proposed for the first time. This clarifies the influence of the mechanical load in governing the occurrence of diffusion during corrosion. The phase changes experienced by a material are used to characterize the movement of the corrosion boundary, and the concentration of material points is used to characterize the degree and extent of damage caused to the chosen metal. Immersion tests and in situ electrochemical tests are carried out, and the results are used to explore the effects of stress and/or load on the kinetics of environment-induced damage to an aluminum alloy. The model predictions are in good agreement with the experimental observations. The results of this study demonstrate that a coupled mechano-electrochemical PD corrosion model can capture corrosion-induced damage and can be used to study damage propagation upon exposure to an aggressive environment. © 2024 ICE Publishing. All rights reserved.

关键词： Electrochemistry

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锡基硫化物电催化剂中强且均匀的Sn–S键促进CO2到甲酸盐的高效转化（英文）

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science China materials 2025年第5期68卷 1602-1610页

作者：侯国禹崔洪花李亿程刘亚杨振艺赵明罗中箴邹志刚张玉 School of Mechanical and Power Engineering East China University of Science and Technology Laboratory of Eco-materials Advanced Technology College of Materials Science and EngineeringFuzhou University Department of Materials Science and Engineering National University of Singapore Eco-materials and Renewable Energy Research Center College of Engineering and Applied SciencesNanjing University

电化学CO2还原反应（CO2RR）是缓解全球CO2过量排放的有效途径之一.相比于单纯的金属催化剂,金属硫化物普遍具有更高的甲酸盐选择性及活性,因此被认为是一类独特的CO2RR电催化剂.然而,该类催化剂在负电位易发生组分还原,从而导致S元素... 详细信息

电化学CO2还原反应（CO2RR）是缓解全球CO2过量排放的有效途径之一.相比于单纯的金属催化剂,金属硫化物普遍具有更高的甲酸盐选择性及活性,因此被认为是一类独特的CO2RR电催化剂.然而,该类催化剂在负电位易发生组分还原,从而导致S元素大量溢出.在此,我们合成了一系列具有高结晶度的硫化锡（SnS,Sn2S3和SnS2）作为模型催化剂,揭示了Sn–S键强在原子构型上的分布对甲酸盐生成选择性及活性的影响规律.其中,SnS2具有较强且均匀分布的Sn–S键,能够有效抑制S溢出,形成有利于CO2RR的Sn/SnS2异质界面;而SnS的Sn–S键强较弱,导致其在CO2RR过程中快速还原成惰性金属Sn.而具有混合键强的Sn2S3则从最弱的Sn–S键开始断裂,引发了更加快速的组分还原,表现出较差的CO2RR性能.因此,S nS2表现出最高的甲酸盐法拉第效率9 3.8%±0.5 9%(-1.0VRHE)及最高的偏电流密度(195.3 mA cm-2,-1.2 VRHE).该工作为深入理解金属基硫化物中金属-硫键强及其分布对CO2RR制甲酸盐的影响提供一定的科学依据.

关键词： CO2 reduction tin sulfides bond strength formate S loss

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Rheological and stability analysis of cement pastes incorporating silica-based wastes

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Particuology 2024年第6期89卷 144-152页

作者： Julia da Rosa Martins Janaíde Cavalcante Rocha Dachamir Hotza Luciano Senff Graduate Program in Materials Science and Engineering(PPGMAT) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Graduate Program in Civil Engineering(PPGEC) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Graduate Program in Chemical Engineering(POSENQ) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Department of Mobility Engineering Federal University of Santa Catarina(UFSC)Joinville89219-600SCBrazil

This study investigates the influence of waste characteristics,especially zeta potential,on the properties of cement pastes and *** focus is to evaluate the impact of the zeta potential of cement particles and waste materials on the sedimentation speed,rheology,and hardening time of stabilized cement *** Cement II F 40,retarder additive,silica,and fly ash were used in the *** pastes were prepared,and during the stabilization period,their rheological properties and pH were *** zeta potential and sedimentation speed of the cement and waste particles were measured at the pH that the pastes presented during the entire stabilization *** the stabilization period,the pastes were subjected to the hardening time *** zeta potential analyses revealed diverse values for the different powder types,with the cement particles exhibiting a zeta potential of−3.0 mV,the silica particles exhibiting−10.5 mV,and the fly ash particles exhibiting−20.3 *** influence of the high zeta potential modulus was observed on the sedimentation speed,with the solution containing fly ash exhibiting a speed of 40.01μm/s,whereas the solution containing only cement exhibited a speed of 99.38μm/*** the pastes,the results indicate that the presence of fly ash particles with a significantly negative zeta potential led to a 16%reduction in hardening time compared to particles with a lower modulus of zeta *** tests showed that the inclusion of fly ash particles prevented the formation of *** the zeta potential influenced agglomerate formation and hardening time,it was found to have no effect on yield stress or viscosity.

关键词： Wastes Zeta potential Setting time Rheometry

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Self-supported copper-based gas diffusion electrodes improve the local CO_(2)concentration for efficient electrochemical CO_(2)reduction

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Frontiers of Chemical science and engineering 2024年第3期18卷 51-62页

作者： Azeem Mustafa Bachirou Guene Lougou Yong Shuai Zhijiang Wang Haseeb-ur-Rehman Samia Razzaq Wei Wang Ruming Pan Jiupeng Zhao Key Laboratory of Aerospace Thermophysics of MIIT Harbin Institute of TechnologyHarbin150001China School of Energy Science and Engineering Harbin Institute of TechnologyHarbin150001China MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin150001China Mechanical Engineering Department University of Engineering and TechnologyTaxila47050Pakistan School of Aerospace Mechanical and Mechatronics EngineeringUniversity of SydneySydney2006Australia

Electrochemical CO_(2)reduction is a sustainable approach in green chemistry that enables the production of valuable chemicals and fuels while mitigating the environmental impact associated with CO_(2)*** its several advantages,this technology suffers from an intrinsically low CO_(2)solubility in aqueous solutions,resulting in a lower local CO_(2)concentration near the electrode,which yields lower current densities and restricts product *** diffusion electrodes(GDEs),particularly those with tubular architectures,can solve these issues by increasing the local CO_(2)concentration and triple-phase interface,providing abundant electroactive sites to achieve superior reaction *** this study,robust and self-supported Cu flow-through gas diffusion electrodes(FTGDEs)were synthesized for efficient formate production via electrochemical CO_(2)*** were further compared with traditional Cu electrodes,and it was found that higher local CO_(2)concentration due to improved mass transfer,the abundant surface area available for the generation of the triple-phase interface,and the porous structure of Cu FTGDEs enabled high formate Faradaic efficiency(76%)and current density(265 mA¸cm^(−2))at–0.9 V *** hydrogen electrode(RHE)in 0.5 mol·L^(−1)*** combined phase inversion and calcination process of the Cu FTGDEs helped maintain a stable operation for several *** catalytic performance of the Cu FTGDEs was further investigated in a non-gas diffusion configuration to demonstrate the impact of local gas concentration on the activity and performance of electrochemical CO_(2)*** study demonstrates the potential of flow-through gas-diffusion electrodes to enhance reaction kinetics for the highly efficient and selective reduction of CO_(2),offering promising applications in sustainable electrochemical processes.

关键词： CO_(2)electroreduction flow-through delivery hollow fiber structure local concentration formate

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Development of Interpenetrating Phase Structure AZ91/Al_(2)O_(3)Composites with High Stiffness,Superior Strength and Low Thermal Expansion Coefficient

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Acta Metallurgica Sinica(English Letters) 2025年第2期38卷 245-258页

作者： Zhiqing Chen Zhixian Zhao Yiqiang Hao Xiaoling Chen Liping Zhou Jingya Wang Tao Ying Bin Chen Xiaoqin Zeng National Engineering Research Center of Light Alloy Net Forming and State Key Laboratory of Metal Matrix Composite Shanghai Jiao Tong UniversityShanghai 200240China School of Materials Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China Department of Mechanical Engineering the University of Hong KongPok Fu Lam RoadHong KongChina

Mg alloys have the defects of low stiffness,low strength,and high coefficient of thermal expansion(CTE).The composites strategy and its architecture design are effective approaches to improve the comprehensive performance of materials,but the processing difficulty,especially in ceramics forming,limits the control and innovation of material ***,combined with 3D printing and squeeze infiltration technology,two precisely controllable architectures of AZ91/Al_(2)O_(3)interpenetrating phase composites(IPC)with ceramic scaffold were *** interface,properties and impact of different architecture on IPC performance were studied by experiments and finite element *** metallurgical bonding of the interface was realized with the formation of MgAl_(2)O_(4)reaction *** IPC with 1 mm circular hole scaffold(1C-IPC)exhibited significantly improved elastic modulus of 164 GPa,high compressive strength of 680 MPa,and good CTE of 12.91×10^(-6)K^(−1),which were 3.64 times,1.98 times and 55%of the Mg matrix,*** elastic modulus,compressive strength,and CTE were superior to the vast majority of Mg alloys and Mg based *** reinforcement and matrix were bicontinuous and interpenetrating each other,which played a critical role in ensuring the potent strengthening effect of the Al_(2)O_(3)reinforcement by efficient load *** the same volume fraction of reinforcements,compared to IPC with 1 mm hexagonal hole scaffold(1H-IPC),the elastic modulus and compressive strength of 1C-IPC increased by 15%and 28%,respectively,which was due to the reduced stress concentration and more uniform stress distribution of *** shows great potential of architecture design in improving the performance of *** study provides architectural design strategy and feasible preparation method for the development of high performance materials.

关键词： Interpenetrating phase composites Al_(2)O_(3)/Mg composites Interface Elastic modulus Compressive strength Coefficient of thermal expansion(CTE)

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Effect of graphene oxide on the corrosion,mechanical and biological properties of Mg-based nanocomposite

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International Journal of Minerals,Metallurgy and materials 2022年第2期29卷 305-319页

作者： Saeid Jabbarzare Hamid Reza Bakhsheshi-Rad Amir Abbas Nourbakhsh Tahmineh Ahmadi Filippo Berto Department of Materials Science Shahreza BranchIslamic Azad UniversityShahrezaIran Advanced Materials Research Center Department of Materials EngineeringNajafabad BranchIslamic Azad UniversityNajafabadIran Department of Mechanical and Industrial Engineering Norwegian University of Science and Technology7491 TrondheimNorway

This study investigates the effect of graphene oxide(GO)on the mechanical and corrosion behavior,antibacterial performance,and cell response of Mg–Zn–Mn(MZM)***/GO nanocomposites with different amounts of GO(i.e.,0.5 wt%,1.0 wt%,and1.5 wt%)were fabricated by the semi-powder metallurgy *** influence of GO on the MZM nanocomposite was analyzed through the hardness,compressive,corrosion,antibacterial,and cytotoxicity *** experimental results showed that,with the increase in the amount of GO(0.5 wt%and 1.5 wt%),the hardness value,compressive strength,and antibacterial performance of the MZM nanocomposite increased,whereas the cell viability and osteogenesis level decreased after the addition of 1.5 wt%***,the electrochemical examination results showed that the corrosion behavior of the MZM alloy was significantly enhanced after encapsulation in 0.5 wt%*** summary,MZM nanocomposites reinforced with GO can be used for implant applications because of their antibacterial performance and mechanical property.

关键词： magnesium-based nanocomposite graphene oxide powder metallurgy method mechanical property antibacterial activity biocompatibility

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Discovering plasticity models without stress data

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npj Computational materials 2022年第1期8卷 857-866页

作者： Moritz Flaschel Siddhant Kumar Laura De Lorenzis Department of Mechanical and Process Engineering ETH Zürich8092ZürichSwitzerland Department of Materials Science and Engineering Delft University of Technology2628 CDDelftThe Netherlands

We propose an approach for data-driven automated discovery of material laws,which we call EUCLID(Efficient Unsupervised Constitutive Law Identification and Discovery),and we apply it here to the discovery of plasticity models,including arbitrarily shaped yield surfaces and isotropic and/or kinematic hardening *** approach is unsupervised,i.e.,it requires no stress data but only full-field displacement and global force data;it delivers interpretable models,i.e.,models that are embodied by parsimonious mathematical expressions discovered through sparse regression of a potentially large catalog of candidate functions;it is one-shot,i.e.,discovery only needs one *** material model library is constructed by expanding the yield function with a Fourier series,whereas isotropic and kinematic hardening is introduced by assuming a yield function dependency on internal history variables that evolve with the plastic *** selecting the most relevant Fourier modes and identifying the hardening behavior,EUCLID employs physics knowledge,i.e.,the optimization problem that governs the discovery enforces the equilibrium constraints in the bulk and at the loaded boundary of the *** promoting regularization is deployed to generate a set of solutions out of which a solution with low cost and high parsimony is automatically *** virtual experiments,we demonstrate the ability of EUCLID to accurately discover several plastic yield surfaces and hardening mechanisms of different complexity.

关键词： stress plasticity selecting

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Molecular Dynamics Study on Tensile Strength of Ni-10Cu Alloy with Pre-existing Σ3 Grain Boundary 1

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International Conference on mechanical engineering, INCOME 2023

作者： Dora, T.L. Singh, Sandeep Kumar Verma, Akarsh Mishra, Radha Raman Department of Mechanical Engineering Birla Institute of Technology and Science Pilani Pilani Rajasthan333031 India Department of Mechanical and Materials Engineering Queen’s University Kingston Canada Department of Mechanical Engineering University of Petroleum and Energy Studies Dehradun248007 India

ISBN: (数字)9789819738748

ISBN: (纸本)9789819738731

Molecular dynamics simulations were performed to understand the mechanical properties of Ni-10Cu alloy with pre-existing faceted Σ3 [111] 60° {11 8 5} grain boundary under uniaxial tensile loading at various strain rates and temperatures. An atomistic level tensile deformation study was carried out at different temperatures ranging from 100–500 K and at different strain rates ranging from 108–1010 s−1. From this investigation, it was found that with the increase in temperature, both Young’s modulus and yield strength tend to decrease;whereas with an increase in strain rate, both show an increased value. The dislocation extraction algorithm study revealed that the presence of a high amount of dislocation at high strain rates and low temperatures leads to increase in the ductility of alloy system. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Grain boundaries

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Designing electrodes and electrolytes for batteries by leveraging deep learning

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Nano Research Energy 2024年第2期3卷 83-99页

作者： Chenxi Sui Ziyang Jiang Genesis Higueros David Carlson Po-Chun Hsu Pritzker School of Molecular Engineering University of ChicagoChicagoIL 60637USA Civil and Environmental Engineering Duke UniversityDurhamNC 27708USA Thomas Lord Department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA

High-performance batteries are poised for electrification of vehicles and therefore mitigate greenhouse gas emissions,which,in turn,promote a sustainable ***,the design of optimized batteries is challenging due to the nonlinear governing physics and *** advancements have demonstrated the potential of deep learning techniques in efficiently designing batteries,particularly in optimizing electrodes and *** review provides comprehensive concepts and principles of deep learning and its application in solving battery-related electrochemical problems,which bridges the gap between artificial intelligence and *** also examine the potential challenges and opportunities associated with different deep learning approaches,tailoring them to specific battery ***,we aim to inspire future advancements in both fundamental scientific understanding and practical engineering in the field of battery ***,we highlight the potential challenges and opportunities for different deep learning methods according to the specific battery demand to inspire future advancement in fundamental science and practical engineering.

关键词： battery design fast-charging battery three-dimensional(3D)structure deep learning optimization

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