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microstructure-based modeling of inner oxygen pressure in solid oxide electrolysis cells: Analysis of electrode delamination and mitigation

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JOURNAL OF POWER SOURCES 2025年 631卷

作者： Xue, Fei Lei, Yinkai Cheng, Tian-Le Yang, Tao Epting, William K. Abernathy, Harry Wen, You-Hai Natl Energy Technol Lab 1450 Queen Ave SW Albany OR 97321 USA 1450 Queen Ave SW Albany OR 97321 USA Natl Energy Technol Lab 3610 Collins Ferry Rd Morgantown WV 26505 USA 3610 Collins Ferry Rd Morgantown WV 26505 USA

One of the major degradation mechanisms in the long-term operation of solid oxide electrolysis cells (SOECs) is the delamination of oxygen electrodes (OEs), driven by high inner oxygen pressure near the OE-electrolyte interface. However, the effects of transport properties and electrode thickness on the inner oxygen pressure are not well understood. This study employs a microstructure-based electrochemical model that accounts for electron and oxygen ion conduction, along with Butler-Volmer-type chemical reactions at triple-phaseboundaries (TPBs), to investigate the oxygen pressure in lanthanum strontium manganate (LSM)-based SOECs. The model is applied to both two-dimensional (2D) prototype microstructures and three-dimensional (3D) realistic microstructures, with the oxygen pressure evaluated as a function of transport properties and electrode thickness under both potentiostatic and galvanostatic operations. The simulation results suggest that electrode delamination can be mitigated by enhancing the ionic conductivities and thickness of the OE under potentiostatic operation, and by enhancing the ionic conductivities in the electrolyte and OE, as well as optimizing the thickness of OE under galvanostatic operation. The simulation results are compared to an analytical solution, with the discrepancies attributed to the Butler-Volmer-type kinetics included in the microstructure-based model.

关键词： microstructure-based modeling Electrode delamination Solid oxide electrolysis cells Inner oxygen pressure

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microstructure-based modeling of the influence of particle spatial distribution and fracture on. crack growth in particle-reinforced composites

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ACTA MATERIALIA 2007年第18期55卷 6064-6073页

作者： Ayyar, A. Chawla, N. Arizona State Univ Fulton Sch Engn Dept Mech & Aerosp Engn Tempe AZ 85287 USA Arizona State Univ Fulton Sch Engn Sch Mat Tempe AZ 85287 USA

The crack growth behavior of particle-reinforced composites is determined by several factors, such as volume fraction, particle size, particle morphology, spatial distribution and particle strength. Thus, an accurate and robust numerical model must incorporate the true microstructure of the particles. It will be shown that the strength of the reinforcement particles is also an important factor. Hence, the model must be able to simulate particle fracture. In this paper, the crack growth behavior of SiC particle-reinforced Al matrix composites was modeled using actual microstructures. Linear elastic fracture mechanics principles were used to propagate the crack and obtain the local stress intensity values. The effect of particle fracture on crack growth was studied. It will be shown that spatial distribution and shape of the particles, as well as particle fracture ahead of the crack tip, significantly affect the crack trajectory and the stress distribution at the crack tip. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

关键词： crack growth metal-matrix composite finite element modeling microstructure-based modeling

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microstructure-based modeling of Duplex-Phase Titanium Deformation through Crystal Plasticity Finite Element Method

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12th World Conference on Titanium (Ti-2011)

作者： Li Hongwei Yang He Wu Chuan Northwestern Polytech Univ Xian 710072 Peoples R China

ISBN: (纸本)9787030338990

microstructure evolution of duplex-phase titanium does significant effects on its deformation behavior, and is sensitive to its deformation process at the same time. Approaches for microstructure numeralization, phase information mapping, efficient explicit algorithm of crystal plasticity are proposed. A grain-scale crystal plasticity finite element model is established on the platform of ABAQUS by considering the morphology and topology of grains, dual phases with different crystallographic structure, orientation and grain boundaries. Compressive test shows inhomogeneous distributions of stress and strain between grains and great effects of initial grain orientation configurations on them.

关键词： Titanium (Ti) microstructure-based modeling crystal plasticity grain morphology misorientation

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Thermo-mechanical simulation using microstructure-based modeling of friction stir spot welded AA 6061-T6

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JOURNAL OF MANUFACTURING PROCESSES 2019年 37卷 71-81页

作者： Zhang, Biao Chen, Xin Pan, Kaixuan Li, Ming Wang, Jianing Jilin Univ State Key Lab Automobile Simulat & Control Changchun 130022 Peoples R China

An innovative analysis methodology integrated microstructure-based modeling and thereto-mechanical coupling simulation was developed to analyze processing thermal history and then attain simulated mechanical properties of FSSW joint with a higher accuracy. Such numerical evaluation model with measured geometry, hook defect as precast cracks and modified material properties as well as attached thermal residual stress was validated to mainly cover mechanical results produced by processing course. A series of thermal simulation settings which approached actual manufacturing conditions were applied, considering a moving heat source model coupled with Gauss surface and double ellipsoidal body, axial welding force, TCC varied with pressure at the steel-Al contact interface and preheating temperature field of the tool. So then the variations of heat generation, interfacial pressure, temperature field and residual stress distribution were numerically calculated. Finally, tensile fracture simulation of the established joint model was performed to test the simulated accuracy in mechanical performance using this method. The mechanical evolution mechanism to failure was also unveiled. Moreover, the cut-off temperature to achieve improved material properties in SZ and TMAZ was found to be about 375 degrees. The regulation mechanism of such solid phase welding was inferred to be the negative feedback of temperature by means of the decreasing yield stress with increasing temperature. The predicted thermal cycle, geometries of several metallurgical zones, fracture mode and load bearing characteristics were all in good agreement with the experimentally measured ones, validating the reliability of this proposed approach.

关键词： Friction stir spot welding microstructure-based modeling Thermo-mechanical simulation Mechanical properties Temperature distribution

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microstructure-based modeling of IMC layer thickness effect on tensile behavior of Cu/Al clad strip

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MATERIALS RESEARCH EXPRESS 2020年第1期7卷

作者： Sun, Tao Song, Hong-wu Hua, Fu-an Li, Jian-ping Northeastern Univ State Key Lab Rolling & Automat Shenyang 110819 Peoples R China Chinese Acad Sci Inst Met Res Shenyang 110016 Peoples R China

A microstructure-based model is proposed for quantitative estimation of tensile mechanical property of Cu/Al clad strips. In the proposed model, the fracture criterion for matrix Cu and Al, interface intermetallic compounds (IMCs) and interface between matrix and IMCs are established and incorporated. The effect of IMCs thickness and strip thickness on tensile behavior of Cu/Al strip was studied quantitatively using the proposed model. And a new dimensionless parameter w/t is also proposed to be a control index for tensile mechanical property of Cu/Al clad strips. And a critical value of w/t which is defined to be 0.025 in this study is found to be important in controlling mechanical property of Cu/Al strip with a thickness less than 0.5 mm. The potential application of the proposed model and parameter is also discussed for annealing process optimization and mechanical property control of 0.12 mm thick Cu/Al clad strips.

关键词： clad strip cold roll bonding intermetallic compound tensile property microstructure-based modeling

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Adaptive dynamic moduli of magnetorheological elastomers: From experimental identification to microstructure-based modeling

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MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS 2021年 267卷 115083-115083页

作者： Khanouki, Mostafa Asadi Sedaghati, Ramin Hemmatian, Masoud Concordia Univ Dept Mech Ind & Aerosp Engn Montreal PQ H3G 1M8 Canada

In this study a dynamic physic-based model considering the microstructure of isotropic and anisotropic MREs is developed to accurately predict their field-dependent viscoelastic properties. A cubic network in which magnetic particles are located at the junctures and connected with elastic springs is utilized to derive the dynamic governing equations of motion of particles to evaluate their relaxation spectrum while moving parallel and normal to the field direction. A dipole magnetic saturation model is subsequently implemented to derive the field-dependent dynamic storage and loss moduli of the MREs. An experimental test is also designed to identify few constant material parameters in the model and also to validate the developed model. Results for storage and loss moduli are finally compared with those of experiment in a wide range of excitation frequency and magnetic field up to saturation. It has been shown that there is a good agreement between experiment and theoretical results.

关键词： Magnetorheological elastomers (MREs) microstructure-based modeling Dynamic moduli Shear mode characterization

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microstructure-based deformation and fracture modeling of particulate reinforced composites with ordinary state-based peridynamic theory

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COMPOSITE STRUCTURES 2022年 279卷 114734-114734页

作者： Ahmadi, Morteza Sadighi, Mojtaba Hosseini-Toudeshky, Hossein Amirkabir Univ Technol Tehran Polytech Mech Engn Dept Tehran Iran Amirkabir Univ Technol Tehran Polytech Aerosp Engn Dept Tehran Iran

The aim of this study is to develop a microstructure-based peridynamic (PD) model to predict the elastic-plastic deformation and fracture mechanism of the particulate reinforced composites. The developed state-based PD model is validated against the previous experimental study on the aluminum matrix reinforced by Sic particles. Three representative volume elements (RVEs) are extracted from a scanning electron microscope image by image processing, and the particle morphology is investigated. Methods are proposed to assign boundary conditions and allocate material properties to matrix/particle interface regions and calculate the surface correction in the PD computational framework for the particulate composites. Two different loading paths are simulated (loading and loading-unloading-reloading). Distribution of residual stress and residual plastic strain are obtained after unloading. Before damage initiation, the stresses in the particles, especially at the sharp corners, are relatively higher than in the matrix. The particle, matrix, and interface damage are detected in the analysis. Damage initiation occurs in narrow particles and matrices sandwiched by particles. The initiated microcracks are propagated and coalesce to make the principal crack, and the final fracture occurs by the propagation of the principal crack. It is found that the proposed model can accurately predict the main deformation and damage behavior of particulate composites.

关键词： Particulate reinforced composites Peridynamics microstructure-based modeling Fracture

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Micro structure-based simulation of thermomechanical behavior of composite materials by object-oriented finite element analysis

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MATERIALS CHARACTERIZATION 2002年第5期49卷 395-407页

作者： Chawla, N Patel, BV Koopman, M Chawla, KK Saha, R Patterson, BR Fuller, ER Langer, SA Arizona State Univ Dept Chem & Mat Engn Tempe AZ 85287 USA Univ Alabama Dept Mat Sci & Engn Birmingham AL 35209 USA Natl Inst Stand & Technol Mat Sci & Engn Lab Div Ceram Gaithersburg MD 20899 USA Natl Inst Stand & Technol Informat Technol Lab Math & Comp Sci Div Gaithersburg MD 20899 USA

While it is well recognized that microstructure controls the physical and mechanical properties of a material, the complexity of the microstructure often makes it difficult to simulate by analytical or numerical techniques. In this paper we present a relatively new approach to incorporate microstructures into finite element modeling using an object-oriented finite element technique. This technique combines microstructural data in the form of experimental or simulated microstructures, with fundamental material data (such as elastic modulus or coefficient of thermal expansion of the constituent phases) as a basis for understanding material behavior. The object-oriented technique is a radical departure from conventional finite element analysis, where a "unit-cell" model is used as the basis for predicting material behavior. Instead, the starting point of object-oriented finite element analysis is the actual microstructure of the material being investigated. In this paper, an introduction to the object-oriented finite element approach to microstructure-based modeling is provided with two examples: SiC particle-reinforced At matrix composites and double-cemented WC particle-reinforced Co matrix composites. It will be shown that object-oriented finite element analysis is a unique tool that can be used to predict elastic and thermal constants of the composites, as well as salient effects of the microstructure on local stress state. (C) 2003 Elsevier Inc. All rights reserved.

关键词： microstructure-based modeling Al/SiC composites WC/Co composites Young's modulus thermal expansion

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microstructure-based RVE Approach for Stretch-Bending of Dual-Phase Steels

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JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE 2016年第3期25卷 966-976页

作者： Huang, Sheng He, ChunFeng Zhao, YiXi Shanghai Jiao Tong Univ Shanghai Key Lab Digital Manufacture Thin Walled State Key Lab Mech Syst & Vibrat Shanghai 200240 Peoples R China

Fracture behavior and micro-failure mechanism in stretch-bending of dual-phase (DP) steels are still unclear. Representative volume elements (RVE) have been proved to be an applicable approach for describing microstructural deformation in order to reveal the micro-failure mechanism. In this paper, 2D RVE models are built. The deformation behavior of DP steels under stretch-bending is investigated by means of RVE models based on the metallographic graphs with particle geometry, distribution, and morphology. Microstructural failure modes under different loading conditions in stretch-bending tests are studied, and different failure mechanisms in stretch-bending are analyzed. The computational results and stress-strain distribution analysis indicate that in the RVE models, the strain mostly occurs in ferrite phase, while martensite phase undertakes most stress without significant strain. The failure is the results of the deformation inhomogeneity between martensite phase and ferrite phase. The various appearance and growth of initial voids are different depending on the bending radius.

关键词： dual-phase steels microstructure-based modeling plastic strain localization representative volume element stretch-bending

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Analysis and design of dual-phase steel microstructure for enhanced ductile fracture resistance

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INTERNATIONAL JOURNAL OF FRACTURE 2018年第1-2期209卷 3-26页

作者： Gerbig, Daniel Srivastava, Ankit Osovski, Shmuel Hector, Louis G., Jr. Bower, Allan Brown Univ Sch Engn Providence RI 02912 USA Texas A&M Univ Dept Mat Sci & Engn College Stn TX 77843 USA Technion Israel Inst Technol Fac Mech Engn IL-3200003 Haifa Israel Gen Motors R&D Ctr 30470 Harley Earl Blvd Warren MI 48092 USA

The goal of this paper is to predict how the properties of the constituent phases and microstructure of dual phase steels (consisting of ferrite and martensite) influence their fracture resistance. We focus on two commercial low-carbon dual-phase (DP) steels with different ferrite/martensite phase volume fractions and properties. These steels exhibit similar flow behavior and tensile strength but different ductility. Our experimental observations show that the mechanism of ductile fracture in these two DP steels involves nucleation, growth and coalescence of micron scale voids. We thus employ microstructure-based finite element simulations to analyze the ductile fracture of these dual-phase steels. In the microstructure-based simulations, the individual phases of the DP steels are discretely modeled using elastic-viscoplastic constitutive relations for progressively cavitating solids. The flow behavior of the individual phases in both the steels are determined by homogenizing the microscale calibrated crystal plasticity constitutive relations from a previous study (Chen et al. in Acta Mater 65:133-149, 2014) while the damage parameters are determined by void cell model calculations. We then determine microstructural effects on ductile fracture of these steels by analyzing a series of representative volume elements with varying volume fractions, flow and damage behaviors of the constituent phases. Our simulations predict qualitative features of the ductile fracture process in good agreement with experimental observations for both DP steels. A 'virtual' DP microstructure, constructed by varying the microstructural parameters in the commercial steels, is predicted to have strength and ductile fracture resistance that is superior to the two commercial DP steels. Our simulations provide guidelines for improving the ductile fracture resistance of DP steels.

关键词： Multiphase steels microstructure-based modeling Ductile fracture Finite elements microstructure design

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