We simulate the mechanical-chemical coupling during delithiation and relaxation of a cathode in a solid-state lithium-ion battery.Contact loss at the interface between the active particle and the solid electrolyte is ...We simulate the mechanical-chemical coupling during delithiation and relaxation of a cathode in a solid-state lithium-ion battery.Contact loss at the interface between the active particle and the solid electrolyte is considered.Uphill diffusion is observed during delithiation and relaxation.This phenomenon is explained by analyzing the total chemical potential and its two components.Contact loss at the interface greatly influences the stress and stress gradient in the active particle.As delithiation continues,the stress and stress gradient grow considerably,and the mechanical part of the total chemical potential becomes dominant over the chemical part of it.In the latter stage of delithiation,the influence of the incomplete interfacial constraint on the stress becomes dominant,while the effect of the concentration gradient becomes negligible.After relaxation,the concentration and stress gradients increase in a particle with contact loss.The influence of the degree of contact loss on the mechanical-chemical coupling is investigated.The overall tensile stress in the active particle increases with decreasing contact loss,causing a sharp decrease in local concentration.We also check the effect of the elastic modulus of the solid electrolyte on the coupling of the active material.A rigid solid electrolyte with a higher elastic modulus more strongly restricts the active particle,leading to a higher tensile stress,a larger stress gradient,and a greater concentration gradient.展开更多
The coupled thermo-hydro-mechanical and chemical (THMC) processes of stress/deformation,fluid flow,temperature and geochemical reactions of the geological media,namely fractured rocks and soils,play an important role ...The coupled thermo-hydro-mechanical and chemical (THMC) processes of stress/deformation,fluid flow,temperature and geochemical reactions of the geological media,namely fractured rocks and soils,play an important role in design,construction,operation and environmental impact assessments of rock and soil engineering works such as underground nuclear waste repositories,oil/gas production and storage,geothermal energy extraction,landslides and slope stability,hydropower and water conservancy complexes,etc. This paper presents an overview of the international and Chinese experiences in numerical modeling of the coupled THMC processes for both the state-of-the-knowledge,remaining challenges and possible future prospects.展开更多
A general framework of hydro-mechanical-chemical coupling model is proposed for geomaterial subjected to the dual effects of mechanical loading and chemical degradation. Mechanical damage due to microcracks in solid m...A general framework of hydro-mechanical-chemical coupling model is proposed for geomaterial subjected to the dual effects of mechanical loading and chemical degradation. Mechanical damage due to microcracks in solid matrix and chemical damage induced by the increase of porosity due to dissolution of matrix minerals as well as their interactions are considered. A special model is proposed for sandstone. The reaction rate is formulated within the framework of mineral reaction kinetics and can thus take into account different dissolution mechanisms of three main mineral compositions under different pH values. The increase of porosity is physically defined by the dissolution of mineral composition and the chemical damage is related to the increase of porosity. The mechanical behavior is characterized by unified plastic damage and viscoplastic damage modeling. The effective stress is used for describing the effect of pore pressure. The elastic parameters and plastic evolution as well as viscoplastic evolution are dependent on chemical damage. The advection, which is coupled with mechanical damage and chemical damage, is considered as the dominant mechanism of mass transfer. The application of model proposed is from decoupled experiments to fully coupled experiment. The model offers a convenient approach to describing the hydro-mechanical-chemical coupled behavior of geomaterial.展开更多
基金the National Natural Science Foundation of China(Grant Nos.12072183,11872236,11702164,and 11702166).
文摘We simulate the mechanical-chemical coupling during delithiation and relaxation of a cathode in a solid-state lithium-ion battery.Contact loss at the interface between the active particle and the solid electrolyte is considered.Uphill diffusion is observed during delithiation and relaxation.This phenomenon is explained by analyzing the total chemical potential and its two components.Contact loss at the interface greatly influences the stress and stress gradient in the active particle.As delithiation continues,the stress and stress gradient grow considerably,and the mechanical part of the total chemical potential becomes dominant over the chemical part of it.In the latter stage of delithiation,the influence of the incomplete interfacial constraint on the stress becomes dominant,while the effect of the concentration gradient becomes negligible.After relaxation,the concentration and stress gradients increase in a particle with contact loss.The influence of the degree of contact loss on the mechanical-chemical coupling is investigated.The overall tensile stress in the active particle increases with decreasing contact loss,causing a sharp decrease in local concentration.We also check the effect of the elastic modulus of the solid electrolyte on the coupling of the active material.A rigid solid electrolyte with a higher elastic modulus more strongly restricts the active particle,leading to a higher tensile stress,a larger stress gradient,and a greater concentration gradient.
基金Supported by the Special Funds fo Major State Basic Research Project (2002CB412708).
文摘The coupled thermo-hydro-mechanical and chemical (THMC) processes of stress/deformation,fluid flow,temperature and geochemical reactions of the geological media,namely fractured rocks and soils,play an important role in design,construction,operation and environmental impact assessments of rock and soil engineering works such as underground nuclear waste repositories,oil/gas production and storage,geothermal energy extraction,landslides and slope stability,hydropower and water conservancy complexes,etc. This paper presents an overview of the international and Chinese experiences in numerical modeling of the coupled THMC processes for both the state-of-the-knowledge,remaining challenges and possible future prospects.
基金Project supported by the National Natural Science Foundation of China(Nos.51009132,50920105908,50979104and10972221)the Open Research Fund of State Key Laboratory of Geomechanics and Geotechnical Engineering,Institute of Rock and Soil Mechanics,Chinese Academy of Sciences(No.Z011006)
文摘A general framework of hydro-mechanical-chemical coupling model is proposed for geomaterial subjected to the dual effects of mechanical loading and chemical degradation. Mechanical damage due to microcracks in solid matrix and chemical damage induced by the increase of porosity due to dissolution of matrix minerals as well as their interactions are considered. A special model is proposed for sandstone. The reaction rate is formulated within the framework of mineral reaction kinetics and can thus take into account different dissolution mechanisms of three main mineral compositions under different pH values. The increase of porosity is physically defined by the dissolution of mineral composition and the chemical damage is related to the increase of porosity. The mechanical behavior is characterized by unified plastic damage and viscoplastic damage modeling. The effective stress is used for describing the effect of pore pressure. The elastic parameters and plastic evolution as well as viscoplastic evolution are dependent on chemical damage. The advection, which is coupled with mechanical damage and chemical damage, is considered as the dominant mechanism of mass transfer. The application of model proposed is from decoupled experiments to fully coupled experiment. The model offers a convenient approach to describing the hydro-mechanical-chemical coupled behavior of geomaterial.
