From generic towards a micromechanical fatigue model

AbstractFatigue life formulas are still based on phenomenological models which adopt simple relations directly from experiments for different loading conditions and use fitted material parameters. The combination of enormous complexity of fatigue damage processes and simple, macro appearance of the formulas (usually power laws), are the source of Generic Fatigue Models (GFM). GFMs rely on minimal, but coherent, micro-details which are independent of the specific micro structure. Such a model has been developed, connecting analytically the S-N power law and endurance stress in terms of statistical strength distributions of material microelements and their neighbors.This paper describes two types of generalizations of the basic GFM: a.) Two level (H-L and L-H) loading, in which a history dependent micro-damage evolution law is proposed, and b.) Multiaxial fatigue response by a simple 2D truss. Emphasize is on minimal parameters and capability of analytical predictions, in which every “material constant” has a physical or micro-geometrical meaning. The theoretical generalizations are compared with experimental data from the literature and show that the predictions are coherent with main experimental features

A theory and a simulation capability for the growth of a solid electrolyte interphase layer at anode particles in lithium ion batteries

A major mechanism for electrochemical aging of Li-ion batteries is the formation of a solid electrolyte interphase (SEI) layer, which results in an impedance rise at the anode and also leads to capacity fade. The formation of an SEI layer consumes Li-ions and competes with the desired Li intercalation. Often, the cyclic volume changes – or “breathing” – of an anode particle during Li-ion intercalation and deintercalation can cause the SEI layer to delaminate from the surface of the particle, which causes new SEI to be formed on the newly exposed particle surface and this accelerates capacity fade. We have formulated a continuum theory for the formation and growth of an SEI layer, and the theory has been numerically implemented in a finite-element program. This simulation capability for SEI growth is coupled with our earlier published chemomechanical simulation capability for intercalation of Li-ions in electrode particles. Using this new combined capability we have simulated the formation and growth of an SEI layer during cyclic lithiation and delithiation of an anode particle and predicted the evolution of the growth stresses in the SEI layer. The evolution of the stress state at the SEI–particle interface for spheroidal-shaped particles is studied, and this gives us a good indicator for the propensity of potential delamination of the SEI layer from the anode particle

Diffusion–deformation theory for amorphous silicon anodes: The role of plastic deformation on electrochemical performance

Amorphous silicon (a-Si) is a promising material for anodes in Li-ion batteries due to its increased capacity relative to the current generation of graphite-based anode materials. However, the intercalation of lithium into a-Si induces very large elastic–plastic deformations, including volume changes of approximately 300%. We have formulated and numerically implemented a fully-coupled diffusion–deformation theory, which accounts for transient diffusion of lithium and accompanying large elastic–plastic deformations. The material parameters in the theory have been calibrated to experiments of galvanostatic cycling of a half-cell composed of an a-Si thin-film anode deposited on a quartz substrate, which have been reported in the literature. We show that our calibrated theory satisfactorily reproduces the mechanical response of such an anode — as measured by the changes in curvature of the substrate, as well as the electrochemical response — as measured by the voltage versus state-of-charge (SOC) response. We have applied our numerical simulation capability to model galvanostatic charging of hollow a-Si nanotubes whose exterior walls have been oxidized to prevent outward expansion; such anodes have been recently experimentally-realized in the literature. We show that the results from our numerical simulations are in good agreement with the experimentally-measured voltage versus SOC behavior at various charging rates (C-rates). Through our simulations, we have identified two major effects of plasticity on the electrochemical performance of a-Si anodes: • First, for a given voltage cut-off, plasticity enables lithiation of the anode to a higher SOC. This is because plastic flow reduces the stresses generated in the material, and thus reduces the potential required to lithiate the material. • Second, plastic deformation accounts for a significant percentage of the energy dissipated during the cycling of the anode at low C-rates. Hence, plasticity can have either (a) a beneficial effect, that is, a higher SOC for a given voltage cut-off; or (b) a detrimental effect, that is significant energy dissipation at low C-rates.National Science Foundation (U.S.) Division of Civil, Mechanical and Manufacturing Innovation (Award CMMI-1063626

Interplay of phase boundary anisotropy and electro-autocatalytic surface reactions on the lithium intercalation dynamics in LiX_XFePO4_4 platelet-like nanoparticles

Experiments on single crystal Li$_X$FePO$_4$ (LFP) nanoparticles indicate rich nonequilibrium phase behavior, such as suppression of phase separation at high lithiation rates, striped patterns of coherent phase boundaries, nucleation by binarysolid surface wetting and intercalation waves. These observations have been successfully predicted (prior to the experiments) by 1D depth-averaged phase-field models, which neglect any subsurface phase separation. In this paper, using an electro-chemo-mechanical phase-field model, we investigate the coherent non-equilibrium subsurface phase morphologies that develop in the $ab$- plane of platelet-like single-crystal platelet-like Li$_X$FePO$_4$ nanoparticles. Finite element simulations are performed for 2D plane-stress conditions in the $ab$- plane, and validated by 3D simulations, showing similar results. We show that the anisotropy of the interfacial tension tensor, coupled with electroautocatalytic surface intercalation reactions, plays a crucial role in determining the subsurface phase morphology. With isotropic interfacial tension, subsurface phase separation is observed, independent of the reaction kinetics, but for strong anisotropy, phase separation is controlled by surface reactions, as assumed in 1D models. Moreover, the driven intercalation reaction suppresses phase separation during lithiation, while enhancing it during delithiation, by electro-autocatalysis, in quantitative agreement with {\it in operando} imaging experiments in single-crystalline nanoparticles, given measured reaction rate constants

Power management and control strategies for off-grid hybrid power systems with renewable energies and storage

This document is the Accepted Manuscript of the following article: Belkacem Belabbas, Tayeb Allaoui, Mohamed Tadjine, and Mouloud Denai, 'Power management and control strategies for off-grid hybrid power systems with renewable energies and storage', Energy Systems, September 2017. Under embargo. Embargo end date: 19 September 2018. The final publication is available at Springer via https://doi.org/10.1007/s12667-017-0251-y.This paper presents a simulation study of standalone hybrid Distributed Generation Systems (DGS) with Battery Energy Storage System (BESS). The DGS consists of Photovoltaic (PV) panels as Renewable Power Source (RPS), a Diesel Generator (DG) for power buck-up and a BESS to accommodate the surplus of energy, which may be employed in times of poor PV generation. While off-grid DGS represent an efficient and cost-effective energy supply solution particularly to rural and remote areas, fluctuations in voltage and frequency due to load variations, weather conditions (temperature, irradiation) and transmission line short-circuits are major challenges. The paper suggests a hierarchical Power Management (PM) and controller structure to improve the reliability and efficiency of the hybrid DGS. The first layer of the overall control scheme includes a Fuzzy Logic Controller (FLC) to adjust the voltage and frequency at the Point of Common Coupling (PCC) and a Clamping Bridge Circuit (CBC) which regulates the DC bus voltage. A maximum power point tracking (MPPT) controller based on FLC is designed to extract the optimum power from the PV. The second control layer coordinates among PV, DG and BESS to ensure reliable and efficient power supply to the load. MATLAB Simulink is used to implement the overall model of the off-grid DGS and to test the performance of the proposed control scheme which is evaluated in a series of simulations scenarios. The results demonstrated the good performance of the proposed control scheme and effective coordination between the DGS for all the simulation scenarios considered.Peer reviewedFinal Accepted Versio

A mesoscopic model for compression of granular materials

The design of protective structures often requires numerical modeling of shock-wave propagation in the surrounding soils. Properties of the soil such as grain-grading and water-fraction may vary spatially around a structure and among different sites. To better understand how these properties affect wave propagation we study how the meso-structure of soils affects their equation of state (EOS). In this work we present a meso-mechanical model for granular materials based on a simple representation of the grains as solid spheres. Grain-grading is prescribed, and a packing algorithm is used to obtain periodic grain morphologies of tightly packed randomly distributed spheres. The model is calibrated by using experimental data of sand compaction and sound-speed measurements from the literature. We study the effects of graingrading and show that the pressures at low strains exhibit high sensitivity to the level of connectivity between grains. At high strains, the EOS of the bulk material of the grains dominates the behavior of the EOS of the granular material

A theory and a simulation capability for the growth of a solid electrolyte interphase layer at an anode particle in a Li-ion battery

A major mechanism for electrochemical aging of Li-ion batteries is the growth of a solid electrolyte interphase (SEI) layer on the surface of anode particles, which leads to capacity fade and also results in a rise in cell resistance. We have formulated a continuum theory for the growth of an SEI layer—a theory which accounts for the generation of the attendant growth stresses. The theory has been numerically implemented in a finite-element program. This simulation capability for SEI growth is coupled with our previously published chemo-mechanical simulation capability for intercalation of Li-ions in electrode particles. Using this new combined capability we have simulated the formation and growth of an SEI layer during cyclic lithiation and delithiation of an anode particle, and predicted the evolution of the growth stresses in the SEI layer. The evolution of the stress state within the SEI layer and at the SEI/anode-particle interface for spherical- and spheroidal-shaped graphite particles is studied. This knowledge of the local interfacial stresses provides a good estimate for the propensity of potential delamination of an SEI layer from an anode particle.National Science Foundation (U.S.) (CMMI Award No. 1063626

Characterization of Ottawa Sand and Application to Blast Simulations

The present work aims at presenting consistent data both from laboratory characterization and from blast tests to see how a computer model performs when only data from mechanical tests are being fed to the constitutive model. A sand (Ottawa 20-30) that meets ASTM C778 requirements, i.e., well characterized microscopically, was tested in triaxial compression under confinement pressures ranging from 50 to 300 MPa and moisture contents of 0 to 15% as well as high strain-rates. These tests provided both the experimental equation of state (pressure vs. volume) and compaction curves as well as the strength vs. pressure properties to build a constitutive model both in LS-DYNA and CTH. Blast tests were subsequently performed by burying explosive at three different depths inside a sand pot with a rigid steel plate on top. During flight, the height of the steel plate was tracked with Phantom high-speed cameras to determine the impulse transmitted to the plate as well as the maximum jump height. Simulations were performed with both an Eulerian code (CTH) and a Lagrangian/ALE code (LS-DYNA) using the constitutive model determined during the material characterization. The predictions of both codes are as close as 7% and as far as 22%, depending on the test configuration

A theory and a simulation capability for the growth of a solid electrolyte interphase layer at an anode particle in a Li-ion battery

A major mechanism for electrochemical aging of Li-ion batteries is the growth of a solid electrolyte interphase (SEI) layer on the surface of anode particles, which leads to capacity fade and also results in a rise in cell resistance. We have formulated a continuum theory for the growth of an SEI layer—a theory which accounts for the generation of the attendant growth stresses. The theory has been numerically implemented in a finite-element program. This simulation capability for SEI growth is coupled with our previously published chemo-mechanical simulation capability for intercalation of Li-ions in electrode particles. Using this new combined capability we have simulated the formation and growth of an SEI layer during cyclic lithiation and delithiation of an anode particle, and predicted the evolution of the growth stresses in the SEI layer. The evolution of the stress state within the SEI layer and at the SEI/anode-particle interface for spherical- and spheroidal-shaped graphite particles is studied. This knowledge of the local interfacial stresses provides a good estimate for the propensity of potential delamination of an SEI layer from an anode particle.National Science Foundation (U.S.) (CMMI Award No. 1063626