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DOE OSTI2020

Spatial Description of Lithium Plating

Fast charging lithium ion batteries is a critical obstacle to overcome before widespread uptake of electric vehicles. During fast charging, lithium ion batteries in electric vehicles degrade at an accelerated rate, which is frequently caused by lithium plating. In this presentation, three different methods to spatially and temporally detect and quantify lithium plating are presented; notably, mass spectroscopy titration, operando depth profiling X-ray diffraction, and in-situ X-ray diffraction mapping of pouch cells. Each of the tree techniques successfully quantify lithium plating and provide insight into its spatial occurrence within lithium ion cells.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

When and Where Lithium Plating Occurs, Its Correlation with Microstructure Heterogeneity, and the Mechanisms That Initiate and Self-Regulate Electrochemical Heterogeneity (A02-0444)

A microstructure scale electrochemical LIB model was used to investigate lithium plating onset, material non-uniform utilization, and in-plane heterogeneities for an NMC-graphite full cell. Model predicts active material particle surface roughness and size distribution (respectively, non-uniform curvature within and between particles) initiate in-plane heterogeneity, and that particle size heterogeneity at the separator interface controls the lithium plating preferential deposition ("Where"). These in-plane heterogeneities are then exacerbated by through-plane heterogeneities induced at fast charge as electrolyte depletion occurs and concentrates intercalation reaction near the anode-separator interface. Also, magnitude and occurrence of lithium plating is controlled by effective, or macroscale, microstructure parameters ("When"). As local states of charge start to diverge between nearby active material regions, overpotential differences induced by OCP difference kick in and contribute to reduce these SOC local heterogeneities. However, for staged materials such as graphite, with OCP profile alternating between plateaus and varying regions, this balancing mechanism is, respectively, inactive and active. This leads to a dynamic, non-monotonic, in-plane heterogeneity time evolution for state of charge and Faraday current density, for which their respective in-plane heterogeneity magnitude alternates. Such behavior has been modeled both for the whole electrode at the microstructure scale and at the particle scale. In-plane heterogeneities are usually considered to be detrimental, as they result in material non-uniform utilization (i.e., under and over stressed regions) and earlier degradations. However, this work provides a more granular approach as it discriminates between a harmful in-plane heterogeneity (non-uniform curvature) that triggers SOC in-plane heterogeneity, and a beneficial in-plane heterogeneity (Faraday current density) that contributes to reduce SOC in-plane heterogeneity. This work comprehensively explains the mechanisms that initiate, exacerbate, and regulate heterogeneity at the microstructure scale, while providing some design suggestions to reduce both in-plane and through-plane heterogeneities, as summarized in the graphical abstract.

ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1950

Stress and strain concentration at a circular hole in an infinite plate

The theory of elasticity shows that the maximum stress at a circular hole in an infinite plate in tension is three times the applied stress when the material remains elastic. The effect of plasticity of the material is to lower this ratio. This paper considers the theoretical problem of the stress distribution in an infinitely large sheet with a circular hole for the general case where the material may have any stress-strain curve. The plate is assumed to be under uniform tension at a large distance from the hole. The material is taken to be isotropic and incompressible. (author)

THEORIES - ELASTICITY↗

DOE OSTI2020

Effect of Anode Porosity and Temperature on the Performance and Lithium Plating During Fast-Charging of Lithium-Ion Cells

Twenty-four single-layer approximate to 32 mAh pouch cells are tested to determine the effect of electrode porosity on lithium plating. Twelve cells contain a graphite electrode that is 26% porous, and 47% for the other twelve. The cells are cycled using a 6-C charge and a C/2 discharge protocol at temperatures in the range of 20-50 degrees C. A macro-homogeneous electrochemical model and microstructure analysis tool set are used to help interpret experimental observations for the effect of anode porosity and ambient temperature on fast-charging performance. Additionally, comparison between the two also highlights gaps in current theoretical understanding that need to be addressed. In post-test examination, lithium plating is seen in all cells, regardless of porosity. Elevated temperature is shown to reduce the amount of lithium plating and improve initial fast-charge capacity, but also changes the rate of other, less well-understood degradation mechanisms. Apparent kinetic rate laws, At + Bt 1/2 , where A and B are constants, can be fit to most of the capacity loss and resistance increase data. The relative magnitudes of A and B change with temperature and porosity. The capacity loss data at 50 degrees C from the high-porosity cells are fit by a logistics rate law.

25 ENERGY STORAGE↗

DOE OSTI2025

A computational investigation of high-flux, plate-and-frame membrane modules for industrial carbon capture

In this work, we study the application of membrane-based separation systems for carbon capture, considering plate-and-frame membrane modules. The successful deployment of membrane CO 2 capture system relies on high-performing membranes as well as effective membrane modules that can fully exploit the developed membranes. A plate-and-frame membrane module is especially attractive for CO 2 capture from industrial flue gas due to its lower pressure drop compared to its counterparts such as spiral wound modules and hollow fiber modules. To design better plate-and-frame modules, we investigate their basic unit - a single membrane stack through a combination of computational modeling and experimental investigations. The modeling approach is based on Computational Fluid Dynamics (CFD) to represent a multiphysics problem, including the fluid flow and diffusion processes within a membrane module. We use experimental data collected under different operating conditions to validate the CFD model. Numerical results suggest a good agreement between experiments and model outputs for the CO 2 recovery, CO 2 mole fraction in the retentate and permeate, and stage-cut. The CFD model is able to predict accurately the flow behavior, providing valuable insights on the effects of fluid dynamics on mass transfer of CO 2 . We also carry out a sensitivity analysis to identify the effect of key parameters on the CO 2 recovery and the CO 2 purity of the outlet streams.

CFD simulation↗

DOE OSTI2024

Lithium plating induced degradation during fast charging of batteries subjected to compressive loading

Here we report the lithium plating associated capacity loss during fast charging of compressively loaded lithium-ion batteries (LIBs). The charging and discharging of LIB under compressive loading during service may affect the cell performance or initiate localized defects in the electrodes. Pouch cells of capacity 20 mAh were compressively loaded to nominal pressures of 0–440 kPa and subjected to 10 cycles of fast charging at 1 C and 4 C. Experimental results show that cells charged at 4 C-rate experienced significant capacity fade, and applying compressive loads exacerbated the capacity loss. The coulombic efficiency study shows that active lithium loss was higher for the initial cycles before gradually reducing to a minimal capacity loss for the tenth charging cycle. The cell voltage relaxation immediately after charging was monitored to identify the stripping of plated lithium after fast charging cycles and showed that the duration of lithium stripping was higher for cells under mechanical compressive loading. Scanning electron microscopy (SEM) and electron paramagnetic resonance spectroscopy (EPR) characterization of the anode showed significantly higher lithium deposits on the anodes charged at a 4 C rate under compressive loads. These results indicate that applied mechanical compression causes increased lithium plating during fast charging of batteries.

25 ENERGY STORAGE↗

DOE OSTI2023

Parametric estimation of Poisson's ratio for thin hinged-hinged plates

Cornu's method is an elegant calculation besieged by an impractical approach to obtain accurate estimates for Poisson's ratio. Conventionally, Cornu's method requires several components, and each component can adversely affect the accuracy of the measurement. Furthermore, Cornu's conventional method requires a long beam because beams with short length-to-width ratios cause the estimate of Poisson's ratio to diverge from the true value of Poisson's ratio. We believe that, with the right modifications, Cornu's method can become an attractive approach to obtaining precise estimates for Poisson's ratio from mode shapes. Here we use finite element simulations to show how to use Cornu's method to estimate Poisson's ratio from a mode shape. Our modified Cornu's method removes knife-edges and loading components for a hinged-hinged plate under steady-state excitation. Given the true value of Poisson's ratio, as a performance specification, we show that simple parametric expressions can fit estimates for Poisson's ratio for different length-to-width ratios of thin hinged-hinged plates. Additionally, we show that estimates for Poisson's ratio from higher modes align with the results from the first mode and explain our expectation for this outcome. Furthermore, our results challenge the idea that anticlastic, monoclastic, and synclastic deformation uniquely correspond to positive, zero, and negative estimates of Poisson's ratio, respectively. With the emergence of materials-by-design, we expect that this parametric technique will be able to assist in experimental qualification of thin beam and plate structures with respect to the desired value of Poisson's ratio.

42 ENGINEERING↗

DOE OSTI2023

A direct numerical simulation study for confined non-isothermal jet impingement at moderate nozzle-to-plate distances: Capturing jet-to-ambient density effects

A direct numerical simulation (DNS) campaign is deployed for a series of confined downward oriented, non-isothermal turbulent impinging jet configurations. A baseline Reynolds number of 9960 is obtained through a precursor DNS pipe flow simulation (Re τ = 505). Three jet temperature configurations (confinement height to nozzle diameter of three) enter a cylindrical domain that share ambient and impingement plate temperatures (298.15 K). The range of jet temperatures are crafted such that the ratio of inlet to ambient density varies from unity to 0.52, showcasing the effect of density disparity on flow characteristics such as core collapse, radial mixing of momentum and energy, near-wall stagnation behavior, wall-jet profiles, and large-scale vortical structures. Surface quantities provided include mean radial heat flux and wall-shear stress profiles, and heat flux histograms at select radial stations. Results showcase increased radial normal stresses for higher temperature jets that support increased mixing, resulting in large-scale recirculation structures that are smaller, while retaining similar normalized radial wall profiles for shear stress, heat flux and pressure. Furthermore, radial plots for wall shear stress and Nusselt number showcase strong radial decay as compared to previous configurations that share similar jet and ambient temperatures. For the 373.15 K case, a Gaussian-like histogram for heat fluxes at the impingement plate transitions to a log-normal profile as radial distances increase. In contrast, the 573.15 K configuration displays a bi-modal heat flux characteristic at the impingement plate, and in similar manner to the moderate temperature counterpart, transitions to a log-normal profile at larger radial distances.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Metal additively manufactured wavy fin cold-plate architecture for improved thermal-hydraulic performance

Rapid growth in artificial intelligence and data center workloads demands high-performance liquid cooling to manage increasing chip power. This study presents two metal-additive-manufactured cold plates with sinusoidal fins, constant-amplitude wavy fins and linearly variable-amplitude wavy fins and compares them against metal-additive-manufactured straight fins using experiments conducted at 1 kW heat dissipation as well as high-fidelity 3D conjugate computational fluid dynamic simulations. The cold plates were printed in AlSi10Mg material and underwent design using a Python-automated workflow prior to manufacture and testing. The experiments show that wavy fins reduce the normalized thermal resistance by 35 to 45 % at water flow rates from 1 to 4 LPM. At a fixed 20 kPa pressure drop, the variable-waviness design lowered peak surface temperature by 9 °C and thermal resistance by 51 %, while edge-channel maldistribution in the constant wavy fin design limited gains. A thermal resistance breakdown revealed that 55–63 % of the total thermal resistance in wavy designs comes from base heat conduction, 27–33 % from fin heat conduction, and 9–13 % from fin heat convection, indicating the need to address conduction bottlenecks. Parametric sweeps identify a 3 mm fin pitch as optimal, and that horizontal inlet/outlet manifolds further reduce pressure drop by 30–60 % and thermal resistance by 9–16 % relative to vertical inlet-outlet manifolds. The results yield comprehensive guidelines for fin geometry, manifold alignment, material selection and additive-manufacturing constraints to realize high-performance liquid-cooled cold plates for power-dense electronics.

3d printing↗

DOE OSTI2022

Impacts of annealing treatment on the microstructure of U-Mo monolithic fuel plates

The objective of this paper is to analyze the effect of different heat treatments on the fuel microstructure and texture in laboratory scale monolithic U-Mo fuel plates. Such analyses are relevant as they could possibly inform future fabrication methods for the optimization of microstructure and of material properties to ultimately improve fuel performance during irradiation. For this reason, detail characterization including Energy x-ray dispersive spectroscopy (EDS) and electron backscattered diffraction (EBSD) techniques were applied on U-Mo plates fabricated with different heat treatments to understand the influence of fabrication on fuel microstructure. Here, U-Mo fresh fuel specimens with or without annealing treatments (homogenization and stress release annealing) after rolling were analyzed in this work. In this study for the first time EBSD was systematically used to analyze the heat treatments influence on texture present in fresh fuel monolithic U-Mo fuel plates. Such changes were connected to other known microstructural and chemical changes. In this work minimization of molybdenum concentration variation and gamma phase decomposition of the U-Mo fuel core after homogenization was observed. Also, an increase in the interaction layer of the U-Mo fuel core with the Zr interlayer diffusion barrier was observed with the UZr 2 growing up to 1 µm in thickness. Such microstructural changes were aligned to the changes in texture and grain structure. Indeed, common texture observed in body-centered cubic (BCC) metal after cold rolling (e.g., α, ξ, γ fibers) were minimized by the annealing/homogenization process. Moreover, grain structure was influenced by the fabrication route with elongated grains formed in the rolled sample and equiaxed grains found after annealing. Such features are relevant since the formation of microstructural features formed during fuel fabrication can impact fuel performance in reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Microstructurally validated stable and predictable swelling in low-enriched uranium monolithic U-10Mo fuel mini-plates

Qualification of the low-enriched uranium (LEU) monolithic U-10 wt%Mo (U-10Mo) plate-type fuel system requires a demonstration of a stable and predictable fuel swelling behavior over the anticipated operating conditions of the United States high-performance research reactors (USHPRRs) selected for conversion to LEU operation. This will allow each reactor to develop appropriate safety margins that will retain fuel element lifetime coolability. Additionally, the fuel system must maintain performance attributes when fabricated at a commercial scale. The Mini-plate 1 experiment represents the first irradiation test of commercially fabricated miniaturized monolithic LEU U-10Mo fuel plates. Here, the swelling behavior within this experiment was compared against that of historical fuel developmental tests to reveal that the commercially fabricated fuel performed within the current recommended U-10Mo swelling model's predictions. Additionally, the fuel microstructural evolution was evaluated to link initial conditions to subtle variations detected in the swelling response, providing validation and confidence that the fuel system is robust.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Room-Temperature Calcium Plating and Stripping Using a Perfluoroalkoxyaluminate Anion Electrolyte

Multivalent ion chemistries, like Ca 2+ , used in energy storage boast the potential to utilize solid metallic anodes and provide high volumetric energy density. The promise of such systems relies on the ability to incorporate high-voltage cathode materials while sustaining robust plating and stripping at the anode. These processes are dependent on an electrochemically stable electrolyte for ion transport and storage. In this work, we report an addition to the limited pool of nonaqueous electrolytes capable of plating and stripping calcium at room temperature. The synthesis and structural properties of calcium tetrakis(perfluoro-tert-butoxy) aluminate (Ca[TPFA] 2 ) are described along with the electrochemical performance during plating and stripping (up to 55% Coulombic efficiency) and a proof of concept for full cell viability with a CuS cathode material. X-ray experiments were used to study both the bulk solvation structure around calcium and possible decomposition pathways of the weakly coordinating TPFA anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Texture Evolution of Plated Lithium in Anode-Free Solid-State Batteries

Here, this study investigates lithium plating texture in anode-free solid-state batteries using synchrotron-based X-ray diffraction. Conventional methods are limited by lithium’s low electron density and softness, which hinders direct interrogation in anode-free solid-state batteries. Results reveal that lithium plating texture is influenced by temperature and current density. Under mild conditions, lithium exhibited a ⟨110⟩ fiber texture. However, higher current densities and elevated temperatures led to a more randomized orientation, suggesting a dependence on plating conditions. The results highlight how the operating and processing conditions for lithium metal can influence the texture of lithium metal and reversible operation.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Structure of the Ecuadorian Upper Plate From a Joint Seismic‐Gravity Inversion

The Ecuadorian portion of the South American subduction zone presents an interesting case study in the structure and complex evolution of an upper plate. There are outstanding questions about its tectonic history, composition, and magmatic processes. While previous studies have employed ambient noise tomography to image the Ecuadorian upper plate, surface wave inversions alone often lack sensitivity at relevant shallow depths. This limitation can be overcome with an independent, complementary data set, such as gravity. We have jointly inverted Rayleigh wave phase velocities and Bouguer gravity anomalies to provide a more detailed seismic velocity model of the Ecuadorian upper plate. Our joint inversion has yielded several key improvements from previous models. First, we observe much shallower slow velocities beneath major basins (the Manabí, Progreso, and Gulf of Guayaquil), better aligning with expected basin structure. Second, we identify a high-velocity block beneath the entire forearc, corresponding to the Piñon Terrane, with velocities suggesting the presence of ultramafic material. Third, we highlight a new narrow swath of slow velocities beneath the Ecuadorian Andes, which closely follows the active volcanoes along the Eastern Cordillera. The extent of these slow velocities coincides with the termination of active arc volcanism and the predicted location of the subducted Carnegie Ridge. The predicted compositions for the mid to lower crust in the region preclude a purely compositional explanation for these velocities, suggesting that some level of partial melt is necessary.

Birkey, Andrew [Univ. of Delaware, Newark, DE (Uni↗

DOE OSTI2023

High-throughput feedback-enabled optogenetic stimulation and spectroscopy in microwell plates

Abstract The ability to perform sophisticated, high-throughput optogenetic experiments has been greatly enhanced by recent open-source illumination devices that allow independent programming of light patterns in single wells of microwell plates. However, there is currently a lack of instrumentation to monitor such experiments in real time, necessitating repeated transfers of the samples to stand-alone analytical instruments, thus limiting the types of experiments that could be performed. Here we address this gap with the development of the optoPlateReader (oPR), an open-source, solid-state, compact device that allows automated optogenetic stimulation and spectroscopy in each well of a 96-well plate. The oPR integrates an optoPlate illumination module with a module called the optoReader, an array of 96 photodiodes and LEDs that allows 96 parallel light measurements. The oPR was optimized for stimulation with blue light and for measurements of optical density and fluorescence. After calibration of all device components, we used the oPR to measure growth and to induce and measure fluorescent protein expression in E. coli . We further demonstrated how the optical read/write capabilities of the oPR permit computer-in-the-loop feedback control, where the current state of the sample can be used to adjust the optical stimulation parameters of the sample according to pre-defined feedback algorithms. The oPR will thus help realize an untapped potential for optogenetic experiments by enabling automated reading, writing, and feedback in microwell plates through open-source hardware that is accessible, customizable, and inexpensive.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Laser-driven flyer plate impact: Computational studies guided by experiments

We present a computational approach using a multimaterial, arbitrary Lagrangian–Eulerian code termed ALE3D to model the nanosecond/micrometer dynamics of the launch of 0.5–4.5 km/s laser-driven metal flyer plates and the impact with stationary targets of Pyrex and fused silica glasses, and Lexan and Plexiglas polymers, producing pressures in the target in the range of 5–20 GPa. The simulations are compared to experimental results where the flyer velocity profile and the velocity profile imparted to the target material were measured with high-speed velocimetry. The experimental flyer launch by a high-intensity pulsed laser is modeled by depositing heat into a thin vaporizable layer under the flyer plate. This model produces a flyer plate that has not been exposed to the laser pulse, allowing us to compare the properties of the real flyer to a simulated ideal flyer. The simulations of target impact are generally in good agreement with the experiment except at the highest impact velocities where the shock release process in the experiment is slower than that in the simulation. The cause of this disagreement is attributed to an inadequate description of the shock viscosity during the nanosecond unloading process.

Stekovic, Svjetlana (ORCID:0000000163878070)↗

DOE OSTI2024

Effects of Aluminum Plate Initial Residual Stress on Machined-Part Distortion

Dimensional tolerances for high-speed-machined aluminum products continue to tighten due to the demand for automated assembly of complex monolithic parts in aerospace and other industries. Understanding the contribution of inherent residual stress in wrought Al 7050-T7451 plate, common in aircraft manufacture, to distortion of high-aspect-ratio machined parts is critical but remains problematic due to the alloy's low residual stress magnitude over large geometries. Prior investigations into residual stress effects on machined part distortion suffer inadequate characterizations of the wrought material stress field, either because of low fidelity due to “slitting” methods, confounding effects in machined-layer removal methods, or small sample size when using neutron diffraction (ND). In this work, inherent residual stress is measured via ND at 860 locations in a 90.5 mm thick Al 7050-T7451 plate having dimensions 399 mm in the rolling direction and 335 mm in the transverse direction. Unlike prior studies, the ND residual stress is reconstructed using an iterative algorithm to ensure fully compatible, equilibrated 3D field prior to examining its effect on distortion. Further, the findings from simulations and experiments show that inherent residual stress alone could distort a high-aspect-ratio part beyond aerospace industry requirements, that slitting measurements may not sufficiently characterize residual stress for predicted distortion, and that parts machined from different plate thickness locations could exhibit reversed distortion patterns. Thus, research into distortion prediction that considers machining should carefully characterize and reconstruct inherent residual stress so that the coupled machining effects are accurately modeled.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Plating and Stripping of Lithium Metal Stabilized by a Block Copolymer Electrolyte: Local Current Density Measurement and Modeling

Here, plating and stripping of lithium protrusions in lithium metal symmetric cells containing a solid block copolymer electrolyte was studied as a function of time in 3D using time-resolved X-ray tomography. These measurements enabled determination of the spatial variation in current densities at the plating and stripping electrodes. The initial interelectrode distance was 27 μm. Correlation functions were calculated to reveal the relationships between current densities at the two electrodes and local electrolyte thickness. Current densities at opposing electrode locations during protrusion growth is uncorrelated until the local interelectrode distance decreases to less than 6 μm, just before the cell shorts. Mass balance was used to determine the area from which lithium ions that form a protrusion were stripped. Computational modeling of the plating and stripping process reveals the interplay between electrochemical and mechanical driving forces and their effect on nonuniform current distribution. Model predictions were compared with experiments without resorting to any adjustable parameters. The computed correlation functions were in qualitative agreement with experiments. Finally, the model was used to calculate contour plots of electrochemical potential within the electrolyte, shedding light on how geometry, salt concentration, interelectrode distance, and mechanical stress influence local rates of electrochemical reaction.

36 MATERIALS SCIENCE↗