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NASA NTRS2009

Impact of Lake Okeechobee Sea Surface Temperatures on Numerical Predictions of Summertime Convective Systems over South Florida

The NASA Short-term Prediction Research and Transition (SPoRT) Center, the Florida Institute of Technology, and the NOAA/NWS Weather Forecast Office at Miami, FL (MFL) are collaborating on a project to investigate the impact of using high-resolution, 2-km Moderate Resolution Imaging Spectroradiometer (MODIS) sea surface temperature (SST) composites within the Weather Research and Forecasting (WRF) prediction system. The NWS MFL is currently running WRF in real-time to support daily forecast operations, using the National Centers for Environmental Prediction Nonhydrostatic Mesoscale Model dynamical core within the NWS Science and Training Resource Center's Environmental Modeling System (EMS) software. Twenty-seven hour forecasts are run daily initialized at 0300, 0900, 1500, and 2100 UTC on a domain with 4-km grid spacing covering the southern half of Florida and adjacent waters of the Gulf of Mexico and Atlantic Ocean. The SSTs are initialized with the NCEP Real-Time Global (RTG) analyses at 1/12deg resolution. The project objective is to determine whether more accurate specification of the lower-boundary forcing over water using the MODIS SST composites within the 4-km WRF runs will result in improved sea fluxes and hence, more accurate e\~olutiono f coastal mesoscale circulations and the associated sensible weather elements. SPoRT conducted parallel WRF EMS runs from February to August 2007 identical to the operational runs at NWS MFL except for the use of MODIS SST composites in place of the RTG product as the initial and boundary conditions over water. During the course of this evaluation, an intriguing case was examined from 6 May 2007, in which lake breezes and convection around Lake Okeechobee evolved quite differently when using the high-resolution SPoRT MODIS SST composites versus the lower-resolution RTG SSTs. This paper will analyze the differences in the 6 May simulations, as well as examine other cases from the summer 2007 in which the WRF-simulated Lake Okeechobee breezes evolved differently due to the SST initialization. The effects on wind fields and precipitation systems will be emphasized, including validation against surface mesonet observations and Stage IV precipitation grids.

Case, Jonathan L.↗

NASA NTRS1993

Session on coupled land surface/hydrological/atmospheric models

The current model capabilities in the context of land surface interactions with the atmosphere include only one-dimensional characteristics of vegetation and soil surface heat, moisture, momentum, and selected other trace gas fluxes (e.g., CO2). The influence of spatially coherent fluxes that result from landscape heterogeneity were not included. Valuable representations of several aspects of the landscape pattern currently exist. These include digital elevation data and measures of the leaf area index (i.e., Normalized Difference Vegetation Index (NDVI) from Advanced Very High Resolution Radiometer (AVHRR) data). A major deficiency, however, is the lack of an ability to sample spatially representative shallow and (especially) deep soil moisture. Numerous mesoscale modeling and observed studies demonstrated the sensitivity of planetary boundary layer structure and deep convection to the magnitude of the surface moisture flux.

Pielke, Roger↗

NASA NTRS1999

The Diurnal Cycle in TOGA-COARE: Regional Scale Model Simulations

The diurnal variation of precipitation processes over the tropics is a well-known phenomenon and has been studied using surface rainfall data, radar reflectivity data, and satellite-derived cloudiness and precipitation. Recently, Sui (1997) analyzed observations from TOGA COARE in the tropical western Pacific ocean to study the relevant mechanisms producing diurnal variation of precipitation. They found that the diurnal SST cycle is important for afternoon showers in the undisturbed periods and diurnal radiative processes for nocturnal rainfall. Takayabu (1996) found a quasi-2-day cycle in precipitation during TOGA COARE and they suggested that inertia-gravity waves may be associated with this 2-day cycle. Chen and Houze (1997), however, suggested that the quasi-2-day oscillation is mainly a function of the time required by the lower-tropospheric moisture field to recover from the drying caused by deep convection. In this study, the Penn State/NCAR Mesoscale Model (MM5) with improved physics (i.e., cloud microphysics, radiation, land-soil-vegetation-surface processes, and TOGA COARE flux scheme) and a multiple level nesting technique will be used to simulate two TOGA COARE convective espisodes, one convectively suppressed phase (mid to late January 1993) and one convectively active phase (mid to late December 1992). We will examine precipitation processes over the open ocean and over land by comparing MM5 simulated rainfall and out-going longwave radiation. By examining the OLR and precipitation, we can determine if there is a temporal lag between the maximum precipitation and the coldest upwelling longwave radiation (the time-lag between stratiform-cirrus and convective towers). The boundary layer response by (or recovery from) precipitation processes will also be shown by examining the PBL thermodynamic structure and the sensible and latent heat fluxes. A preliminary MM5 simulation showed a clear diurnal variation in rainfall over both land and open ocean for the convectively active phase. The results also indicated that a quasi-2-day cycle in precipitation was simulated only over part of the ocean.

Tao, W.-K.↗

NASA NTRS2003

Investigation of Aerodynamic and Aerodynamic and Radiometric Land Surface Temperatures

The overall goal of the project was to reconcile the difference between T(sub s,r) and T(sub aero), while maintaining consistency within models and with theory and data. The project involved collaboration between researchers at Bucknell University, Boston University, University of mode Island, and the USDNARS Hydrology Laboratory. This report focuses on the work done at Bucknell, which used an analytical continuous-source flux model developed by Crago (1998), based on work by Brutsaert and Sugita (1996) to generate fluxes at all levels of the canopy. Named ALARM [Analytical Land- Atmosphere-Radiometer Model] by Suleiman and Crago (2002), the model assumes the foliage has an exponential vertical temperature profile. The same profile is felt by the within-canopy turbulence and 'seen" by a radiometer viewing the surface from any zenith view angle. ALARM converts radiometric surface temperatures taken from any view angle into a clearly-defined version of Taero called the equivalent isothermal surface temperature T(sub s,j), and then calculates the sensible heat flux H using Monin-Obukhov similarity theory. This allows remotely sensed Ts,r measurements to be used to produce high quality sensible and latent heat flux estimates, or to validate or update the surface temperature produced by SVATs in climate or mesoscale models.

Crago, Richard D.↗

DOE OSTI2026

Investigating shock-induced chemical reactions in Ni+Al multilayers: A continuum-based mesoscale approach with Arrhenius kinetics and artificial thermal conduction

A new continuum-based mesoscale modeling approach for shock-induced chemical reactions (SICRs) in Ni+Al multilayers is demonstrated in Sandia’s shock physics hydrocode, CTH. The approach utilizes Arrhenius-type kinetics and artificial thermal conduction. Our work builds upon previous efforts to parameterize equations of state for Ni x Al y [J. Appl. Phys. 137, 075102 (2025)], as well as simulations of inert shocks in realistic 2D microstructures [J. Appl. Phys. 137, 225301 (2025)]. To calibrate the reaction kinetics, pairs of the reaction coordinate, R′, vs time are extracted from the molecular dynamics (MD) literature. Here, the MD-informed kinetics are used to simulate the dynamic evolution of pressure and temperature in 2D mesoscale simulations. Overall, the MD-informed kinetics obtained for planar interfaces are too slow, as initial reaction is not observed on a nanosecond time scale. Even with quasi-periodic shock focusing leading to the formation of so-called “hot-spots,” the hot spots are unable to grow and coalesce using the fitted Arrhenius rate constants. However, by increasing the rate constants by two orders of magnitude, SICRs are observed at a shock pressure near 30 GPa, which is supported by experiments. Consequently, these mesoscale simulations suggest that unresolved shear-based mechanical mixing might possibly account for the discrepancies in kinetic rates, with shock-generated intense perturbations, interfacial vortical flows, and elevated temperatures serving as favorable reaction conditions. Future work will calibrate a shear-dependent reaction rate from the MD simulations with realistic interfaces that are wavy, diffuse, and disordered.

Kittell, David E. [Sandia National Laboratories (S↗

NASA NTRS2003

A New Objective Technique for Verifying Mesoscale Numerical Weather Prediction Models

This report presents a new objective technique to verify predictions of the sea-breeze phenomenon over east-central Florida by the Regional Atmospheric Modeling System (RAMS) mesoscale numerical weather prediction (NWP) model. The Contour Error Map (CEM) technique identifies sea-breeze transition times in objectively-analyzed grids of observed and forecast wind, verifies the forecast sea-breeze transition times against the observed times, and computes the mean post-sea breeze wind direction and speed to compare the observed and forecast winds behind the sea-breeze front. The CEM technique is superior to traditional objective verification techniques and previously-used subjective verification methodologies because: It is automated, requiring little manual intervention, It accounts for both spatial and temporal scales and variations, It accurately identifies and verifies the sea-breeze transition times, and It provides verification contour maps and simple statistical parameters for easy interpretation. The CEM uses a parallel lowpass boxcar filter and a high-order bandpass filter to identify the sea-breeze transition times in the observed and model grid points. Once the transition times are identified, CEM fits a Gaussian histogram function to the actual histogram of transition time differences between the model and observations. The fitted parameters of the Gaussian function subsequently explain the timing bias and variance of the timing differences across the valid comparison domain. Once the transition times are all identified at each grid point, the CEM computes the mean wind direction and speed during the remainder of the day for all times and grid points after the sea-breeze transition time. The CEM technique performed quite well when compared to independent meteorological assessments of the sea-breeze transition times and results from a previously published subjective evaluation. The algorithm correctly identified a forecast or observed sea-breeze occurrence or absence 93% of the time during the two- month evaluation period from July and August 2000. Nearly all failures in CEM were the result of complex precipitation features (observed or forecast) that contaminated the wind field, resulting in a false identification of a sea-breeze transition. A qualitative comparison between the CEM timing errors and the subjectively determined observed and forecast transition times indicate that the algorithm performed very well overall. Most discrepancies between the CEM results and the subjective analysis were again caused by observed or forecast areas of precipitation that led to complex wind patterns. The CEM also failed on a day when the observed sea- breeze transition affected only a very small portion of the verification domain. Based on the results of CEM, the RAMS tended to predict the onset and movement of the sea-breeze transition too early and/or quickly. The domain-wide timing biases provided by CEM indicated an early bias on 30 out of 37 days when both an observed and forecast sea breeze occurred over the same portions of the analysis domain. These results are consistent with previous subjective verifications of the RAMS sea breeze predictions. A comparison of the mean post-sea breeze winds indicate that RAMS has a positive wind-speed bias for .all days, which is also consistent with the early bias in the sea-breeze transition time since the higher wind speeds resulted in a faster inland penetration of the sea breeze compared to reality.

Case, Jonathan L.↗

NASA NTRS2008

A Multi-Season Study of the Effects of MODIS Sea-Surface Temperatures on Operational WRF Forecasts at NWS Miami, FL

Studies at the Short-term Prediction Research and Transition (SPORT) Center have suggested that the use of Moderate Resolution Imaging Spectroradiometer (MODIS) sea-surface temperature (SST) composites in regional weather forecast models can have a significant positive impact on short-term numerical weather prediction in coastal regions. Recent work by LaCasse et al (2007, Monthly Weather Review) highlights lower atmospheric differences in regional numerical simulations over the Florida offshore waters using 2-km SST composites derived from the MODIS instrument aboard the polar-orbiting Aqua and Terra Earth Observing System satellites. To help quantify the value of this impact on NWS Weather Forecast Offices (WFOs), the SPORT Center and the NWS WFO at Miami, FL (MIA) are collaborating on a project to investigate the impact of using the high-resolution MODIS SST fields within the Weather Research and Forecasting (WRF) prediction system. The project's goal is to determine whether more accurate specification of the lower-boundary forcing within WRF will result in improved land/sea fluxes and hence, more accurate evolution of coastal mesoscale circulations and the associated sensible weather elements. The NWS MIA is currently running WRF in real-time to support daily forecast operations, using the National Centers for Environmental Prediction Nonhydrostatic Mesoscale Model dynamical core within the NWS Science and Training Resource Center's Environmental Modeling System (EMS) software. Twenty-seven hour forecasts are run dally initialized at 0300, 0900, 1500, and 2100 UTC on a domain with 4-km grid spacing covering the southern half of Florida and adjacent waters of the Gulf of Mexico and Atlantic Ocean. Each model run is initialized using the Local Analysis and Prediction System (LAPS) analyses available in AWIPS. The SSTs are initialized with the NCEP Real-Time Global (RTG) analyses at 1/12deg resolution (approx.9 km); however, the RTG product does not exhibit fine-scale details consistent with its grid resolution. SPORT is conducting parallel WRF EMS runs identical to the operational runs at NWS MIA except for the use of MODIS SST composites in place of the RTG product as the initial and boundary conditions over water, The MODIS SST composites for initializing the SPORT WRF runs are generated on a 2-km grid four times daily at 0400, 0700, 1600, and 1900 UTC, based on the times of the overhead passes of the Aqua and Terra satellites. The incorporation of the MODIS SST data into the SPORT WRF runs is staggered such that SSTs are updated with a new composite every six hours in each of the WRF runs. From mid-February to July 2007, over 500 parallel WRF simulations have been collected for analysis and verification. This paper will present verification results comparing the NWS MIA operational WRF runs to the SPORT experimental runs, and highlight any substantial differences noted in the predicted mesoscale phenomena for specific cases.

Case, Jonathan L.↗

NASA NTRS1997

Diurnal Forcing of Planetary Atmospheres

Much progress has been made on calculations of the Martian seasonal water cycle using the Mars Climate Model developed for this purpose. Two papers, documenting the model and the water transport results obtained with it have been published in the Journal of Geophysical Research - Planets. An additional paper describing results related to the evolution of the seasonal water cycle as a result of orbital changes was published in Advances in Space Research. Since that time, further studies have concentrated on the consequences of the soil adsorption required to match the observed water cycle and its relation to the stability of ground ice and other potential water reservoirs. Earth-related studies have concentrated on incorporating an efficient and realistic microphysical model into the Ames Stratospheric General Circulation Model used to simulate the spread of the ML Pinatubo and other volcanic clouds in the stratosphere. In addition, visualizations of the simulations are being incorporated into a video describing the UARS mission. A paper describing the new stratospheric aerosol microphysics package (and its consequences for volcanic cloud evolution) will be submitted in the near future. The paper will discuss the relative importance of condensation and coagulation to early particle growth and the separation of the cloud by sedimentation of the larger particles. A more general paper which highlights the observation that particle number densities did not increase dramatically after the ML Pinatubo eruption is planned. Simulations of atmospheric transport will be extended to include studies of terrestrial tropospheric tracers using the Fifth-Generation Penn State/NCAR Mesoscale Model.

Houben, Howard C.↗

NASA NTRS2007

Impact of MODIS High-Resolution Sea-Surface Temperatures on WRF Forecasts at NWS Miami, FL

Over the past few years,studies at the Short-term Prediction Research and Transition (SPoRT) Center have suggested that the use of Moderate Resolution Imaging Spectroradiometer (MODIS) composite sea-surface temperature (SST) products in regional weather forecast models can have a significant positive impact on short-term numerical weather prediction in coastal regions. The recent paper by LaCasse et al. (2007, Monthly Weather Review) highlights lower atmospheric differences in regional numerical simulations over the Florida offshore waters using 2-km SST composites derived from the MODIS instrument aboard the polar-orbiting Aqua and Terra Earth Observing System satellites. To help quantify the value of this impact on NWS Weather Forecast Offices (WFOs), the SPoRT Center and the NWS WFO at Miami, FL (MIA) are collaborating on a project to investigate the impact of using the high-resolution MODIS SST fields within the Weather Research and Forecasting (WRF) prediction system. The scientific hypothesis being tested is: More accurate specification of the lower-boundary forcing within WRF will result in improved land/sea fluxes and hence, more accurate evolution of coastal mesoscale circulations and the associated sensible weather elements. The NWS MIA is currently running the WRF system in real-time to support daily forecast operations, using the National Centers for Environmental Prediction Nonhydrostatic Mesoscale Model dynamical core within the NWS Science and Training Resource Center's Environmental Modeling System (EMS) software; The EMS is a standalone modeling system capable of downloading the necessary daily datasets, and initializing, running and displaying WRF forecasts in the NWS Advanced Weather Interactive Processing System (AWIPS) with little intervention required by forecasters. Twenty-seven hour forecasts are run daily with start times of 0300,0900, 1500, and 2100 UTC on a domain with 4-km grid spacing covering the southern half of Florida and the far western portions of the Bahamas, the Florida Keys, the Straights of Florida, and adjacent waters of the Gulf of Mexico and Atlantic Ocean. Each model run is initialized using the Local Analysis and Prediction System (LAPS) analyses available in AWIPS, invoking the diabatic. "hot-start" capability. In this WRF model "hot-start", the LAPS-analyzed cloud and precipitation features are converted into model microphysics fields with enhanced vertical velocity profiles, effectively reducing the model spin-up time required to predict precipitation systems. The SSTs are initialized with the NCEP Real-Time Global (RTG) analyses at l/12 degree resolution (approx. 9 km); however, the RTG product does not exhibit fine-scale details consistent with its grid resolution. SPoRT is conducting parallel WRF EMS runs identical to the operational runs at NWS MIA in every respect except for the use of MODIS SST composites in place of the RTG product as the initial and boundary conditions over water. The MODIS SST composites for initializing the SPoRT WRF runs are generated on a 2-km grid four times daily at 0400, 0700, 1600, and 1900 UTC, based on the times of the overhead passes of the Aqua and Terra satellites. The incorporation of the MODIS SST composites into the SPoRTWRF runs is staggered such that the 0400UTC composite initializes the 0900 UTC WRF, the 0700 UTC composite initializes the 1500 UTC WRF, the 1600 UTC composite initializes the 2100 UTC WRF, and the 1900 UTC composite initializes the 0300 UTC WRF. A comparison of the SPoRT and Miami forecasts is underway in 2007, and includes quantitative verification of near-surface temperature, dewpoint, and wind forecasts at surface observation locations. In addition, particular days of interest are being analyzed to determine the impact of the MODIS SST data on the development and evolution of predicted sea/land-breeze circulations, clouds, and precipitation. This paper will present verification results comparing the NWS MIA forecasts the SPoRT experimental WRF forecasts, and highlight any substantial differences noted in the predicted mesoscale phenomena.

Case, Jonathan L.↗

NASA NTRS1995

Meso-beta scale numerical simulation studies of terrain-induced jet streak mass/momentum perturbations

Mesoscale model simulations provide insight into the complex jet streak adjustments on 11-12 July 1981 that preceded the first of two significant gravity wave events to have been generated over the Rocky Mountains in Montana. Simulations employing a variety of terrain treatments indicate that prior to wave formation, geostrophic adjustment processes modified the structure of the mid-upper tropospheric jet streak by creating secondary jetlets to the southeast of the polar jet streak in proximity to the gravity wave generation region. This simulated restructuring of the mid-upper tropospheric jet streak is the result of a four stage process. During stage 1, the wind adjusts to the mass field as the jet streak exit region propagates into the inflection point between the upstream trough and downstream ridge in the height field. Stage 2 is initiated as the mass field is forced to adjust to the new ageostrophic wind field created during stage 1. Stage 3 is defined by a second geostrophic adjustment process occurring in a similar manner but to the south and east of the adjustment which occurs during stage 1. A low-level mesoscale jetlet is formed during stage 4 in response to the low-level pressure falls that are established during stage 3. The perturbation of this jetlet, caused by orographically-induced adiabatic and diabatic physical processes, is the likely mechanism responsible for the generation of the first and second episode of observed gravity waves. The dynamics responsible for this wave episode are discussed as differential surface sensible heating inducing an orographically-forced mountain-plains solenoid, resulting in the formation of additional mesoscale jetlets and internal gravity waves. Also discussed is how convective latent heating modifies the numerically simulated terrain-induced internal gravity waves, especially their amplitude and phase velocities, which provide better agreement with those wave characteristics observed in nature. Finally, the three-dimensional linear response of a zonally uniform barotropic flow in a vertically unbounded, continuously stratified, Boussinesq atmosphere which is perturbed from geostrophic equilibrium is investigated.

Lin, Yuh-Lang↗

DOE OSTI2025

Control of Two Solid Electrolyte Interphases at the Negative Electrode of an Anode‐Free All Solid‐State Battery based on Argyrodite Electrolyte

Abstract Anode‐free all solid‐state batteries (AF‐ASSBs) employ “empty” current collector with three active interfaces that determine electrochemical stability; lithium metal – Solid electrolyte (SE) interphase (SEI‐1), lithium – current collector interface, and collector – SE interphase (SEI‐2). Argyrodite Li 6 PS 5 Cl (LPSCl) solid electrolyte (SE) displays SEI‐2 containing copper sulfides, formed even at open circuit. Bilayer of 140 nm magnesium/30 nm tungsten (Mg/W‐Cu) controls the three interfaces and allows for state‐of‐the‐art electrochemical performance in half‐cells and fullcells. AF‐ASSB with NMC811 cathode achieves 150 cycles with Coulombic efficiency (CE) above 99.8%. With high mass‐loading cathode (8.6 mAh cm −2 ), AF‐ASSB retains 86.5% capacity after 45 cycles at 0.2C. During electrodeposition of Li, gradient Li‐Mg solid solution is formed, which reverses upon electrodissolution. This promotes conformal wetting/dewetting by Li and stabilizes SEI‐1 by lowering thermodynamic driving force for SE reduction. Inert refractory W underlayer is required to prevent ongoing formation of SEI‐2 that also drives electrochemical degradation. Inert Mo and Nb layers likewise protect Cu from corroding, while Li‐alloying layers (Mg, Sn) are less effective due to ongoing volume changes and associated pulverization. Mechanistic explanation for observed Li segregation within alloying Li x Mg layer is provided through mesoscale modelling, considering opposing roles of diffusivity differences and interfacial stresses.

Wang, Yixian [Materials Science and Engineering Pr↗

DOE OSTI2024

Mechanical Milling – Induced Microstructure Changes in Argyrodite LPSCl Solid-State Electrolyte Critically Affect Electrochemical Stability

Microstructure of argyrodite solid-state electrolyte (SSE) critically affects lithium metal electrodeposition/dissolution. While the stability of unmodified SSE is mediocre, once optimized state-of-the-art electrochemical performance is achieved (symmetric cells, full cells with NMC811) without secondary interlayers or functionalized current collectors. Planetary mechanical milling in wet media (m-xylene) is employed to alter commercial Li 6 PS 5 Cl (LPSCl) powder. Quantitative stereology demonstrates how milling progressively refines grain and pore size/distribution in the SSE compact, increases its density, and geometrically smoothens the SSE-Li interface. Mechanical indentation demonstrates that these changes lead to reduced site-to-site variation in the compact's hardness. Milled microstructures promote uniform early-stage electrodeposition on foil collectors and stabilize solid electrolyte interphase (SEI) reactivity. Analysis of half-cells with bilayer electrolytes demonstrates the importance of microstructure directly contacting current collector, with interface roughness due to pore and grain size distribution being key. For the first time, short-circuiting Li metal dendrite is directly identified, employing 1.5 mm diameter “mini” symmetrical cell and cryogenic focused ion beam (cryo-FIB) electron microscopy. The branching sheet-like dendrite traverses intergranularly, filling the interparticle voids and forming an SEI around it. Importantly, mesoscale modeling reveals the relationship between Li-SSE interface morphology and the onset of electrochemical instability, based on underlying reaction current distribution.

25 ENERGY STORAGE↗

DOE OSTI2024

Interdependence of Support Wettability ‐ Electrodeposition Rate‐ Sodium Metal Anode and SEI Microstructure

Abstract This study examines how current collector support chemistry (sodiophilic intermetallic Na 2 Te vs. sodiophobic baseline Cu) and electrodeposition rate affect microstructure of sodium metal and its solid electrolyte interphase (SEI). Capacity and current (6 mAh cm −2 , 0.5–3 mA cm −2 ) representative of commercially relevant mass loading in anode‐free sodium metal battery (AF‐SMBs) are analyzed. Synchrotron X‐ray nanotomography and grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) are combined with cryogenic ion beam (cryo‐FIB) microscopy. Highlighted are major differences in film morphology, internal porosity, and crystallographic preferred orientation e.g. (110) vs. (100) and (211) with support and deposition rate. Within the SEI, sodium fluoride (NaF) is more prevalent with Te−Cu versus sodium hydride (NaH) and sodium hydroxide (NaOH) with baseline Cu. Due to competitive grain growth the preferred orientation of sodium crystallites depends on film thickness. Mesoscale modeling delineates the role of SEI (ionic conductivity, morphology) on electrodeposit growth and onset of electrochemical instability.

Lo, Chang‐An↗

DOE OSTI2024

Alumina – Stabilized SEI and CEI in Potassium Metal Batteries

Aluminum oxide (Al 2 O 3 ) nanopowder is spin-coated onto both sides of commercial polypropene separator to create artificial solid-electrolyte interphase (SEI) and artificial cathode electrolyte interface (CEI) in potassium metal batteries (KMBs). Here, this significantly enhances the stability, including of KMBs with Prussian Blue (PB) cathodes. For example, symmetric cells are stable after 1,000 cycles at 0.5 mA/cm 2 –0.5 mAh/cm 2 and 3.0 mA/cm 2 –0.5 mAh/cm 2 . Alumina modified separators promote electrolyte wetting and increase ionic conductivity (0.59 vs. 0.2 mS/cm) and transference number (0.81 vs. 0.23). Cryo-stage focused ion beam (cryo-FIB) analysis of cycled modified anode demonstrates dense and planar electrodeposits, versus unmodified baseline consisting of metal filaments (dendrites) interspersed with pores and SEI. Alumina-modified CEI also suppresses elemental Fe crossover and reduces cathode cracking. Mesoscale modeling of metal – SEI interactions captures crucial role of intrinsic heterogeneities, illustrating how artificial SEI affects reaction current distribution, conductivity and morphological stability.

25 ENERGY STORAGE↗

DOE OSTI2024

Interdependence of Support Wettability - Electrodeposition Rate- Sodium Metal Anode and SEI Microstructure

Here, this study examines how current collector support chemistry (sodiophilic intermetallic Na 2 Te vs. sodiophobic baseline Cu) and electrodeposition rate affect microstructure of sodium metal and its solid electrolyte interphase (SEI). Capacity and current (6 mAh cm -2 , 0.5–3 mA cm -2 ) representative of commercially relevant mass loading in anode-free sodium metal battery (AF-SMBs) are analyzed. Synchrotron X-ray nanotomography and grazing-incidence wide-angle X-ray scattering (GIWAXS) are combined with cryogenic ion beam (cryo-FIB) microscopy. Highlighted are major differences in film morphology, internal porosity, and crystallographic preferred orientation e.g. (110) vs. (100) and (211) with support and deposition rate. Within the SEI, sodium fluoride (NaF) is more prevalent with Te-Cu versus sodium hydride (NaH) and sodium hydroxide (NaOH) with baseline Cu. Due to competitive grain growth the preferred orientation of sodium crystallites depends on film thickness. Mesoscale modeling delineates the role of SEI (ionic conductivity, morphology) on electrodeposit growth and onset of electrochemical instability.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Impact of Salt Chemistry and Interlayer Architecture on Solid Electrolyte Interphase Composition and Performance

Reversible lithium metal anodes require interphases that are chemically stable, mechanically robust, and compatible with scalable processing. Here, we use slot-die-coated, salt-rich PEO interlayers to design SEI nanolayers on Cu current collectors and isolate how salt anion chemistry controls interphase composition and lithium plating/stripping behavior in architectures relevant to Li plating and anode-free cells. Mesoscale modeling shows that dendrite initiation at SEI defects is governed by a tradeoff among interphase thickness, ionic conductivity, and stiffness through defect-driven current focusing, motivating controlled formation from thin precursor layers. Using UHV-transferred XPS and ToF-SIMS depth profiling after controlled Li deposition, we find that fluorinated sulfonylimide salts (LiTFSI, LiFSI) form mixed inorganic/organic interphases containing LiF and PEO-derived alkoxides, with LiFSI producing a more LiF-dominant Li-facing surface than LiTFSI under identical conditions. In contrast, LiNO 3 -containing interlayers yield a comparatively thick nitrate-derived interphase that reduces upon Li contact to an N-rich inorganic layer (Li–N/N 3− , LiN x O y ). In Cu| |Li cells, these designed interlayers reduce interfacial resistance and improve Coulombic efficiency (CE) and critical current density (CCD) relative to uncoated controls, with LiFSI- and LiNO 3 -based interlayers providing the highest CE/CCD. Overall, the results demonstrate a manufacturing-relevant approach to engineer SEI nanolayers by salt chemistry, providing pathways to improve reversible lithium metal anodes while reducing reliance on LiTFSI.

anion chemistry↗

DOE OSTI2026

Machine learning insights into microstructural origins of transport and mechanical properties in porous microstructures

Multifunctional porous materials are increasingly needed across various fields, but their complex microstructures create significant challenges due to the intricate microstructure-property relationships. This complexity, combined with limitations of traditional analysis methods, hinders efforts to understand and optimize microstructure–property relationships. Here, to address this, we integrate physics-based mesoscale modeling with interpretable machine learning (ML) to uncover how microstructural features govern effective diffusivity and elastic modulus. At constant porosity, we show diffusivity varies by over 150 × and modulus by ∼50 ×, highlighting the power of microstructure engineering. Statistical analysis reveals bimodal behavior in diffusivity and unimodal in modulus. ML identifies connectivity as the dominant factor, while modulus is also sensitive to domain size and feature interactions. Controlled simulations further highlight domain shape as a critical feature for modulus. This framework enables efficient exploration of microstructure-property correlations, offering new insights to guide the design of advanced porous materials.

Bicontinuous microstructure↗

DOE OSTI2026

Chemical and Structural Insights into Solid Electrolyte Interphase Evolution for Sodium Metal Electrodes

The solid electrolyte interphase (SEI) critically governs the reversibility of sodium metal batteries, through dynamically mediating ion transport and interfacial reactions. However, its kinetic evolution under operating conditions, and how it influences interfacial stability, remains poorly understood. Here, in this study, we reveal that the SEI undergoes coupled chemical and mechanical changes during sodium plating and stripping, leading to spatial and temporal heterogeneity that drives interfacial degradation. Synchrotron operando grazing-incidence wide-angle X-ray scattering and soft X-ray absorption spectroscopy capture the sequential formation and dissolution of inorganic SEI phases (NaF, NaH, NaOH, Na 2 PO 3 F), accompanied by depth-dependent alterations in organic SEI components. Mesoscale modeling connects this evolving SEI heterogeneity to localized current density fluctuations and stress accumulation at the Na interface, identifying pathways to electrically isolated sodium formation. These findings show that SEI instability fundamentally limits reversibility in sodium metal batteries, and that controlling SEI chemistry–mechanics coupling is essential to achieving its durability.

36 MATERIALS SCIENCE↗