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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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27 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Can upscaling ground nadir SIF to eddy covariance footprint improve the relationship between SIF and GPP in croplands?

Ground solar-induced chlorophyll fluorescence (SIF) is important for the mechanistic understanding of the dynamics of vegetation gross primary production (GPP) at fine spatiotemporal scales. However, eddy covariance (EC) observations generally cover larger footprint areas than ground SIF observations (a bare fiber with nadir), and this footprint mismatch between nadir SIF and GPP could complicate the canopy SIF-GPP relationships. Here, we upscaled nadir SIF observations to EC footprint and investigated the change in SIF-GPP relationships after the upscaling in cropland. We included 13 site-years data in our study, with seven site-years corn, four site-years soybeans, and two site-years miscanthus, all located in the US Corn Belt. All sites’ crop nadir SIF observations collected from the automated FluoSpec2 system (a hemispheric-nadir system) were upscaled to the GPP footprint-based SIF using vegetation indices (VIs) calculated from high spatiotemporal satellite reflectance data. We found that SIF-GPP relationships were not substantially changed after upscaling nadir SIF to GPP footprint at our crop sites planted with corn, soybean, and miscanthus, with R 2 change after the upscaling ranging from -0.007 to 0.051 and root mean square error (RMSE) difference from -0.658 to 0.095 umol m –2 s –1 relative to original nadir SIF-GPP relationships across all the site-years. The variation of the SIF-GPP relationship within each species across different site-years was similar between the original nadir SIF and upscaled SIF. Different VIs, EC footprint models, and satellite data led to marginal differences in the SIF-GPP relationships when upscaling nadir SIF to EC footprint. Furthermore, our study provided a methodological framework to correct this spatial mismatch between ground nadir SIF and GPP observations for croplands and potentially for other ecosystems. Our results also demonstrated that the spatial mismatch between ground nadir SIF and GPP might not significantly affect the SIF-GPP relationship in cropland that are largely homogeneous.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Upscaling Methane Flux From Plot Level to Eddy Covariance Tower Domains in Five Alaskan Tundra Ecosystems

Spatial heterogeneity in methane (CH 4 ) flux requires a reliable upscaling approach to reach accurate regional CH 4 budgets in the Arctic tundra. In this study, we combined the CLM-Microbe model with three footprint algorithms to scale up CH 4 flux from a plot level to eddy covariance (EC) tower domains (200 m × 200 m) in the Alaska North Slope, for three sites in Utqiaġvik (US-Beo, US-Bes, and US-Brw), one in Atqasuk (US-Atq) and one in Ivotuk (US-Ivo), for a period of 2013–2015. Three footprint algorithms were the homogenous footprint (HF) that assumes even contribution of all grid cells, the gradient footprint (GF) that assumes gradually declining contribution from center grid cells to edges, and the dynamic footprint (DF) that considers the impacts of wind and heterogeneity of land surface. Simulated annual CH 4 flux was highly consistent with the EC measurements at US-Beo and US-Bes. In contrast, flux was overestimated at US-Brw, US-Atq, and US-Ivo due to the higher simulated CH 4 flux in early growing seasons. The simulated monthly CH 4 flux was consistent with EC measurements but with different accuracies among footprint algorithms. At US-Bes in September 2013, RMSE and NNSE were 0.002 μmol m −2 s −1 and 0.782 using the DF algorithm, but 0.007 μmol m −2 s −1 and 0.758 using HF and 0.007 μmol m −2 s −1 and 0.765 using GF, respectively. DF algorithm performed better than the HF and GF algorithms in capturing the temporal variation in daily CH 4 flux each month, while the model accuracy was similar among the three algorithms due to flat landscapes. Temporal variations in CH 4 flux during 2013–2015 were predominately explained by air temperature (67–74%), followed by precipitation (22–36%). Spatial heterogeneities in vegetation fraction and elevation dominated the spatial variations in CH 4 flux for all five tower domains despite relatively weak differences in simulated CH 4 flux among three footprint algorithms. The CLM-Microbe model can simulate CH 4 flux at both plot and landscape scales at a high temporal resolution, which should be applied to other landscapes. Integrating land surface models with an appropriate algorithm provides a powerful tool for upscaling CH 4 flux in terrestrial ecosystems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

FIFE data analysis: Testing BIOME-BGC predictions for grasslands

The First International Satellite Land Surface Climatology Project (ISLSCP) Field Experiment (FIFE) was conducted in a 15 km by 15 km research area located 8 km south of Manhattan, Kansas. The site consists primarily of native tallgrass prairie mixed with gallery oak forests and croplands. The objectives of FIFE are to better understand the role of biology in controlling the interactions between the land and the atmosphere, and to determine the value of remotely sensed data for estimating climatological parameters. The goals of FIFE are twofold: the upscale integration of models, and algorithm development for satellite remote sensing. The specific objectives of the field campaigns carried out in 1987 and 1989 were the simultaneous acquisition of satellite, atmospheric, and surface data; and the understanding of the processes controlling surface energy and mass exchange. Collected data were used to study the dynamics of various ecosystem processes (photosynthesis, evaporation and transpiration, autotrophic and heterotrophic respiration, etc.). Modelling terrestrial ecosystems at scales larger than that of a homogeneous plot led to the development of simple, generalized models of biogeochemical cycles that can be accurately applied to different biomes through the use of remotely sensed data. A model was developed called BIOME-BGC (for BioGeochemical Cycles) from a coniferous forest ecosystem model, FOREST-BGC, where a biome is considered a combination of a life forms in a specified climate. A predominately C4-photosynthetic grassland is probably the most different from a coniferous forest possible, hence the FIFE site was an excellent study area for testing BIOME-BGC. The transition from an essentially one-dimensional calculation to three-dimensional, landscape scale simulations requires the introduction of such factors as meteorology, climatology, and geomorphology. By using remotely sensed geographic information data for important model inputs, process-based ecosystem simulations at a variety of scales are possible. The second objective of this study is concerned with determining the accuracy of the estimated fluxes from BIOME-BGC, when extrapolated spatially over the entire 15-km by 15-km FIFE site. To accomplish this objective, a topographically distributed map of soil depth at the FIFE site was developed. These spatially-distributed fluxes were then tested with data from aircraft by eddy-flux correlation obtained during the FIFE experiment.

Hunt, E. Raymond, Jr.↗
DOE OSTI2020

Spatially Resolved Performance Analysis for Perovskite Solar Cells

This review explores the current state of the art in spatially resolved characterization of mixed-halide perovskite solar cells. As the size of perovskite cells and modules continues to grow, quantification of the spatial distribution of key cell parameters will become increasingly valuable in predicting ultimate cell-level performance and tracking process homogeneity. Here, both high resolution microscopic approaches using scanning techniques and camera-based methods for full-area cell and/or module analysis are discussed. The value of this local data in predicting performance losses at the cell level is particularly emphasized. Measurable physical parameters sensitive to losses of voltage, current, fill factor, and efficiency are discussed together with selected experimental results. It is demonstrated that a combination of spatially resolved cell parameter mapping/imaging can be used to quantitatively discriminate various loss contributions at high resolution. The impact and control of inhomogeneities become particularly important when upscaling from small devices to large formats compatible with industrial mass production.

14 SOLAR ENERGY↗
DOE OSTI2020

Impact of sub-core scale heterogeneity on CO2/brine multiphase flow for geological carbon storage in the Minnelusa sandstone

CO2 geological storage in deep saline aquifers is a mitigation option for CO2 emissions due to its large storage capacity and immediate accessibility. Accurately determining the CO2-brine relative permeability curves is key to the evaluation of CO2 injectivity and sweep efficiency in reservoir simulation as well as the CO2 injection in the field. This study highlights the remarkable effects of sub-core scale heterogeneity on the CO2-brine multiphase flow properties of the Minnelusa Sandstone in Wyoming. Two unsteady state CO2-brine drainage experiments were performed on the two samples. The first sample exhibits slanted laminated structure, while the second one represents a more homogeneous sandstone system. The CO2 saturation distributions during drainage reveals that the main variation in multiphase flow properties of two core samples were attributed to the porosity distribution that leads to the capillary pressure heterogeneity. Assisted history matching was used to obtain the respective relative permeability curves, which suggests heterogeneity-dependent behavior. In addition, sensitive and uncertainty analyses indicate that physical and petro-physical properties of low-porosity and low-permeability bedding layers exert marked effects on CO2 front breakthrough time and brine production. The results presented in this study help to gain insight into the CO2-brine multiphase flow properties in heterogeneous sandstones and can pave the way for the upscaling of CO2 migration and field-scale simulation accurately. This work is funded under the Department of Energy CarbonSAFE program (awards DE-FE0031624 DE0031891).

Kou, Zuhao↗
DOE OSTI2023

Enhancing Lithium-Ion Battery Aging Simulations: Coupling a High-Resolution, 3D, Grain-Scale Electromechanical Model to a Single-Particle Model

One of the main goals in modeling lithium-ion batteries is to improve/predict longevity and resilience of new chemistries. Unfortunately, this requires simulation of thousands of charge/discharge cycles, which can be rather time consuming depending on the fidelity of the simulation. The purpose of this talk is to discuss a new modeling framework that couples a high-resolution, continuous damage model (CDM) to a single particle model (SPM) resulting in a good combination of speed and fidelity. In previous work, a 3D, continuum-level chemo-mechanical model was developed to investigate cracking within a single cathode particle comprised of hundreds to thousands of randomly oriented grains. The CDM predicted that particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. Essentially, when neighboring grains were misaligned, they expanded different rates relative to one another leading to high stresses and ultimately the formation of intraparticle cracks. The model predicted that small particles with large grains develop significantly less damage than larger particles with small grains. Finally, the model predicted most of the chemo-mechanical damage accumulates in the first charge after formation. This chemo-mechanical "damage saturation" effect indicated that initial particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced. This led to a need for simulating fatigue-like mechanism that degrade the battery over longer time scales. In order to reach the time scales, need to resolve fatigue-like degradation, the CDM needs to be complemented by a faster model. Therefore, recent efforts have been focused on using results from the CDM to inform parameters within the SPM. These parameters are homogenization factors that are associated with diffusion, particle radius, and/or exchange current density. By coupling the CDM to the SPM, the aging simulation is broken up into two domains: short-term and long-term degradation. The short-term degradation occurs over a single cycle and is handled by the CDM due of its high fidelity, but relatively expensive computational cost. Such mechanism include break-in crack caused by mismatches in grain orientation. The long-term degradation occurs over tens of cycles and is handled by the SPM due it's computational efficiency. Most of the fatigue-like mechanism fall into this category. The eventual goal of this modeling framework is to upscale to a psudo-2D model allowing for full electrode simulation, which are informed by high-fidelity grain-scale simulations.

electrochemistry↗
DOE OSTI2023

Measuring scale-dependent shape anisotropy by coarse-graining: Application to inhomogeneous Rayleigh-Taylor turbulence

Here, we generalize the “filtering spectrum” to probe scales along different directions by spatial coarse-graining. This multidimensional filtering spectrum quantifies the spectral content of flows that are not necessarily homogeneous. From multidimensional spectral information, we propose a simple metric for shape anisotropy at various scales. The method is applied to simulations of two-dimensional (2D) and 3D Rayleigh-Taylor (RT) turbulence, which is inhomogeneous and anisotropic. We show that 3D RT has clear shape anisotropy at large scales with approximately 4:3 vertical to horizontal aspect ratio but tends toward isotropy at small scales as expected. In sharp contrast, we find that RT in 2D simulations, which are still the main modeling framework for many applications, is isotropic at large scales and its shape anisotropy increases at smaller scales where structures tend to be horizontally elongated. While this may be surprising, it is consistent with recent results that large-scale isotropy in 2D RT is due to the generation of a large-scale overturning circulation via an upscale cascade, while small-scale anisotropy is due to the stable stratification resultant from such overturning and the inefficient mixing in 2D.

42 ENGINEERING↗
DOE OSTI2022

Time-dependent THMC properties and microstructural evolution of damaged rocks in excavation damage zone

Modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in host rocks near high-level nuclear waste (HLW) repositories at various time scales is an extremely challenging task. The current study integrates experimental, theoretical, and numerical methods in assessing the evolution of excavation damage zone (EDZ) over time and its implication on the long-term migration of hazardous species. Argillite and rock salt and are the focus of this study. The first part of the report presents a novel time-dependent directional microcrack damage theory for generic brittle rocks. It features detailed statistical description of the microcracks within a damaged solid, permitting a direct upscaling of microscale processes such as crack growth kinetics, crack closure/opening, sliding friction to explain the macroscopic creep, nonlinear elasticity, shear dilation, and loading-unloading hysteresis. This provides a basic platform for describing the anisotropic mechanical and transport properties of damaged rocks during excavation and subsequent THMC loadings. The model is validated and numerically implemented to Finite Element (FE) package ABAQUS through the user-defined material (UMAT) interface and have demonstrated great potential in resolving the time-dependent and anisotropic evolution of damage in the EDZ. The second part of the report presents a multi-scale experimental effort in characterizing the thermal, hydraulic, and mechanical properties of Mancos shale and Avery Island salt. For the Mancos shale, triaxial compression tests are performed at different confining pressures and temperatures to probe its thermomechanical properties relevant to HLW repositories. The obtained stress-strain data are interpreted using the proposed directional damage theory. Post-test specimens are subjected to gas permeability tests to reveal the correlation between permeability and the degree of microcracking. At microscale, temperature-controlled nanoindentation tests are performed and found a linear correlation between fracture toughness and elastic modulus from 25°C to 300°C. For Avery Island salt, we have designed and manufactured a novel relative-humidity controlled uniaxial creep device. Long-term creep tests at low stresses (< 5 MPa) are performed at different levels of relative humidity (RH). Besides confirming the much higher creep rates as one would expect through extrapolating the high-stress creep data, the results reveal that the steady-state creep rate of rock salt is strongly dependent on the ambient RH, an aspect that is often neglected in the literature. Both behaviors can be attributed to the pressure-solution creep mechanism which dominates at low stress and high RH levels. The third part of the report explores a set of numerical strategies in modeling the THMC behavior of porous geomaterials. A fully implicit, monolithic FE solution that can flexibly interface with different material models and coupling mechanisms for THMC problems is developed and verified through the ABAQUS user-defined element (UEL) interface. The scheme is used to study the THM response of a hypothetical HLW storage site with reference to an existing in-situ heater test. Strategies for integrating the UEL and the microcrack UMAT are suggested. Another numerical endeavor of this study is to implement a higher-order asymptotic homogenization method to account for the heterogeneous porous structures. The same method is then extended to perform microstructure-informed thermo-mechanical modeling of generalized continua. The above outcomes of this project provide a strong thrust towards enhancing the fundamental understanding and modeling capability of the long-term evolution of host rocks in EDZ, thus helping achieve the design goal of 1-million-year isolation of high-level nuclear wastes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Managing Subsurface Pressure Buildup and Interference in Commercial-Scale CO 2 Storage Project with Proximal Injection Wells

Large-scale decarbonization using carbon capture and storage (CCS) is likely to involve many commercial-scale CO 2 storage projects located in close proximity to each other. This close proximity raises concerns over pressure interference among the storage projects. Pressure interference between injection and storage efforts can reduce the practicable CO 2 storage resource and force wells to inject CO 2 at a lower rate to avoid the fracture pressure thresholds per United States Environmental Protection Agency (EPA) Class VI well regulations to preserve injection and confining zone integrity and potentially mitigate against inducing seismic activity. These analyses employ numerical full-physics reservoir modeling to evaluate how pressure buildup fronts and CO 2 plumes evolve under commercial-scale injection volumes of CO 2 in which multiple storage sites located in close proximity occur in tandem. The simulation models mimic injection at pseudo basin-scale and assume homogeneous saline formation(s) as storage targets with a pair of upper and lower homogeneous seal layer/s. These analyses specifically investigate the efficacy of two basin-wide reservoir pressure management strategies in addressing the technical challenges associated with pressure buildup and CO 2 plume commingling. The strategies explored include: 1) enlarging the area of injection well spacing (WS) and 2) storing CO 2 in a stacked sequence (SSS) of saline formations compared to a single formation. The storage and confining zones properties assumed were held common across the scenarios, unless specified otherwise. Analyses results show that after injecting 4 million tons per year for 30 years using 4 separate wells (each injecting 1 million metric tons per year), the radius of CO 2 plume extends to a mere 3 km or less from injection wells. Meanwhile, the radius of pressure buildup ranges on the order of tens to a few hundreds of kilometers, depending on the magnitude of pressure buildup threshold that one would use to define the front. CO 2 plume commingling from different injection wells appears to occur 50 years post-injection, especially under scenarios with narrowly spaced (i.e., < 5 km apart) injection well locations. Findings from sensitivity cases on the well spacing suggest that storage formations modeled would require different well spacing to avoid fracture pressure thresholds. For instance, modeled storage formations with high fracture gradients (i.e., 0.8 psi/ft) would need less than 5–km well spacing, whereas those with lower fracture gradients (i.e., 0.7 psi/ft) would need approximately 20–km well spacing, based on assumed modeling parameters. Under stacked injection, the pressure challenges (described above) still exist but are more alleviated due to distributing the same injection volume across more available reservoir volume. These analyses demonstrate that stacked-sequence storage can effectively address the challenges, while still providing the same target CO 2 storage volumes and allowing a large number of storage projects to be deployed in the same basin by better utilizing the available storage resource across different reservoir depths. Among cases modeled, the resulting pressure buildup front is most suppressed when each storage project distributes injection volumes over several wells, each of which injects a portion of the total CO 2 across the stacked sequence. This strategy results in the smallest CO 2 aerial footprint amongst scenarios evaluated but also shows the largest reduction in the pressure buildup at the top of perforation at the injection wells (upwards of approximately 42 percent compared to the commercial-scale single-formation storage), the result of which is crucial to maintain caprock integrity. The findings presented by this research draw attention to the importance of greater coordination among storage operators and regulatory stakeholders to foster the upscaling and deployment of CCS. These analyses provide insights into required decision-making when considering multi-project deployment in a shared basin. Because these analyses evaluate a very specific geologic situation, they bear further investigations across other geologic situations.

42 ENGINEERING↗