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NASA NTRS2023

Surface Biology and Geology Imaging Spectrometer: A Case Study to Optimize the Mission Design Using Intrinsic Dimensionality

The information content that can be derived from spectroscopic imagery tends to increase with finer ground sampling distance, finer spectral sampling, more frequent revisit, and higher signal-to-noise ratios (SNRs). However, these parameters are not independent, and it is thus impossible to design a space-borne imaging spectrometer to maximize all of them simultaneously. We present an instrument model and simulation environment that enable us to find the optimal combination of these four mission design parameters, using intrinsic dimensionality (ID) as the metric. ID is the size of the signal subspace – the maximum degrees of freedom when noise can be disregarded – and is a metric that is independent of any one particular algorithm or application area. This study is important for upcoming missions such as NASA's Earth System Observatory mission to study the Earth's Surface Biology and Geology (SBG), which will comprise a visible to shortwave infrared spectrometer in addition to a multi-channel thermal radiometer on a separate platform. When evaluating a desert site and a tropical forested site, we find that spectral resolution drives information content, with a significant drop in normalized ID (15–45% decrease) when simulating 15 nm spectral sampling as opposed to 10 nm spectral sampling. However, there was some variation between sites, with the forested site benefiting from 5 nm spectral sampling, whereas the desert site had poorer results at this resolution, due to the impact on noise. At 10 nm spectral sampling, ground sampling distances in the range 30–50 m provided the optimal balance between spatial resolution and SNR, although more frequent revisit, potentially by combining data from multiple missions, would maximize total information content.

Mission design↗

NASA NTRS2023

Development of High-Resolution Soil Hydraulic Parameters with Use of Earth Observations for Enhancing Root Zone Soil Moisture Product

Regional quantification of energy and water balance fluxes depends inevitably on the estimation of surface and rootzone soil moisture. The simulation of soil moisture depends on the soil retention characteristics, which are difficult to estimate at a regional scale. Thus, the present study proposes a new method to estimate high-resolution Soil Hydraulic Parameters (SHPs) which in turn help to provide high-resolution (spatial and temporal) rootzone soil moisture (RZSM) products. The study is divided into three phases—(I) involves the estimation of finer surface soil moisture (1 km) from the coarse resolution satellite soil moisture. The algorithm utilizes MODIS 1 km Land Surface Temperature (LST) and 1 km Normalized difference vegetation Index (NDVI) for downscaling 25 km C-band derived soil moisture from AMSR-2 to 1 km surface soil moisture product. At one of the test sites, soil moisture is continuously monitored at 5, 20, and 50 cm depth, while at 44 test sites data were collected randomly for validation. The temporal and spatial correlation for the downscaled product was 70% and 83%, respectively. (II) In the second phase, downscaled soil moisture product is utilized to inversely estimate the SHPs for the van Genuchten model (1980) at 1 km resolution. The numerical experiments were conducted to understand the impact of homogeneous SHPs as compared to the three-layered parameterization of the soil profile. It was seen that the SHPs estimated using the downscaled soil moisture (I-d experiment) performed with similar efficiency as compared to SHPs estimated from the in-situ soil moisture data (I-b experiment) in simulating the soil moisture. The normalized root mean square error (nRMSE) for the two treatments was 0.37 and 0.34, respectively. It was also noted that nRMSE for the treatment with the utilization of default SHPs (I-a) and AMSR-2 soil moisture (I-c) were found to be 0.50 and 0.43, respectively. (III) Finally, the derived SHPs were used to simulate both surface soil moisture and RZSM. The final product, RZSM which is the daily 1 km product also showed a nearly 80% correlation at the test site. The estimated SHPs are seen to improve the mean NSE from 0.10 (I-a experiment) to 0.50 (I-d experiment) for the surface soil moisture simulation. The mean nRMSE for the same was found to improve from 0.50 to 0.31.

soil moisture downscaling↗

NASA NTRS2017

Monitoring Land Surface Albedo and Vegetation Dynamics Using High Spatial and Temporal Resolution Synthetic Time Series from Landsat and the MODIS BRDF/NBAR/Albedo Product

Seasonal vegetation phenology can significantly alter surface albedo which in turn affects the global energy balance and the albedo warmingcooling feedbacks that impact climate change. To monitor and quantify the surface dynamics of heterogeneous landscapes, high temporal and spatial resolution synthetic time series of albedo and the enhanced vegetation index (EVI) were generated from the 500-meter Moderate Resolution Imaging Spectroradiometer (MODIS) operational Collection V006 daily BRDF (Bidirectional Reflectance Distribution Function) / NBAR (Nadir BRDF-Adjusted Reflectance) / albedo products and 30-meter Landsat 5 albedo and near-nadir reflectance data through the use of the Spatial and Temporal Adaptive Reflectance Fusion Model (STARFM). The traditional Landsat Albedo (Shuai et al., 2011) makes use of the MODIS BRDFAlbedo products (MCD43) by assigning appropriate BRDFs from coincident MODIS products to each Landsat image to generate a 30-meter Landsat albedo product for that acquisition date. The available cloud free Landsat 5 albedos (due to clouds, generated every 16 days at best) were used in conjunction with the daily MODIS albedos to determine the appropriate 30-meter albedos for the intervening daily time steps in this study. These enhanced daily 30-meter spatial resolution synthetic time series were then used to track albedo and vegetation phenology dynamics over three Ameriflux tower sites (Harvard Forest in 2007, Santa Rita in 2011 and Walker Branch in 2005). These Ameriflux sites were chosen as they are all quite nearby new towers coming on line for the National Ecological Observatory Network (NEON), and thus represent locations which will be served by spatially paired albedo measures in the near future. The availability of data from the NEON towers will greatly expand the sources of tower albedometer data available for evaluation of satellite products. At these three Ameriflux tower sites the synthetic time series of broadband shortwave albedos were evaluated using the tower albedo measurements with a Root Mean Square Error (RMSE) less than 0.013 and a bias within the range of 0.006. These synthetic time series provide much greater spatial detail than the 500 meter gridded MODIS data, especially over more heterogeneous surfaces, which improves the efforts to characterize and monitor the spatial variation across species and communities. The mean of the difference between maximum and minimum synthetic time series of albedo within the MODIS pixels over a subset of satellite data of Harvard Forest (16 kilometers by 14 kilometers) was as high as 0.2 during the snow-covered period and reduced to around 0.1 during the snow-free period. Similarly, we have used STARFM to also couple MODIS Nadir BRDF-Adjusted Reflectances (NBAR) values with Landsat 5 reflectances to generate daily synthetic times series of NBAR and thus Enhanced Vegetation Index (NBAR-EVI) at a 30-meter resolution. While normally STARFM is used with directional reflectances, the use of the view angle corrected daily MODIS NBAR values will provide more consistent time series. These synthetic times series of EVI are shown to capture seasonal vegetation dynamics with finer spatial and temporal details, especially over heterogeneous land surfaces.

Vegetation Index↗

NASA NTRS2002

Land Surface Data Assimilation and the Gulf Coast Sea-Breeze

A technique has been developed for assimilating GOES-derived skin temperature tendencies and insolation into the surface energy budget equation of a mesoscale model so that the simulated rate of temperature change closely agrees with the satellite observations. A critical assumption of the technique is that the availability of moisture (either from the soil or vegetation) is the least known term in the model's surface energy budget. Therefore, the simulated latent heat flux, which is a function of surface moisture availability, is adjusted based upon differences between the modeled and satellite observed skin temperature tendencies. An advantage of this technique is that satellite temperature tendencies are assimilated in an energetically consistent manner that avoids energy imbalances and surface stability problems that arise from direct assimilation of surface shelter temperatures. The fact that the rate of change of the satellite skin temperature is used rather than the absolute temperature means that sensor calibration is not as critical. The focus of this paper is to examine how the satellite assimilation technique impacts simulations of near-surface meteorology on the 4- to 48-hour time scale. The technique is implemented within the PSU/NCAR MM5 V34 and applied on a 36-km CONUS domain and a 12-km nest centered over Oklahoma. Two Friday periods during 2000 were selected for study, one during the warm season (May-June) and the other in the cold season (Nov-Dec). Bulk verification statistics (BIAS and RMSE) of surface air temperature and dewpoint show that the assimilation technique can improve numerical simulations on both regional and continental scales. Comparison of the simulated surface energy and water fluxes with observations from Energy Balance Bowen Ratio measurements taken at CART/ARM sites in the Southern Great Plains showed the assimilation technique produces a realistic argument of the Bowen ratio in both seasons. Additional runs with the Oregon State University land surface scheme as implemented within MM5 will be made and comparisons with assimilation results will be presented at the meeting.

Lapenta, William M.↗

DOE OSTI2022

Quantifying Subsurface Flow and Solute Transport in a Snowmelt‐Recharged Hillslope With Multiyear Water Balance

Abstract Quantifying flow and transport from hillslopes is vital for understanding water quantity and quality in rivers, but remains obscure because of limited subsurface measurements. Using measured hydraulic conductivity K profiles and water balance over a single year to calibrate a transmissivity feedback model for a hillslope in the East River watershed (Colorado) proved unsatisfactory for predicting flow over the subsequent years. Well‐constrained field‐scale K were obtained by optimizing subsurface flux predictions over years having large differences in recharge, and by including estimates of interannual transfer of excess snowmelt recharge. Water and solute exports during high snowmelt recharge occur predominantly via shallow groundwater flow through weathered rock and soil because of their enlarged transmissivities under saturated conditions. Conversely, these shallow pathways are less active in snow drought years when the water table remains deeper within the weathering zone. Hillslope soil water monitoring showed that rainfall does not infiltrate deeply during summer and fall months, and revealed water losses consistent with model ET predictions. By combining water table‐dependent fluxes with pore water chemistry in different zones, time‐dependent rates of solute exports become predictable. As an example, calibrated K were combined with dissolved nitrogen concentrations in pore waters to show the snowmelt‐dependence of reactive nitrogen exported from the hillslope, further supporting the recent finding that the weathering zone is the dominant source of reactive nitrogen at this site. Subsurface export predictions can now be obtained for wide ranges of recharge based on measurements of water table elevation and profiles of pore water chemistry.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Artificial neural networks estimate evapotranspiration for Miscanthus × giganteus as effectively as empirical model but with fewer inputs

Estimating actual evapotranspiration (ET) is particularly crucial for addressing how vegetation affects the water balance of ecosystems. ET estimation can be complex with empirical models due to their many parameters and reliance on aridity. In contrast, artificial neural networks (ANNs) could potentially estimate ET with fewer and more common meteorological parameters. In this study, we trained two ANNs, one using a feed-forward approach (FFN) and the other a nonlinear auto-regressive network (NARX), to predict ET and compared them to the commonly used empirical model Granger and Gray (GG). We trained our models on a nine-year eddy covariance (EC) dataset for Miscanthu s × giganteus ( M . × giganteus ) from Illinois (UIEF), then tested them using out-of-sample data from both UIEF and a different location in Iowa (SABR) to compare the accuracy of FFN, NARX, and GG models in estimating daily ET. A combination of air temperature (T a ) and solar radiation (R s ) was chosen as inputs due to the highest R 2 for FFN (R 2 = 0.79, 0.81, and 0.79 for training, testing, and validation, respectively) and only T a for NARX (R 2 = 0.70 for out-of-sample validation). The predictive power of the FFN model was superior to the NARX and GG models at the UIEF site (R 2 = 0.84, 0.70, and 0.83 for out-of-sample validation, respectively). Our analysis showed that ANN approaches are as accurate as empirical approaches for estimating ET but use fewer inputs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Life Cycle Assessment for Closed-Loop Pumped Hydropower Energy Storage in the United States

The federal government has initiated an aggressive set of policies to achieve a net-zero carbon emission goal for the electricity sector by 2050. As a result, rapid growth in deployment of renewable energy technologies is expected. Most commercially mature technologies are temporally variable and do not provide grid inertia, while renewable technologies with high projected deployment have intermittent generation methods. Energy storage technologies are needed to both dispatch power on-demand and help provide the needed grid inertia. Pumped storage hydro (PSH) is a well-established technology that has gained renewed interest in recent years offering energy-balancing, grid stability, control of electrical network frequency, and large-scale storage capacity. For widespread adoption of PSH, more information is needed regarding its current life cycle environmental impacts. The objective of this study is to perform a full life cycle assessment (LCA) of new closed-loop PSH in the U.S. The functional unit for this study is 1 kWh of electrical power delivered to the grid and the base case project lifetime is 80 years. The life cycle inventory for this project accounts for all material and energy flows associated with the green-field construction, operation, maintenance, and decommissioning of a closed-loop PSH plant in the U.S. Collected data represents a range of potential PSH specifications and geographic locations coming from all prospective closed-loop PSH installations in the U.S. with data available. In addition, existing PSH installations are used to provide assumptions for inventory inputs. Results presented will include the global warming potential (GWP IPCC 100a) and Energy Return on Investment (EROI) from our base case (average PSH installation) as well as from scenario analyses and model sensitivity. These results will be compared to the impacts from existing PSH sites and alternate storage technologies. Methods align with the assumptions and guidelines put in place by previous PSH LCAs to ensure an accurate comparison with the results from this report.

ENERGY PLANNING, POLICY, AND ECONOMY,HYDRO ENERGY↗

DOE OSTI2021

Economic Analysis of an Electric Thermal Energy Storage System Using Solid Particles for Grid Electricity Storage

As renewable power generation becomes the mainstream new-built energy source, energy storage will become an indispensable need to complement the uncertainty of renewable resources to firm the power supply. When phasing out fossil-fuel power plants to meet the carbon neutral utility target in the midcentury around the world, large capacity of energy storage will be needed to provide reliable grid power. The renewable power integration with storage can support future carbon-free utility and has several significant impacts including increasing the value of renewable generation to the grid, improving the peak-load response, and balancing the electricity supply and demand. Long-duration energy storage (10–100 hours duration) can potentially complement the reduction of fossil-fuel baseload generation that otherwise would risk grid security when a large portion of grid power comes from variable renewable sources. Current energy storage methods based on pumped storage hydropower or batteries have many limitations. Thermal energy storage (TES) has unique advantages in scale and siting flexibility to provide grid-scale storage capacity. A particle-based TES system has promising cost and performance for the future growing energy storage needs. This paper introduces the system and components required for the particle TES to be technically and economically competitive. A technoeconomic analysis based on preliminary component designs and performance shows that the particle TES integrated with an efficient air-Brayton combined cycle power system can provide power for several days by low-cost, high-performance storage cycles. It addresses grid storage needs by enabling large-scale grid integration of intermittent renewables like wind and solar, thereby increasing their grid value. The design specifications and cost estimations of major components in a commercial scale system are presented in this paper. The cost model provides insights for further development and cost comparison with competing technologies.

27 ARPA - Advanced Research Projects Agency-Energy↗

DOE OSTI2021

Economic Analysis of a Novel Thermal Energy Storage System Using Solid Particles for Grid Electricity Storage: Preprint

As renewable power generation becomes the mainstream new-built energy source, energy storage will become an indispensable need to complement the uncertainty of renewable resources to firm the power supply. When phasing out fossil-fuel power plants to meet the carbon neutral utility target in the midcentury around the world, large capacity of energy storage will be needed to provide reliable grid power. The integration of renewable power and storage to support future carbon-free utility has several significant and positive impacts including expanding the renewable generation into the grid, improving the peak-load response, and balancing the electricity supply and demand. Long-duration energy storage (10–100 hours duration) can potentially complement the reduction of fossil-fuel baseload generation that otherwise would risk grid security when a large portion of grid power comes from variable renewable sources. Current energy storage methods based on pumped storage hydropower or batteries have many limitations. Thermal energy storage (TES) has unique advantages in scale and siting flexibility to provide grid-scale storage capacity. A particle-based TES system has promising cost and performance for the future growing energy storage needs. This paper introduces the system and components required for the particle TES to be technically and economically competitive. A technoeconomic analysis based on preliminary component designs and performance shows that the particle TES integrated with an efficient air-Brayton combined cycle power system can provide power for several days by low-cost, high-performance storage cycles. It addresses grid storage needs by enabling large-scale grid integration of intermittent renewables like wind and solar, thereby increasing their grid value. The design specifications and cost estimations of major components in a commercial scale system are presented in this paper. The cost model provides insights for further development and cost comparison with competing technologies.

27 ARPA - Advanced Research Projects Agency-Energy↗

DOE OSTI2022

A gradient-based deep neural network model for simulating multiphase flow in porous media

We report simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment-related activities. The numerical simulators used for modeling such processes rely on spatial and temporal discretization of the governing mass and energy balance partial-differential equations (PDEs) into algebraic systems via finite-difference/volume/element methods. These simulators usually require dedicated software development and maintenance, and suffer low efficiency from a runtime and memory standpoint for problems with multi-scale heterogeneity, coupled-physics processes or fluids with complex phase behavior. Therefore, developing cost-effective, data-driven models can become a practical choice, and in this work, we choose deep learning approaches as they can handle high dimensional data and accurately predict state variables with strong nonlinearity. In this paper, we describe a gradient-based deep neural network (GDNN) constrained by the physics related to multiphase flow in porous media. We tackle the nonlinearity of flow in porous media induced by rock heterogeneity, fluid properties, and fluid-rock interactions by decomposing the nonlinear PDEs into a dictionary of elementary differential operators. We use a combination of operators to handle rock spatial heterogeneity and fluid flow by advection. Since the augmented differential operators are inherently related to the physics of fluid flow, we treat them as first principles prior knowledge to regularize the GDNN training. We use the example of pressure management at geologic CO 2 storage sites, where CO 2 is injected in saline aquifers and brine is produced, and apply GDNN to construct a predictive model that is trained with physics-based simulation data and emulates the physics process. We demonstrate that GDNN can effectively predict the nonlinear patterns of subsurface responses, including the temporal and spatial evolution of the pressure and saturation plumes. We also successfully extend the GDNN to convolutional neural network (CNN), namely gradient-based CNN (GCNN), and validate its capability to improve the prediction accuracy. GDNN has great potential to tackle challenging problems that are governed by highly nonlinear physics and enable the development of data-driven models with higher fidelity.

42 ENGINEERING↗

DOE OSTI2020

Design and Development of a Robotic Exoskeleton Device for use in Glove Boxes - 20374

Glovebox operators in nuclear facilities often operate under radioactive environment and typically perform monotonous, dull and repetitive work. This can result in muscle fatigue leading to increased levels of accidents. Current research work aims in assisting the glovebox operators by designing a novel upper limb exoskeleton device to reduce injuries and increase worker efficiency. Almost none of the commercially available hand and upper body exoskeletons are directly suitable for use in gloveboxes. This explains the novelty of the present work in developing a wearable powered robotic exoskeleton device. The device consists of electronics, motors and spring systems mounted on adjustable plates and is supported by a stationary frame behind the worker. The device is intended to be portable and adjustable according to the operator height. The elbow has a flexion movement assisted with motor control by way of a Bowden cable system. The system is floated on a spring and pulley combination that allows for extra safety and smoothness of operation. The end points are fixed near the pivot points to help minimize unwanted movement/torque. The extension movement of the upper and lower arm are assisted by gravity and a counter spring. The shoulder and upper arm movement are held in a neutral position with a spring system for counter balance allowing small movements within the glovebox. This initial concept considers only the vertical movement of the arm. The abduction and adduction movement will not be assisted or impeded by the over shoulder plate or at the forearm plate allowing for full range of motion. Several glovebox aspects such as the level of task assistance, ergonomic design, minimum hindrance in dexterity/operator movements and tear resistance for hazardous safety reasons will be considered in the design of the exoskeleton. Computer models will be simulated to test the load levels and stress conditions on the exoskeleton to enhance the designs. The exoskeleton focusses on major muscular involvement reduction through weight offset and active assistance with minimal parts and hence the device is derived with several joint links and contains both passive and active joints. The paper details the various stages in the design development and prototype testing of the exoskeleton device. Upon successful prototype device development, human testing will be conducted in a replica of the SRS-235F hot cell facility constructed at FIU-ARC. The final stage of the project will be potential testing/deployment of the exoskeleton device in one of the glovebox facilities in Savannah River Nuclear Waste site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics

Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.

adsorption↗

DOE OSTI2025

A novel approach to increase accuracy in remotely sensed evapotranspiration through basin water balance and flux tower constraints

Remote sensing-derived evapotranspiration (RSET) products capture the spatiotemporal variations of evapotranspiration (ET) from field to basin scales with unprecedented details. However, their accuracy varies across RSET estimation methods and diverse hydroclimate regions. While ET modeling efforts to account for biophysical processes and controlling parameters have made good progress in recent years, a parallel approach of integrating in-situ ET with RSET could reduce biases in RSET products. Basin water balance ET (WBET) and flux tower ET are widely applied to evaluate RSET accuracy, yet such ET measurements are rarely used for RSET bias corrections, especially for large area applications. To address this issue, we propose a novel approach: the water balance equivalence (WABE) method, which generates spatially continuous WBET for correcting biases in RSET products. The WABE method computes synthetic WBET by integrating observed WBET and flux tower-derived FLUXCOM ET, which fills the spatial gaps of observed WBET and generates a spatially continuous WBET dataset. Synthetic WBET (2002–2015 annual average) of eight-digit hydrologic unit code (HUC8) basins across the conterminous United States (CONUS), constituting 44 % (887 out of 2035 basins) of CONUS basins, was determined within 2.0 % (RMSE = 12 %) of observed WBET at CONUS and between 1–12 % (RMSE = 3–33 %) across 18 regions in CONUS. With WABE-based bias corrections, the overall annual bias of RSET decreased from 10 % (RMSE = 34 %) to 6 % (RMSE = 26 %) across 37 flux tower sites. The WABE method offers a new approach for RSET accuracy improvement and shows great promise for large area implementations with a potential to yield substantial benefits for building accurate basin water budgets and water management decisions.

Khand, Kul↗

NASA NTRS2018

The SMAP Level-4 ECO Project: Improving Terrestrial Flux Estimates Through Coupled Hydrology-Vegetation Data Assimilation

Simulations of hydrologic and vegetation states as well as water, energy and carbon fluxes from the land surface to the atmosphere are crucial for a wide range of applications, including agricultural advisories, forecasts of (short-term) atmospheric behavior and seasonal weather predictions including forecasts of extreme events, such as heatwaves or droughts. The NASA Soil Moisture Active Passive (SMAP) mission Level-4 Eco-Hydrology (L4-ECO) project aims to improve modeled estimates of the terrestrial water, energy and carbon fluxes and states by developing a fully-coupled hydrology-vegetation data assimilation system. This system is developed around the NASA Goddard Earth Observing System (GEOS) Catchment-CN land surface model, which combines land hydrology and energy balance components of the GEOS Catchment model with dynamic vegetation components of the Community Land Model version 4. Catchment-CN fully couples the terrestrial water, energy and carbon cycles, allowing feedbacks from the land hydrology to the biosphere and vice versa.Here, we implement a calibration of the Catchment-CN vegetation parameterization against observations of the fraction of absorbed photosynthetically active radiation (FPAR) from the Moderate Resolution Imaging Spectroradiometer (MODIS) to improve the model's standalone skill. Later, the DA algorithm used to produce the SMAP L4 soil moisture product will be adapted to Catchment-CN to assimilate SMAP brightness temperatures and inform the model's land hydrology component. Finally, the DA system will be further extended to assimilate MODIS FPAR observations in order to constrain the model's dynamic vegetation component.In this presentation, we demonstrate that the Catchment-CN parameter calibration leads to more realistic vegetation simulations and reduces the root mean squared error between modeled and observed vegetation states across the model's various plant functional types. We also show that the assimilation of SMAP observations is able to improve the average correlation, bias and unbiased RMSE between the modeled surface and root zone soil moisture estimates, and ground observations from the SMAP core validation sites.

Kolassa, Jana↗

DOE OSTI2021

Emission Inventories from Natural Gas Storage Facilities using Regional Frequency Comb Laser Monitoring and Aircraft Flyovers. Final Report

The project centers around a ground-based regional methane sensor developed by the CU/NIST team members under the DOE ARPA-E MONITOR program, and sophisticated aircraft measurement techniques developed by the UCD/Scientific Aviation team (responsible for a recent Science publication quantifying the Aliso Canyon storage field release). The dual frequency-comb spectrometer is an invisible, eye-safe laser capable of measuring atmospheric methane concentrations along beam paths 1+ miles in length with high precision and stability (<1 ppb methane over 1 mile). The CU/NIST team has developed a unique approach to using a single, central spectrometer to locate and size methane emissions as small as 6 scfh from specific gas field structures within the 1+ mile range of the laser. Deployment involves the stationing of small cubic mirrors at strategic locations across the gas storage site. The mirrors direct light from the spectrometer back to a detector, where methane concentrations are recorded based on light absorption at specific wavelengths. The measurements are coupled with high resolution gas transport models based on meteorological measurements (wind, etc.) to determine the precise location and emission rate of methane sources. The calibration-free and continuous nature of dual frequency-comb spectrometer measurements means that a large area can be monitored continuously for temporal variability of emissions over long periods of time. The aircraft measurements involve spiral flights around storage facilities with a sensitive ethane/methane measurement package. Upwind/downwind concentration comparisons and wind data provide total facility emissions data. During this project, a new micrometeorological package was integrated onto the Scientific Aviation aircraft to provide even greater emissions quantification capability. In this project, the ground-based measurement system was deployed for 11 months (to capture seasonal variability) at a West Coast storage facility, together with a campaign of twice monthly aircraft total facility emissions flights. The data from these two modalities was combined to quantify the methane emissions from the facility with first-of-its-kind temporal and spatial detail. Concurrent with this deployment, the aircraft team performed flights to quantify emissions at a wider array of previously un-surveyed storage sites. The ground-based measurement system was then moved to an additional site of differing total storage and delivery capacity. Aircraft mass balance flights continued, repeatedly surveying (twice monthly) this site, as well as surveying a large number of previously un-assessed sites spanning a variety of size, reservoir type and age. Assessment of ground-based, temporally and spatially detailed methane emissions information alongside aircraft-derived methane total facility emissions information led to an improved understanding of emissions, relevant for inventories of the natural gas storage sector. In particular, this work provided temporal detail (seasonal of emissions and frequency of leaks) to stakeholders and personnel responsible for updates to the EPA’s GHGI. The impact of the proposed work has been a dramatic improvement in the temporal, spatial, and site- and type- specific detail and quantification of emissions inventories for the natural gas storage sector. This work directly benefits the EPA’s GHGI, directly ameliorates the environmental impacts and public health and safety of the natural gas storage sector, and aids policymakers and industry to make sound choices with respect to management and regulation.

03 NATURAL GAS↗

DOE OSTI2023

Hybrid Solar System (Final Scientific/Technical Report)

GTI Energy (GTI) teamed with the University of California at Merced (UCM) to scaleup the hybrid solar system (HSS) technology for demonstrating its performance at the US Gypsum (USG) plant in Plaster City, California. The technology integrates two-stage concentrating solar collector with matching particle thermal transport and storage (TSS) system to deliver cost-effective, and on-demand distributed high temperature industrial process heat up to 600°C with solar thermal, in this case to a gypsum kettle, to reduce its fuel use and carbon footprint. Current solar technologies, which reach these temperatures, are not distributable (towers) or cost-effective (dish). The research team developed a conceptual system design for host site retrofit, including preliminary heat balance, process flow diagram, particle to process heat exchanger and equipment placements at the site. Subsequently, parallel efforts were carried out at UCM to design, build and test a 12 m long commercial scale prototype concentrating thermal-only collector system and at GTI to design, build and test a matching 650°C capable particle TTS system. The nominal 50 kWth collector consists of a parabolic trough and three 4 m long two-stage receivers in series. Prior to on-sun testing, a 4 m long receiver was fabricated and successfully tested at 650 °C in a laboratory setting for 100 hrs of continuous operation showing less than 15% radiation loss. A 7 m wide x 17 m long parabolic trough was then installed at UCM for on-sun testing of the 12 m long receiver, and concurrently several 4 m long receivers were built. The optics of the parabolic trough were calibrated, and on-sun test were carried out on 12 m long receivers. During tests, the intense solar radiation (53x) caused the absorber tubes in the receivers to bend, reducing the overall optical efficiency. To address the bending issue, a self-consistent algorithm that includes ray tracing, thermal and deformation models was developed to perform thermal stress analysis on absorbers for parabolic solar collectors. Results obtained with this algorithm showed a dramatic rise in deformation as absorber tube length increases. A combined efficiency parameter that includes the occluded area for the mounts was developed to obtain an optimized tube length obtained. Based on the results, a length of 2.7 m for the absorber + 0.2 m for the coupler was chosen to minimize any bending and optimize optical efficiency while maintaining ease of mounting. The associated particle TTS system was designed, built and successfully tested at GTI. It includes storage, receiving and lock hoppers and piping that simulates the transfer of captured solar energy to an actual industrial furnace. Tests over 77 charge-discharge cycles demonstrated <2% particle degradation, with no problematic particle accumulations and no flow interruptions. The piping pressure drop was about 5 psi. The team also worked with Stanley Consultants (Stanley) to prepare conceptual and preliminary engineering packages to facilitate follow-on development and commercialization efforts. These include process and instrumentation diagram’s (P&ID’s), general arrangements, electrical one-line, project definitions document, equipment data sheets, schedule, and construction cost estimate for 2 MWth system. Updated HSS technology commercialization and customer engagement plans and detailed costs and evaluated market trade-offs and manufacturing.

03 NATURAL GAS↗

DOE OSTI2025

Computational Design of Cost-Effective High-Entropy Thermal/Environmental Barrier Coatings

Developing cost-effective thermal/environmental barrier coatings (TEBC) requires balance among various properties including low thermal conductivity, matching coefficient of thermal expansion (CTE), high thermal stability, high fracture toughness, and high recession resistance while being affordable. Low oxygen diffusivity is desirable as it can slow down oxygen transport to reach the underlying bond coating and hence delay oxidation of the bond coating. This project aims to design low-cost high-performance TEBC based on high entropy rare earth disilicates to protect SiC-based ceramic matrix composites from chemical and thermal attack for better performance of components in the hot section of gas turbine engines. To accelerate the TEBC design, we utilize first-principles density functional theory to predict key properties including phase stability, CTE, lattice thermal conductivity, temperature-dependent elastic constants, and oxygen diffusivity. Alloying elements including Yb, Y, Er, Eu, Gd, Lu, La, and Ce are considered, and modeling prediction are compared with available experimental results.

coefficient of thermal expansion↗

NASA NTRS2021

Cutting out the Middleman: Calibrating and Validating a Dynamic Vegetation Model (ED2-PROSPECT5) Using Remotely Sensed Surface Reflectance

Canopy radiative transfer is the primary mechanism by which models relate vegetation composition and state to the surface energy balance, which is important to light- and temperature-sensitive plant processes as well as understanding land–atmosphere feedbacks. In addition, certain parameters (e.g., specific leaf area, SLA) that have an outsized influence on vegetation model behavior can be constrained by observations of shortwave reflectance, thus reducing model predictive uncertainty. Importantly, calibrating against radiative transfer outputs allows models to directly use remote sensing reflectance products without relying on highly derived products (such as MODIS leaf area index) whose assumptions may be incompatible with the target vegetation model and whose uncertainties are usually not well quantified. Here, we created the EDR model by coupling the two-stream representation of canopy radiative transfer in the Ecosystem Demography model version 2 (ED2) with a leaf radiative transfer model (PROSPECT-5) and a simple soil reflectance model to predict full-range, high-spectral-resolution surface reflectance that is dependent on the underlying ED2 model state. We then calibrated this model against estimates of hemispherical reflectance (corrected for directional effects) from the NASA Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and survey data from 54 temperate forest plots in the northeastern United States. The calibration significantly reduced uncertainty in model parameters related to leaf biochemistry and morphology and canopy structure for five plant functional types. Using a single common set of parameters across all sites, the calibrated model was able to accurately reproduce surface reflectance for sites with highly varied forest composition and structure. However, the calibrated model's predictions of leaf area index (LAI) were less robust, capturing only 46 % of the variability in the observations. Comparing the ED2 radiative transfer model with another two-stream soil–leaf–canopy radiative transfer model commonly used in remote sensing studies (PRO4SAIL) illustrated structural errors in the ED2 representation of direct radiation backscatter that resulted in systematic underestimation of reflectance. In addition, we also highlight that, to directly compare with a two-stream radiative transfer model like EDR, we had to perform an additional processing step to convert the directional reflectance estimates of AVIRIS to hemispherical reflectance (also known as “albedo”). In future work, we recommend that vegetation models add the capability to predict directional reflectance, to allow them to more directly assimilate a wide range of airborne and satellite reflectance products. We ultimately conclude that despite these challenges, using dynamic vegetation models to predict surface reflectance is a promising avenue for model calibration and validation using remote sensing data.

Alexey N Shiklomanov↗