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Development of Radiative Transfer Models and Retrieval Algorithms for Satellite Remote Sensors

Hyperspectral IR sounders such as AIRS on Aqua, CrIS on S-NPP, NOAA20 and JPSS-2, IASI on Metop A, B, and C provide high-quality atmospheric temperature, water, vapor, and greenhouse gas vertical profiles. Additionally, they provide atmospheric cloud properties, surface emissivity, and surface skin temperatures. We have developed two algorithms which can consistently derive these products from multiple IR sounders. The first one is a Single Field-of-view Sounder Atmospheric Product (SIFSAP) algorithm and the second one is a Climate Fingerprinting Sounder Product (ClimFiSP) algorithm. The SiFSAP algorithm performs one retrieval for each FOV using an all-sky optimal estimation approach. The core of the SiFSAP algorithm is an accurate and fast Principal Component-based Radiative Transfer Model (PCRTM), which can calculate hyperspectral radiance spectra under both clear and cloudy conditions. The PCRTM was developed in the past decade using consistent reference line-by-line radiative transfer model and spectroscopy for hyperspectral sounders such as AIRS, CrIS, IASI, NAST-I, and S-HIS. The ClimFiSP algorithm, which performs retrievals from spatiotemporally averaged L1 hyperspectral radiances directly, will be orders of magnitude faster than traditional method. he ClimFiSP algorithm uses consistent radiative kernels and a robust spectral fingerprinting method. It provides accurate data climate data fusion products from multiple satellite sensors. Both SiFSAP and ClimFiSP will be available at NASA GES DISC data center for public access.

Xu Liu↗

DOE OSTI2022

Performance Evaluation of Distributed Energy Resource Management Algorithm in Large Distribution Networks

This paper presents performance evaluation of hierarchical optimization and control for distributed energy resource management system (DERMS) in large distribution networks via an advanced hardware-in-the-loop (HIL) platform. The HIL platform provides realistic testing in a laboratory envi-ronment, including the accurate modeling of a full-scale dis-tribution system of 11,000 nodes, the DERMS software con-troller, and 90 power hardware photovoltaics (PVs) and bat-tery inverters. The applied DERMS algorithm is designed based on a real-time optimal power flow algorithm and im-plemented with acceleration design that performs fast dis-patch of simulated PVs and real physical hardware DER devices every 4 seconds.

distributed energy management system (DERMS)↗

DOE OSTI2021

Multiobjective Dynamic Optimization for Optimal Load-Following of Natural Gas Combined Cycle Power Plants under Stress Constraints

With the increasing penetration of intermittent renewable energy sources into the electric grid, there is an associated need for conventional thermal power plants that are designed to operate at base-load conditions to cycle their load rapidly and frequently and operate under low-load conditions. Fast load-following operations lead to plant efficiency loss and the reduction of equipment life. A high-fidelity dynamic model of a natural gas combined cycle power plant, with rigorous equipment level submodels, is developed to capture the plant transient performance and the thermomechanical stress evolution at the high-pressure drum is computed to assess the drum life consumption. Stress evolution is modeled for the location of the edge at the drum/downcomer junction that experiences high circumferential stress amplitude during the fast load-following operation, leading to higher fatigue damage than locations considered under existing design standards. A dynamic optimization problem is solved for optimal load-following operation. Depending on the value of the stress constraint and the desired ramp rate, satisfying the desired stress constraint may be infeasible without relaxing the ramp rate. A multiobjective dynamic optimization problem is solved using a lexicographic approach that minimizes ramp rate relaxation and maximizes efficiency while satisfying stress constraints, avoiding spraying to saturation, and maintaining main steam and reheat steam temperature within bounds. It was observed that the optimal ramp rate can be highly nonlinear as opposed to the industry-standard linear ramp rate. Nonlinear optimal ramp-rate profiles not only help to avoid stress constraints that may be unavoidable by using the linear profile but also result in higher efficiency than the linear profile. Furthermore, the study shows that there is a strong tradeoff between the relaxation in the plant ramp rate and the time-average thermal efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Exploring Multidimensional Spatial-Temporal Hydropower Operational Flexibilities by Modeling and Optimizing Water-Constrained Cascading Hydroelectric Systems

Because of unique characteristics such as clean and cost-competitive electricity as well as fast-ramping and storage abilities, the power industry continues to evolve its operation strategies for cascading hydroelectric (CHE) systems for providing enhanced values to the grid, especially under the deeper renewable resource integration. However, existing operation practices of CHEs predate the integration of renewables, which could prohibit the effective utilization of their inherent flexibilities in delivering maximum financial benefits and providing valuable grid services to the power system and electricity market operations. Indeed, modeling and optimizing these resource-limited while flexible CHE assets with uncertainties and imperfect information across multiple spatial-temporal dimensions present significant challenges. To facilitate CHE facility operators in effectively coordinating water usage and hydropower plant operations across multiple timescales, this project aims to fill the existing gaps by developing a suite of accurate water inflow (WI) forecast models as well as enhanced CHE modeling and optimization approaches with proper consideration of their unique characteristics, which would help explore their multidimensional spatial-temporal operational flexibility potentials. The developed approaches could better align reservoir operation strategies with variability and uncertainty of future water availability. They can also promote more effective utilization of multidimensional spatial-temporal hydropower operational flexibility potentials by designing long-term evacuation plans of reservoirs and short-term operation of CHEs, along with their coordination with other types of renewables. The project leverages various resources to facilitate the research and development activities, including actual characteristics data of CHE systems and a library of current and future cases of Portland General Electric (PGE). These realistic data enable the project team to study how to maximize the value of CHEs under current and future portfolios and evaluate opportunities to improve operation practices.

13 HYDRO ENERGY↗

DOE OSTI2021

Pigment modulation in response to irradiance intensity in the fast-growing alga Picochlorum celeri

Picochlorum celeri has among the fastest photoautotrophic growth rates (~2 h doubling time in optimal conditions) reported to date for a marine alga. This study comprehensively analyzes the levels of Picochlorum celeri photosynthetic pigments, which can reach up to ~13% of the total particulate organic carbon (POC) under light-limiting conditions. The main Picochlorum celeri pigments identified include: chlorophyll a, chlorophyll b, lutein, β-carotene, canthaxanthin, violaxanthin, neoxanthin, zeaxanthin and antheraxanthin. The ketocarotenoid canthaxanthin can accumulate up to 120 mg L -1 in Picochlorum celeri liquid culture; ~12% of it was found in an extracellular polysaccharide matrix. Using a solar-simulating automated photobioreactor, we monitor the photoacclimation of cultures maintained in unshaded conditions (<0.5 μg mL -1 of total chlorophyll) through transitions from high irradiance (1000 μmoles photosynthetically active radiation (PAR) m -2 s -1 ) to low irradiance (60 μmoles PAR m -2 s -1 ), and conversely from low to high irradiance. Canthaxanthin and zeaxanthin accumulation are among the most rapid modulation responses when cultures are shifted from low to high irradiance. The violaxanthin, antherazanthin, and zeaxanthin (VAZ) pool is ~3-fold higher in high-light cultures, suggesting that the VAZ cycle combined with a dramatic reduction in chlorophyll levels are among the major mechanisms used in Picochlorum celeri to efficiently acclimate to high-irradiance levels. Responsive pigment modulation was also observed in denser cultures (~0.65 g L –1 ) grown under a diel cycle (pond-mimicking conditions). Furthermore, this research provides unique insights into the dynamics of pigment modulation and photoacclimation in response to changing irradiance in a biotechnologically promising alga and will inform future pigment engineering strategies to further improve light capture and biomass accumulation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Electrically Conductive Amine Functionalized Reduced Graphite Oxide Foam for CO 2 Removal from the Air

Rapid regeneration of CO 2 adsorbents is critical to improving the productivity of direct air capture (DAC) systems. In this study, we codesigned a material to have appropriate electrical conductivity and CO 2 adsorption properties to enable efficient CO 2 capture from air. Specifically, we present a poly(ethylenimine) (PEI)-impregnated thermally annealed graphite oxide (TAGO900) foam adsorbent tailored for vacuum-assisted electrically driven thermal swing adsorption (V-ETSA). This structured adsorbent leverages the high electrical conductivity of the reduced graphite oxide framework to enable fast and direct heating of the adsorbent material by electrical resistance heating (Joule heating). An optimal sample, 40 wt % PEI (molecular weight 25k) impregnated TAGO900, shows the best balance between adsorption capacity (1.54 mmol g –1 ) and adsorption rates (0.016 mmol g –1 min –1 ) using fixed bed breakthrough experiments at 25 °C and 70% RH using 50 sccm 400 ppm of CO 2 /N 2 flow. Compared to conventional temperature vacuum swing adsorption (TVSA), the V-ETSA approach achieves substantially faster CO 2 desorption, achieving average desorption rates (including cooling time) of 0.09 mmol g –1 min –1 ─approximately 2.5 times faster than TVSA under similar operating conditions. The maximum desorption rate reaches 0.23 mmol/g/min during the desorption stage. These results underscore the importance of the direct heating strategy, such as Joule heating, for fast and highly productive vacuum swing adsorption in DAC systems.

amines↗

NASA NTRS2021

A Rapid Method for Orbital Coverage Statistics with J2 Using Ergodic Theory

Quantifying long-term statistical properties of satellite trajectories typically entails time-consuming trajectory propagation. We present a fast, ergodic1 method of an- alytically estimating these for J2− perturbed elliptical orbits, broadly agreeing with trajectory propagation-based values. We extend the approach in Graven and Lo (2019)2 to estimate: (1) Satellite-ground station coverage with limited satellite field of view and ground station elevation angle with numerically optimized for- mulae, and (2) long-term averages of general functions of satellite position. This method is fast enough to facilitate real-time, interactive tools for satellite constel- lation and network design, with an approximate 1000× GPU speedup.

Lo, Martin W↗

DOE OSTI2024

Optimizing the Weather Research and Forecasting Model with OpenMP Offload and Codee

Currently, the Weather Research and Forecasting model (WRF) utilizes shared memory (OpenMP) and distributed memory (MPI) parallelisms. To take advantage of GPU resources on the Perlmutter supercomputer at NERSC, we port parts of the computationally expensive routine Fast Spectral Bin Microphysics (FSBM) to NVIDIA GPUs using OpenMP device offloading directives. To facilitate this process, we explore a workflow for optimization which uses both runtime profilers and a static code inspection tool Codee to refactor the subroutine. We observe an 2.24x overall speedup for the CONUS-12km storm test case.

Wichitrnithed, Chayanon (Namo) [Odin Institute]↗

DOE OSTI2024

Multi-Period Optimization of Multi-Timescale Energy Systems: Application to Solid-Oxide Electrolysis Cells

A presentation detailing the recent progress in the optimization of Solid-Oxide Cells under Chemical Degradation. The existing methods typically involve a quasi-steady state assumption to make this large-scale problem tractable. Here, we introduce an extension to this method that allows for adaptive coupling of degradation with the fast-timescale process based on a variety of error thresholds. This reduces the error accumulated during long-term optimization of the SOC under degradation and allows for decision making at multiple timescales. The results presented include long-term operating profiles of the SOC under degradation with both steady-state and fluctuating day to day operation.

Giridhar, Nishant↗

DOE OSTI2021

Real-time Optimal Dispatch of Behind-the-Meter DERs for Secondary Frequency Regulation

Active distribution networks (ADNs) can provide grid services such as peak load shaving, loss reduction, VoltNar control, congestion management, and frequency regulation. The fast response of inverter-based distributed energy resources (DERs) and battery storage systems enables them to provide ramping support and frequency control. This paper proposes a real-time optimization approach for behind-the-meter DERs to participate in the secondary frequency regulation. The proposed approach determines optimal set-points of output power of DERs to respond to requests from system operators (SOs) in realtime to maintain the frequency of the system at the nominal value. To satisfy the real-time requirement for the secondary frequency control, the nonlinear AC power flow model is linearized considering power losses in the system to achieve both high computational speed and acceptable accuracy. The optimization problem is rerun in a closed loop manner until the mismatch between the requested power by the system operators and actual delivered power at the substation reaches an acceptable tolerance. Furthermore, the proposed approach is validated using modified versions of the IEEE 33-bus and IEEE 69-bus distribution systems. Although the contribution of a single distribution system in the frequency regulation may not be significant, stacked and coordinated contributions from several distribution systems can provide frequency regulation and other grid services at scale.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1989

Fundamental results from microgravity cell experiments with possible commericial applications

Some of the major milestones are presented for studies in cell biology that were conducted by the Soviet Union and the United States in the upper layers of the atmosphere and in outer space for more than thirty-five years. The goals have changed as new knowledge is acquired and the priorities for the use of microgravity have shifted toward basic research and commercial applications. Certain details concerning the impact of microgravity on cell systems is presented. However, it needs to be emphasized that in planning and conducting microgravity experiments, there are some important prerequisites not normally taken into account. Apart from the required background knowledge of previous microgravity and ground-based experiments, the investigator should have the understanding of the hardware as a physical unit, the complete knowledge of its operation, the range of its capabilities and the anticipation of problems that may occur. Moreover, if the production of commercial products in space is to be manifested, data obtained from previous microgravity experiments must be used to optimize the design of flight hardware.

Winget, Charles M.↗

DOE OSTI2021

Progress on Optimizing Wind Farms and Rotor Designs Using Adjoints

Modern wind plants are increasingly tasked with multiple performance objectives. In addition to designing plants that maximize power output and minimize the levelized cost of energy (LCOE), the design and operation of wind plants is increasingly influenced by challenges regarding grid integration of variable generation renewables. This places a growing emphasis on making wind plants more controllable and predictable. WindSE is a Reynolds-averaged Navier-Stokes (RANS) model designed around analytical gradient and adjoint methods, with the ability to capture terrain-induced effects, as shown in Figure 1. The recent addition of an unsteady solver with an actuator line method (ALM) and ongoing work to enable massively parallel optimizations gives it a unique niche to explore coupled plant-level controls and design problems. This code is an open source python package built on the FEniCS framework that utilizes fast, parallel PETSc solvers to model fluid flow throughout wind-farm scale domains. Two recent studies performed using WindSE demonstrate the capability to optimize under a wide variety of flow conditions and objective functions. In the first, we present an optimization focused on modifying the layout of a wind farm with a fixed number of turbines for maximum total power output [1]. This study highlights the ability to quickly perform simulations using the steady Navier-Stokes solver combined with rotors represented as actuator disks while also stressing the importance of capturing terrain-induced effects. Gradient-based optimization using the RANS equations is viable due to the inclusion of efficiently computed adjoint derivatives. We interpret the physical results of the optimal layout and also discuss the computational cost of scaling to larger problems. In the second study, we present the capabilities of the unsteady Navier-Stokes solver, where rotor-blade profiles represented by actuator lines are optimized to enhance wake steering effects and overall power production [2]. We quantify the wind plant performance gains obtained from this type of simultaneous control co-design optimization as compared to optimizing the blade design and yaw independently. Figure 2 shows the differences between a baseline two-turbine system and an optimized system where we fine-tune the blade chord profile. Results and challenges from each study are quickly summarized and used to motivate the current development efforts within WindSE. Current and future work is focused on enabling higher-resolution studies with more degrees of freedom through parallelization of both the simulation and optimization algorithms. We present benchmarking results to show that WindSE performs well in both weak- and strong-scaling tests and further demonstrate that the optimizer obtains the same convergence rates in both shared- and distributed-memory environments. Using larger wind farms, we can study deep-array effects within an optimization context, allowing the use of objective functions that have been previously unstudied. As an example, we present ongoing work on a blockage metric which characterizes the loss of available kinetic energy due to wake effects from multiple upstream turbines.

adjoint optimization↗

NASA NTRS1984

Overview: Applications of numerical optimization methods to helicopter design problems

There are a number of helicopter design problems that are well suited to applications of numerical design optimization techniques. Adequate implementation of this technology will provide high pay-offs. There are a number of numerical optimization programs available, and there are many excellent response/performance analysis programs developed or being developed. But integration of these programs in a form that is usable in the design phase should be recognized as important. It is also necessary to attract the attention of engineers engaged in the development of analysis capabilities and to make them aware that analysis capabilities are much more powerful if integrated into design oriented codes. Frequently, the shortcoming of analysis capabilities are revealed by coupling them with an optimization code. Most of the published work has addressed problems in preliminary system design, rotor system/blade design or airframe design. Very few published results were found in acoustics, aerodynamics and control system design. Currently major efforts are focused on vibration reduction, and aerodynamics/acoustics applications appear to be growing fast. The development of a computer program system to integrate the multiple disciplines required in helicopter design with numerical optimization technique is needed. Activities in Britain, Germany and Poland are identified, but no published results from France, Italy, the USSR or Japan were found.

Miura, H.↗

DOE OSTI2022

Thick filament activation is different in fast- and slow-twitch skeletal muscle

The contractile properties of fast-twitch and slow-twitch skeletal muscles are primarily determined by the myosin isoform content and modulated by a variety of sarcomere proteins. X-ray diffraction studies of regulatory mechanisms in muscle contraction have focused predominately on fast- or mixed-fibre muscle with slow muscle being much less studied. Here, we used time-resolved X-ray diffraction to investigate the dynamic behaviour of the myofilament proteins in relatively pure slow-twitch-fibre rat soleus (SOL) and pure fast-twitch-fibre rat extensor digitorum longus (EDL) muscle during twitch and tetanic contractions at optimal length. During twitch contractions the diffraction signatures indicating a transition in the myosin heads from ordered OFF states, where heads are held close to the thick filament backbone, to disordered ON states, where heads are free to bind to thin filaments, were found in EDL and not in SOL muscle. During tetanic contraction, changes in the disposition of myosin heads as active tension develops is a quasi-stepwise process in EDL muscle whereas in SOL muscle this relationship appears to be linear. The observed reduced extensibility of the thick filaments in SOL muscle as compared to EDL muscles indicates a molecular basis for this behaviour. These data indicate that for the EDL, thick filament activation is a cooperative strain-induced mechano-sensing mechanism, whereas for the SOL, thick filament activation has a more graded response. Further, these different approaches to thick filament regulation in fast- and slow-twitch muscles may be adaptations for short-duration, strong contractions versus sustained, finely controlled contractions, respectively.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Development of a Fast-Spectrum Self-Powered Neutron Detector for Molten Salt Experiments in the Versatile Test Reactor

Abstract—The self-powered neutron detector (SPND) is a widely used flux monitor in thermal nuclear reactors. Although this is a mature technology, the current state of the art is tuned for a thermal neutron spectrum, so many of the devices currently in use lack sensitivity to fast neutrons. Because current in SPNDs is produced through nuclear reactions with the neutron flux inside a reactor, sensitivity in SPNDs is determined by the neutron cross section of the neutron-sensitive portion of the detector, termed the emitter. This neutron cross section drops by orders of magnitude between thermal and fast neutron energies for many emitters in currently used SPNDs, with a corresponding drop in current from the detector. This paper discusses efforts to develop a fast-spectrum self-powered neutron detector (FS-SPND) that is sensitive to neutrons with energies ranging from 0.025 eV up to 1 MeV. An in-depth analysis of Evaluated Nuclear Data File (ENDF)/B-VII.1 neutron-capture cross sections was performed, and four new materials were identified that are suitable emitter candidates for use in measuring fast neutrons. All four materials are stable mid-shell nuclei in the region between doubly magic 132Sn and 208Pb. Each candidate was simulated with the Geant4 Monte Carlo simulation toolkit to optimize overall detector efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Accelerating computational fluid dynamics simulation of post-combustion carbon capture modeling with MeshGraphNets

Packed columns are commonly used in post-combustion processes to capture CO 2 emissions by providing enhanced contact area between a CO 2 -laden gas and CO 2 -absorbing solvent. To study and optimize solvent-based post-combustion carbon capture systems (CCSs), computational fluid dynamics (CFD) can be used to model the liquid–gas countercurrent flow hydrodynamics in these columns and derive key determinants of CO 2 -capture efficiency. However, the large design space of these systems hinders the application of CFD for design optimization due to its high computational cost. In contrast, data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. We build our surrogates using MeshGraphNets (MGN), a graph neural network framework that efficiently learns and produces mesh-based simulations. We apply MGN to a random packed column modeled with over 160K graph nodes and a design space consisting of three key input parameters: solvent surface tension, inlet velocity, and contact angle. Our models can adapt to a wide range of these parameters and accurately predict the complex interactions within the system at rates over 1700 times faster than CFD, affirming its practicality in downstream design optimization tasks. This underscores the robustness and versatility of MGN in modeling complex fluid dynamics for large-scale CCS analyses.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2011

Dual Electron Spectrometer for Magnetospheric Multiscale Mission: Results of the Comprehensive Tests of the Engineering Test Unit

The Magnetospheric Multiscale mission (MMS) is designed to study fundamental phenomena in space plasma physics such as a magnetic reconnection. The mission consists of four spacecraft, equipped with identical scientific payloads, allowing for the first measurements of fast dynamics in the critical electron diffusion region where magnetic reconnection occurs and charged particles are demagnetized. The MMS orbit is optimized to ensure the spacecraft spend extended periods of time in locations where reconnection is known to occur: at the dayside magnetopause and in the magnetotail. In order to resolve fine structures of the three dimensional electron distributions in the diffusion region (reconnection site), the Fast Plasma Investigation's (FPI) Dual Electron Spectrometer (DES) is designed to measure three dimensional electron velocity distributions with an extremely high time resolution of 30 ms. In order to achieve this unprecedented sampling rate, four dual spectrometers, each sampling 180 x 45 degree sections of the sky, are installed on each spacecraft. We present results of the comprehensive tests performed on the DES Engineering & Test Unit (ETU). This includes main parameters of the spectrometer such as energy resolution, angular acceptance, and geometric factor along with their variations over the 16 pixels spanning the 180-degree tophat Electro Static Analyzer (ESA) field of view and over the energy of the test beam. A newly developed method for precisely defining the operational space of the instrument is presented as well. This allows optimization of the trade-off between pixel to pixel crosstalk and uniformity of the main spectrometer parameters.

Avanov, Levon A.↗

DOE OSTI2022

Tailoring solid-electrolyte interphase and solvation structure for subzero temperature, fast-charging, and long-cycle-life sodium-ion batteries

The sluggish Na + reaction kinetics with carbon materials limits the fast-charging capability, Coulombic efficiency, and cycle life of sodium-ion batteries, especially at low temperatures. Herein, free-standing carbon nanofiber films, with controllable crystallinity and surface chemistry, are used as a platform to investigate the correlation between Na + reaction kinetics, storage mechanism, and electrolyte environment. The ion solvation effect and solid-electrolyte interphase (SEI) properties determine the kinetics and storage mechanism. A strong Na + -solvent interaction, such as Na + -diglyme, tends to form a "pseudo-SEI" layer dominated by anion decomposition, enabling fast Na + -solvent co-intercalation kinetics. Tuning the SEI chemistries by pre-cycling in the weakly solvated electrolyte (e.g., ester electrolyte), the intercalation capacity rapidly disappears due to the high energy barrier for Na + transport. Finally, such mechanistic insights allow us to develop the optimal combination of electrode materials and electrolyte chemistry to achieve high initial Coulombic efficiency, ultra-long cycle life under fast charging, and excellent low-temperature performance.

25 ENERGY STORAGE↗