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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Optimization and Experimental Validation of Annular Finned PCM-HX for a Domestic Hot Water Heater Application

The load profile for domestic water heating is time-dependent and can result in high energy demand during peak operating times. Shifting this peak load can have significant environmental and economic impacts. Phase change material (PCM)-based thermal energy storage (TES) is a potentially useful technology for peak load shifting in domestic hot water (DHW) applications thanks to its high latent heat and energy density. In this study, an annular finned-tube PCM-HX design concept was optimized for a load-shifting TES unit to meet the Department of Energy standard for a medium-usage DHW heater using a resistance-capacitance model (RCM) integrated with a Multi-Objective Genetic Algorithm. The optimized design comprised 70 identical annular finned-tube PCM-HX units connected in parallel and utilizing RT62HC as the PCM. A single PCM-HX unit was prototyped and tested in a vertically oriented setup with upward heat transfer fluid (HTF) flow. The hot water supply time was defined based on a cutoff temperature of 51.7°C. The as-designed mass flow rate (1.5 g/s) was tested to assess the performance of the prototyped PCM-HX unit for RCM validation. For the experimental investigation, RTD sensor bundles measured HTF temperature at the PCM-HX inlet and outlet, and a Coriolis flow meter accurately measured the HTF mass flow rate. The simulated discharging power underpredicted the experimental result by about 12%, and the simulated hot water supply time underpredicted the experimental result by approximately 13% for the as-designed mass flow rate (1.5 g/s). The average deviation of the hot water supply temperature between the experimental and RCM results during the complete PCM solidification process was 1.3 K for the as-designed mass flow rate. The overall good agreement between the experimental and RCM results provides confidence that computationally efficient models such as RCM can be utilized for design optimization of PCM-HXs.

42 ENGINEERING↗
NASA NTRS2023

Hemispheric Asymmetry of the Annual and Semiannual Variation of Thermospheric Composition

We examine hemispheric asymmetry of the annual and semiannual variation of the ratio of O and N 2 concentrations ( O/N 2 ) using observations by the Global Ultraviolet Imager (GUVI) instrument onboard the Thermosphere Ionosphere Mesosphere Energetics and Dynamics satellite and compare them with Whole Atmosphere Community Climate Model with thermosphere-ionosphere eXtension (WACCM-X) model simulations. We found that in the equatorial region, the “equinox peaks” of the observed O/N 2 are near the end of March and October, and the two annual lows are near the beginning of July and January. Compared to the equatorial region, in the northern hemisphere (NH) low latitudes, the first “equinox peak” clearly shifts toward the December solstice, whereas in the southern hemisphere (SH) low latitudes, the “equinox peaks” shift toward the June solstice (JS), forming the hemispheric asymmetry characteristics of the annual and semiannual variation. Seasonal variation of O/N 2 shows no apparent phase variation with altitude, and the annual and semiannual pattern is consistent from year to year. WACCM-X reproduces the observed annual and semiannual pattern in NH but in SH, it simulates an annual variation instead of the observed annual and semiannual variation. The largest discrepancy occurs near JS in the lower and middle thermosphere: the simulated O density has an annual high near JS in SH; the simulated N 2 density has an annual high near JS in NH but a predominant annual low near JS in SH. These are not in the GUVI data. A weaker thermospheric meridional circulation in the winter hemisphere, or a reduced summer-to-winter latitudinal gradient of neutral temperature in WACCM-X simulations would make model-data comparisons more consistent.

thermosphere composition↗
NASA NTRS1949

Altitude Performance and Operational Characteristics of 29-inch-diameter Tail-pipe Burner with Several Fuel Systems and Flame Holders on J35 Turbojet Engine

An investigation of turbojet-engine thrust augmentation by means of tail-pipe burning has been conducted in the NACA Lewis altitude wind tunnel. Several fuel systems and flame holders were investigated in a 29-inch-diameter tail-pipe burner to determine the effect of fuel distribution and flame-holder design on tail-pipe-burner performance and operational characteristics over a range of simulated flight conditions. At an altitude of 5000 feet, the type of flame holder used had only a slight effect on the combustion efficiency. As the altitude was increased, the decrease in peak combustion efficiency became more rapid as the blocking area of the flame holder was reduced. At all altitudes investigated, an improvement in the uniformity of the radial distribution of fuel and air slightly increased the peak combustion efficiencies and shifted the peak combustion efficiency to higher tail-pipe fuel-air ratios. The use of an internal cooling liner extending the full length of the tail-pipe combustion chamber provided adequate shell cooling at all flight conditions investigated.

Conrad, E William↗
NASA NTRS1996

Trace Element Zoning and Incipient Metamictization in a Lunar Zircon: Application of Three Microprobe Techniques

We have determined major (Si, Zr, Hf), minor (Al, Y, Fe, P), and trace element (Ca, Sc, Ti, Ba, REE, Th, U) concentrations and Raman spectra of a zoned, 200 microns zircon grain in lunar sample 14161,7069, a quartz monzodiorite breccia collected at the Apollo 14 site. Analyses were obtained on a thin section in situ with an ion microprobe, an electron microprobe, and a laser Raman microprobe. The zircon grain is optically zoned in birefringence, a reflection of variable (incomplete) metamictization resulting from zo- nation in U and Th concentrations. Variations in the concentrations of U and Th correlate strongly with those of other high-field-strength trace elements and with changes in Raman spectral parameters. Concentrations of U and Th range from 21 to 55 ppm and 6 to 31 ppm, respectively, and correlate with lower Raman peak intensities, wider Raman peaks, and shifted Si-O peak positions. Concentrations of heavy rare earth elements range over a factor of three to four and correlate with intensities of fluorescence peaks. Correlated variations in trace element concentrations reflect the original magmatic differentiation of the parental melt approx. 4 b.y. ago. Degradation of the zircon structure, as reflected by the observed Raman spectral parameters, has occurred in this sample over a range of alpha-decay event dose from approx. 5.2 x 10(exp 14) to 1.4 x 10(exp 15) decay events per milligram of zircon, as calculated from the U and Th concentrations. This dose is well below the approx. 10(exp 16) events per milligram cumulative dose that causes complete metamictization and indicates that laser Raman microprobe spectroscopy is an analytical technique that is very sensitive to the radiation-induced damage in zircon.

Wopenka, Brigitte↗
DOE OSTI2026

Watershed response of the Feather River Basin, California, United States of America to future climate changes

Increasing mean annual temperatures under climate change are expected to reduce seasonal snowpack, increase evapotranspiration (ET), and alter summer baseflow in headwater watersheds worldwide. Strong regional variability in hydrologic responses highlights the need for catchment-scale, physically based models to assess future flood risk and water availability. This study examines climate-driven changes in the hydrologic response of the Upper Feather River watershed in the Sierra Nevada Mountains, California. Four priority climate models and two representative concentration pathways (RCP4.5 and RCP8.5) are used to evaluate future hydrologic responses of the watershed. Hydrologic processes are simulated using an objectively calibrated Soil and Water Assessment Tool Plus model for a historical baseline (1986–2005) and a future period 2070–2099), driven by observed and projected precipitation and temperature. Results indicate a declining contribution of snowfall to annual precipitation, with peak snowfall and water yield shifting 1–3 months earlier. Long-term annual maximum flows are projected to increase considerably, whereas low-flow responses are mixed, with both increases and decreases projected by the end of the century. These findings highlight the need for adaptive watershed management to enhance flood protection, water storage, and drought resilience. Future water resource planning should also account for one-to-three-month shifts in peak water yield and surface runoff due to changes in snowmelt timing and a lower snowfall-to-rainfall ratio under climate change. The modeling framework and insights are transferable to other snow-dominated headwater watersheds experiencing climate-driven change.

Tigabu, T [UC Davis]↗
NASA NTRS2001

A Decade in the Life of EXO 2030+375: A Multiwavelength Study of an Accreting X-ray Pulsar

Using BATSE and RXTE observations from 1991 April to 2001 August we have detected 71 outbursts from 82 periastron passages of EXO 2030+375, a 42-second transient X-ray pulsar with a Be star companion, including several outbursts from 1993 August to 1996 April when the source was previously believed to be quiescent. Combining BATSE, RXTE, and EXOSAT data we have derived an improved orbital solution. Applying this solution results in a smooth profile for the spin-up rate during the giant outbursts and results in evidence for a correlation between the spin-up rate and observed flux in the brighter BATSE outbursts. Infrared and H(alpha) measurements show a decline in the density of the circumstellar disk around the Be star. This decline is followed by a sudden drop in the X-ray flux and a turn-over from a spin-up trend to spin-down in the frequency history. This is the first Be/X-ray binary which shows an extended interval, about 2.5 years, where the global trend is spin-down, but the outbursts continue. In 1995 the orbital phase of EXO 2030+375's outbursts shifted from peaking about 6 days after periastron to peaking before periastron. The outburst phase slowly recovered to peaking at about 2.5 days after periastron. We interpret this shift in orbital phase followed by a slow recovery as evidence for a global one-armed oscillation propagating in the Be disk. This is further supported by changes in the shape of the H(alpha) profile which are commonly believed to be produced by a reconfiguration of the Be disk. The truncated viscous decretion disk model provides an explanation for the long series of normal outbursts and the evidence for an accretion disk in the brighter normal outbursts. Long-term multi-wavelength observations such as these clearly add considerably to our knowledge of Be/X-ray binaries and the relationship between optical, infrared and X-ray observations.

Wilson, Colleen A.↗
DOE OSTI2025

Effects of crystallization on micro-mechanical behavior of polyethylene nanocomposites using Raman spectroscopy

Recent work has shown that nanoparticles can be ordered in semicrystalline polymers by controlling the crystallization rate, specifically by forcing them to migrate to the amorphous regions of the lamellar morphology. Here, we study the micromechanical behavior of neat polyethylene and silica/polyethylene nanocomposites filled with 15 nm brush-modified silica in the quenched and slow-crystallized organized state. The molecular response to loading in tension was monitored with Raman spectroscopy using the peaks associated with crystalline and amorphous regions. The addition of nanofillers dramatically reduced the shift in the amorphous peaks, indicating that in addition to carrying some load, the brush-modified nanoparticles may be acting as tie molecules that restrict amorphous deformation. The higher degree of lamellar organization and the organization of the nanoparticles also impacted the crystalline peak shifts, but more subtly.

Polyethylene↗
NASA NTRS2005

The Cheshire-cat-like Behavior of 2nu(sub 3) Overtone of Co2 near 2.134 micron: NIR Lab Spectra of Solid CO2 in H2O and CH3OH

Infrared (IR) spectra have demonstrated that solid H2O is very common in the outer Solar System, and solid carbon dioxide (CO2) has been detected on icy satellites, comets, and planetismals throughout the outer Solar System. In such environments, CO2 and H2O must sometimes be mixed at a molecular level, changing their IR absorption features. In fact, the IR spectra of CO2-H2O mixtures are not equivalent to a linear combination of the spectra of the pure materials. Laboratory IR spectra of pure CO2 and H2O have been published but a lack of near-IR spectra of CO2-H2O mixtures has made the interpretation of outer Solar System spectra more difficult. We present near infrared (IR) spectra of CO2 in H2O and in CH3OH compared to that of pure solid CO2 and find significant differences. Peaks not present in either pure H2O or pure CO2 spectra become evident. First, the CO2 (2nu(sub 3)) overtone near 2.134 micron (4685/ cm) that is not seen in pure solid CO2 is prominent in the spectrum of a CO2/H2O = 25 mixture. Second, a 2.74 micron (3650/ cm) dangling OH feature of water (and a potentially related peak at 1.89 micron) appear in the spectra of CO2-H2O ice mixtures, but may not be specific to the presence of CO2. Other CO2 peaks display shifts in position and increased width because of intermolecular interactions with water. Changes in CO2 peak positions and profiles on warming of a CO2/H2O = 5 mixture are consistent with 'segregation' of the ice into nearly pure separate components. Absolute strengths for absorptions of CO2 in solid H2O are estimated. Similar results are observed for CO2 in solid CH3OH. Since the CO2 ( 2nu(sub 3)) overtone near 2.134 micron (4685/ cm) is not present in pure CO2 but prominent in mixtures it may be a good observational indicator of whether solid CO2 is a pure material or intimately mixed with other molecules. Significant changes in the near IR spectrum of solid CO2 in the presence of H2O and CH3OH means that the abundance of solid CO2 in the outer Solar System may have been under-estimated in those environments where solid CO2 and H2O or CH3OH are mixed.

Bernstein, Max↗
DOE OSTI2024

Voltage and temperature effects on low cobalt lithium-ion battery cathode degradation

Degradation of low cobalt lithium-ion cathodes was tested using a full factorial combination of upper cut-off voltage (4.0 V and 4.3 V vs. Li/Li + ) and operating temperature (25 °C and 60 °C). Half-cell batteries were analyzed with electrochemical and microstructural characterization methods. Electrochemical performance was assessed with galvanostatic cycling, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS) supported by distribution of relaxation times (DRT) analysis. Electrode microstructure was characterized with scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray absorption near edge structure (XANES) imaging. Higher cut-off voltage cycling shows presence of NiO x formation, a low diffusivity rock-salt phase, in both CV and XRD data. XRD patterns confirmed that the rock-salt phase was beginning to form at the low cut-off voltage at high temperature, but in much lower intensity than at the high cut-off voltage. Higher temperature accelerates degradation processes at both voltages. Degradation factors at high temperature include NiO x formation, cathode material dissolution, and electrolyte decomposition. SEM analysis suggests that supporting phases may isolate and disconnect active material particles reducing capacity retention and battery life cycle. DRT analysis and XANES imaging show that both high temperature samples revealed a NiO x phase based on an increased diffusive impedance and a visible shift in the XANES spectra. The low cut-off voltage, high temperature sample showed a split peak and shift to lower energies indicating early formation of the NiO x phase. The diffusive impedance, which hinders intercalation and deintercalation, is driven by the formation of the NiO x phase. While primarily driven by cut-off voltage, elevated temperature also contributes to this degradation mechanism.

electrochemical impedance spectroscopy↗
DOE OSTI2024

Modeling aerosol transmission spectra from n(λ) and k(λ) infrared optical constants measurements of organic liquids and solids

The effects of light scattering and refraction play significantly different roles for aerosols than for bulk materials, making it challenging to identify aerosolized chemicals using traditional spectral methods or spectral reference libraries. Due to a potentially infinite number of particle morphologies, sizes, and compositions, constructing a database of laboratory-measured aerosol spectra is not a practical solution. Here, as an alternative approach, the measured n / k optical vectors of two example organic materials (diethyl phthalate and D-mannitol) are used in combination with particle absorption / scattering theory (Mie theory and FDTD) and the Beer-Lambert law to generate a series of synthetic infrared transmission / scattered light spectra. The synthetic spectra show significant differences versus simple slab transmission spectra, even for small changes in particle size (e.g., 5 vs. 10 µm) for both single particles and ensembles, potentially serving as useful reference data for aerosol sensing. For spherical single particles with diameters of 1 to 10 µm, FDTD simulations predict changes in the magnitudes of spectral shifts and the shapes of the peaks vs. particle size with only small deviations from Mie theory predictions, yet reliably capture the direction of the shifts. Typical spectral peak shifts in the longwave infrared correspond to Δλ ∼0.20 µm (∼34 cm -1 ) when compared to corresponding slab transmission spectra. Additionally, synthetic spectra generated from the n / k values derived using two different methods (KBr pellet transmission and single-angle reflectance) are compared using the Mie theory model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Acoustic, performance, and wake survey measurements of a lobed velocity-decayer nozzle installed on a quieted TF-34 turbofan engine

Results for three velocity decayer nozzle configurations are compared with those obtained with a separate flow coannular nozzle tested on the same quieted turbofan engine. Peak sideline noise, which occurred 110 degrees from the inlet, was 2 to 4 db louder than with the coannular nozzle at the same ideal effective exhaust velocity and 8 to 11 db louder at the same thrust level. The decayer nozzles produced an increase in loss equivalent to about 4 percent of the engine thrust and also increased the effective exhaust velocity of the engine. The exhaust decayed to 0.35 of its peak velocity, compared with no decay for the coannular nozzle, within 3 equivalent nozzle diameters of the exit. The peak exhaust gas temperature was 400 K lower for the decayer configuration at the same location. The increase in perceived noise level for the decayer nozzles as compared with the coannular nozzle was attributed to the increase in exhaust velocity and the shift in peak spectrum frequency produced by these nozzles.

Samanich, N. E.↗
DOE OSTI2024

A Novel Emergent Constraint Approach for Refining Regional Climate Model Projections of Peak Flow Timing

Abstract Global climate models (GCMs) are unable to produce detailed runoff conditions at the basin scale. Assumptions are commonly made that dynamical downscaling can resolve this issue. However, given the large magnitude of the biases in downscaled GCMs, it is unclear whether such projections are credible. Here, we use an ensemble of dynamically downscaled GCMs to evaluate this question in the Sierra‐Cascade mountain range of the western US. Future projections across this region are characterized by earlier seasonal shifts in peak flow, but with substantial inter‐model uncertainty (−25 ± 34.75 days, 95% confidence interval (CI)). We apply the emergent constraint (EC) method for the first time to dynamically downscaled projections, leading to a 39% (−28.25 ± 20.75 days, 95% CI) uncertainty reduction in future peak flow timing. While the constrained results can differ from bias corrected projections, the EC is based on GCM biases in historical peak flow timing and has a strong physical underpinning.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

Langmuir Probe Measurements Within the Discharge Channel of the 20-kW NASA-300M and NASA-300MS Hall Thrusters

NASA is presently developing a high-power, high-efficiency, long-lifetime Hall thruster for the Solar Electric Propulsion Technology Demonstration Mission. In support of this task, studies have been performed on the 20-kW NASA-300M Hall thruster to aid in the overall design process. The ability to incorporate magnetic shielding into a high-power Hall thruster was also investigated with the NASA- 300MS, a modified version of the NASA-300M. The inclusion of magnetic shielding would allow the thruster to push existing state-of-the-art technology in regards to service lifetime, one of the goals of the Technology Demonstration Mission. Langmuir probe measurements were taken within the discharge channels of both thrusters in order to characterize differences at higher power levels, as well as validate ongoing modeling efforts using the axisymmetric code Hall2De. Flush-mounted Langmuir probes were also used within the channel of the NASA-300MS to verify that magnetic shielding was successfully applied. Measurements taken from 300 V, 10 kW to 600 V, 20 kW have shown plasma potentials near anode potential and electron temperatures of 4 to 12 eV at the walls near the thruster exit plane of the NASA-300MS, verifying magnetic shielding and validating the design process at this power level. Channel centerline measurements on the NASA-300M from 300 V, 10 kW to 500 V, 20 kW show the electron temperature peak at approximately 0.1 to 0.2 channel lengths upstream of the exit plane, with magnitudes increasing with discharge voltage. The acceleration profiles appear to be centered about the exit plane with a width of approximately 0.3 to 0.4 channel lengths. Channel centerline measurements on the NASA-300MS were found to be more challenging due to additional probe heating. Ionization and acceleration zones appeared to move downstream on the NASA-300MS compared to the NASA-300M, as expected based on the shift in peak radial magnetic field. Additional measurements or alternative diagnostics will be needed to verify peak electron temperatures in the NASA-300MS and compare them with model predictions.

Hall thruster↗
DOE OSTI2024

Electrification of residential and commercial buildings integrated with hybrid renewable energy systems: A techno-economic analysis

Here, this study assesses the techno-economic viability of city-scale building electrification, comparing a base case scenario with conventional HVAC systems to an electrified scenario with heat pump systems. EnergyPlus simulations reveal a 28% increase in annual electricity consumption in the electrified scenario, shifting the peak consumption from summer to winter with a 49% surge. Hybrid renewable energy systems (HRESs) are then evaluated using HOMER Pro, considering renewable penetration from 0% to 100%. The net present cost (NPC) of the base case and electrified scenarios range from $\$10.34$ to $\$24.38$ billion and $\$8.79$ to $\$50.31$ billion, respectively. Sensitivity analysis explores the impact of carbon tax, fuel price, and renewable subsidies on HRESs in the electrified scenario. Results indicate that applying a carbon tax up to $\$120$/tonne of CO 2 increases the optimum renewable fraction from 5% to 26%, while higher fuel prices and renewable subsidies further enhance the feasibility by shifting the optimum renewable fraction to 60% and 54%, respectively, demonstrating the interplay between economic factors and renewable integration in electrified urban contexts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Thermal and mechanical performance of gypsum composites containing fly ash cenosphere encapsulated phase change materials

Utilizing phase change materials (PCMs) within construction materials improves the thermal energy storage capabilities in the built environment. Notably, integrating PCMs into drywalls presents a promising avenue to reduce building energy use. However, incorporating PCMs into drywalls poses challenges, particularly reduced mechanical properties and workability limitations as it can adversely affect the hardening and cohesiveness of gypsum composites. To address these challenges, this study explores a novel strategy to incorporate PCMs into gypsum composites through fly ash cenosphere-encapsulated PCM, namely CenoPCM, aiming to enhance the mechanical properties and thermal conductivity over existing commercial counterparts. An experimental program was conducted to study the impact of the inclusion of CenoPCM on the mechanical and thermal performance of gypsum composites, and the results were compared to those of commercially available polymerencapsulated PCM benchmark (Micronal). The findings highlighted that PCM-charged samples exhibited up to 95.90 J/g (CenoPCM) of latent heat with 70 % CenoPCM loading. The results of mechanical tests also showed that CenoPCM outperformed its polymer-encapsulated counterpart, achieving 55 % higher mechanical strength on average. Here, this improvement is attributed to the rigid shell of fly ash cenosphere (FAC) serving as a PCM carrier, providing a skeleton-like structure to gypsum composites for higher load-bearing capacity. Additionally, hotbox tests demonstrated that the CenoPCM-charged wall panels yielded a 20 % higher thermal conductivity and a 22 % increased time lag compared to Micronal PCM-charged panels, indicating its potential to shift the peak load in buildings.

Ceno PCM↗
DOE OSTI2025

Dynamic modelling and control strategy of a temperature-driven metal hydride cooling system for buildings

A temperature-driven coupled metal hydride (MH) based thermal energy storage (TES) system can allow to shave and shift the peak energy demand in buildings. The high energy density and long-term (seasonal) energy storage capability are its major advantages over other energy storage methods. The dynamic nature of the MH operation, however, requires controlled hydrogen transfer between the coupled MHs at a rate needed to meet the building's transient load. While temperature-driven MH systems are studied in the literature, their application in buildings and control are scarcely reported. Here, this paper presents a control-based dynamic modeling of the temperature-driven coupled MH-TES system for building cooling applications. The dynamic model is developed in MATLAB(R) Simulink environment, considering the thermodynamic and kinetic behaviors of the MH systems. Based on a preliminary analysis of a property database of over 337 hydrides, we select around 1600 MH pairs suitable for building cooling applications. Each of these MH pairs is studied for their performance using the dynamic model, and among all, Zr 0.76 Ti 0.24 Ni 1.16 Mn 0.63 V 0.14 Fe 0.18 -Ti 0.85 Zr 0.15 Cr 1.2 Mn 0.8 MH pair showed fast dynamics along with high coefficient of performance (COP) of 0.71. A parametric investigation is performed on this MH pair to understand the effect of operating temperatures. Finally, three proportional-integral (PI) feedback controllers are investigated to regulate the temperature, pressure and mass exchange between the coupled MH pairs. The developed PI controller is sufficiently capable of rejecting the signal noise from the hydrogen flow and internal heat exchange processes with root mean square error of 5.78 W between reference and actual cooling load.

08 HYDROGEN↗
DOE OSTI2024

A hierarchical framework for aggregating grid-interactive buildings with thermal and battery energy storage

The behind-the-meter (BTM) thermal and battery energy storage can help improve energy efficiency, reduce energy costs, and enhance energy resilience, particularly in rural areas and for disadvantaged communities. Aggregating numerous BTM energy storage systems can act as a price influencer with a significant source of load shifting and peak demand reduction. An integrated and scalable control mechanism is required to effectively utilize energy storage systems and flexible building loads to maximize the economic benefits, considering various distribution system constraints. Here, this paper presents an innovative hierarchical coordination framework for energy storage and flexible load in buildings, considering various factors such as electricity prices, thermal comfort, and distribution system modeling and constraints. At the upper level, a distribution system operator optimizes the power flow to minimize its power procurement costs from the electricity wholesale market, while at the lower level, aggregators determine the optimal dispatch of battery and thermal energy storage systems in multiple buildings on behalf of end-users to minimize operating costs according to the power prices. These problems are solved using a game-theoretic approach through negotiations between the distribution system operator and aggregators as a bi-level decision model. Simulation case studies have been performed for a test distribution network with a number of building end-users using energy storage systems to quantify the performance of aggregators. The results demonstrate that the proposed strategy can reduce peak load for a reliable electricity distribution network while saving electricity bills for customers.

25 ENERGY STORAGE↗
DOE OSTI2026

Exploring Local Vibrational Structure in Protein-Bound Chlorophyll a: Isotope-Enrichment Experiments and Electrostatic Analysis

Local chlorophyll (Chl) vibrations play an essential role in biological photosynthesis by facilitating rapid energy transfer between pigments. In research studies, they also provide a useful spectroscopic probe of the local protein environment that surrounds each pigment. However, measuring the complete vibrational absorption spectrum of a protein-bound Chl molecule is much more difficult than, for example, Chl in neat solvent due to overlap with protein vibrations that typically drown out Chl vibrational features. Resonance Raman and fluorescence spectroscopies provide a way around this problem for Franck–Condon active vibrations, but these often rely on cryogenic measurement conditions and fail to capture vibrational signatures from, e.g., ester-group vibrations that lack coupling to a convenient electronic transition. In the present contribution, we use 13 C-enrichment of the protein backbone to shift protein background signals to lower frequency, providing a largely clean spectral window in which to study local Chl a C═O stretch modes. A room-temperature absorption spectrum for Chl a in the water-soluble chlorophyll protein (WSCP) of Lepidium virginicum is thus extracted as a difference between protein-plus-pigment and protein-only vibrational spectra. Excellent agreement in the molecular fingerprint region with the vibrational spectrum of Chl a in organic solvents confirms that the resulting spectrum represents the response of the protein-bound Chl a molecule. Furthermore, the ester group resonance is observed to shift in response to the S53P mutation that eliminates a 17 3 ester group hydrogen bond from the protein environment. Finally, we analyze these experimental results using MD-based electrostatic analysis, finding that electric-field mapping at the C atom of the ester group provides a satisfactory explanation for the observed frequency shifts between organic solvent and protein environment. MD analysis further suggests that a red-shifted ester peak observed experimentally for the S53P mutant results from solvation of the 17 3 Chl ester group due increase water penetration into the Chl-binding pocket relative to wild-type WSCP. Here, we anticipate that these results will prove useful both for benchmarking future simulation work and as a reference for interpreting Chl vibrational spectra as a probe of pigment–protein interactions.

14 SOLAR ENERGY↗