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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Techno-Economic Analysis for the Addition of a Thermal Energy Storage System to a Central Plant

Increasing energy demand and rising peak loads present significant challenges for energy management in commercial and institutional settings. As climate change drives greater cooling needs, central plants must navigate the complex tradeoffs between operational efficiency, cost control, and grid stability. Thermal energy storage (TES) systems offer a viable solution by shifting energy consumption from peak to off-peak periods, thereby reducing peak demand, lowering utility expenses, and improving grid resilience. However, the success of TES implementation hinges on appropriate system sizing, effective control strategies, and alignment with local utility rate structures. This article presents a techno-economic analysis of integrating a chilled water TES system into the central plant at California State University, Dominguez Hills. Drawing on historical load profiles and utility tariffs, we assess three TES sizing approaches and their corresponding control strategies from both energy and economic perspectives. This article utilizes a model-based approach to assess the impact of TES sizing and control strategies on the techno-economic feasibility of integrating TES into an existing central plant. The models employed for this analysis were calibrated using 4 years of historical data. Here, the results demonstrated that utility tariffs and the campus's operational profiles dictate the most feasible sizing and control methods. The findings offer valuable insights for institutions and commercial building managers exploring sustainable energy solutions. By demonstrating how optimized TES strategies can improve operational efficiency while achieving financial savings, this study highlights the potential for TES to align performance with cost effectiveness in real-world applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Effects of interlayer spacing and applied pressure on the lanthanide transport in MoS 2 -based two-dimensional channels

Rare-earth elements (REEs) are critical to modern industry but difficult to separate due to their subtle and monotonic changes in physicochemical properties. MoS 2 -based two-dimensional (2D) materials offer novel opportunities for enhancing REE separation, exhibiting a distinct volcano-shaped transport performance distribution that peaks at Sm 3+ . However, the specific contributions of thermodynamic and kinetic factors to ion transport within 2D confinement remain unclear. In this study, we conducted a series of non-equilibrium all-atom molecular dynamics (MD) simulations to explore the effects of interlayer spacing and external pressure on the transport of lanthanide ions in Å-scale acetate functionalized 2D MoS 2 (MoS 2 -COOH) channels. We examined ion entry and permeation rates, water flux, dehydration, and binding modes. The simulation results reveal that the transport trends of lanthanide ions are jointly driven by the dehydration degree and the relative-binding strengths of ions to water and to the acetate within the 2D channels. Notably, the dehydration pattern of lanthanide ions during permeation is closely linked to kinetic factors. Overall, this study provides a detailed atomistic understanding of the mechanisms underlying lanthanide ion transport under confinement. These findings point to the significant potential for tuning confinement and chemical functionalization within Å-scale channels for more efficient REE separation.

2D channels↗
DOE OSTI2026

Field Validation of a Grid-Interactive Efficient Building Software Solution

The U.S. General Services Administration's (GSA's) Green Proving Ground (GPG) program, in partnership with the National Laboratory of the Rockies (NLR), completed a field study of a Grid-Interactive Efficient Buildings (GEB) software solution. The study focused on a single testbed facility to test the GEB functionality of the software solution, along with other features. The testbed facility - a courthouse - is a common building type in GSA's vast building portfolio, offering potentially impactful findings on a scalable level. The study evaluated Prescriptive Data's technology, Nantum OS, a connected building operating system ("GEB Solution") which aggregates multiple sources of previously siloed building data and combines that data with external sources, such as weather information or utility signals, into a single integrated platform. A GEB Solution is a type of Energy Management Information System (EMIS). EMIS is defined as a system of devices, data services, and software applications that communicates with any building system or third-party data source to aggregate and transform data into new capabilities to aid in the optimization of energy use at the building, campus, or agency level. This specific GEB Solution is an EMIS with ASO, automated system optimization, offering supervisory control of certain aspects of the Building Automation System (BAS). Multiple features were evaluated including, but not limited to, Continuous Demand Management to avoid setting new monthly kilowatt (kW) peaks, energy efficiency for reduction of kilowatt hours (kWh) and natural gas consumption, and automated demand response (ADR) for purposes of lowering demand during a utility called Demand Response (DR) event. The testbed facility was the Foley Federal Building and US Courthouse ("Foley Federal Building") located in Las Vegas, NV. This is a 209,496 sq. ft. building constructed in the 1960s with major renovations in 2004. The facility was a good candidate due to the large prevalence of office and courthouse spaces in the GSA portfolio of buildings. It also has many features which allow integration into and control of the building and a strong facilities team to assist with the study. Quantitative and qualitative performance objectives were developed using GSA's GPG GEB project template along with input from the vendor and building facility staff; these are outlined in Table 1. The quantitative performance objectives focused on continuous demand management, energy efficiency, and automated demand response. The qualitative performance objectives focused on the ease of installation and commissioning as well as the operability of the GEB solution. Other performance metrics that are reported on include carbon reduction, cost effectiveness, and occupant acceptance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Anisotropic Phonon Response of Few-Layer PdSe 2 under Uniaxial Strain

PdSe 2 , an emerging 2D material with a novel anisotropic puckered pentagonal structure, has attracted growing interest due to its layer-dependent electronic bandgap, high carrier mobility, and good air stability. In this work, a detailed Raman spectroscopic study of few-layer PdSe 2 (two to five layers) under the in-plane uniaxial tensile strain up to 3.33% is performed. Two of the prominent PdSe 2 Raman peaks are influenced differently depending on the direction of strain application. Additionally, the A g 1 mode redshifts more than the A g 3 mode when the strain is applied along the a -axis of the crystal, while the A g 3 mode redshifts more than the A g 1 mode when the strain is applied along the b -axis. Such an anisotropic phonon response to strain indicates directionally dependent mechanical and thermal properties of PdSe 2 and also allows the identification of the crystal axes. The results are further supported using first-principles density-functional theory. Interestingly, the near-zero Poisson’s ratios for few-layer PdSe 2 are found, suggesting that the uniaxial tensile strain can easily be applied to few-layer PdSe 2 without significantly altering their dimensions at the perpendicular directions, which is a major contributing factor to the observed distinct phonon behavior. The findings pave the way for further development of 2D PdSe 2 -based flexible electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Water and heat: New constraints on the evolution of the CV chondrite parent body

This paper focuses on the post-accretion history of CV3 chondrites, through a combination of petrographic and mineralogical characterization, magnetic measurements, spectral (Raman and Infrared) and thermo-gravimetric analysis of 31 meteorites (including 7 falls, 21 Antarctic and 3 non-Antarctic finds) spanning a wide metamorphic range. We classify the 21 Antarctic chondrites and the Bukhara fall into the CV Red , CV OxA , and CV OxB subgroups. We establish quantitative parameters relevant for this sub-classification. In comparison to CV Ox , CV Red chondrites are characterized by (i) a lower abundance of matrix, (ii) a higher abundance of metal, (iii) the presence of Ni-poor sulfides. In comparison to CV OxB , CV OxA are characterized by (i) similar matrix abundance, (ii) a higher abundance of metal, (iii) the presence of metal almost exclusively under the form of awaruite, (iv) lower Ni content of sulfides, (v) lower magnetic susceptibility and saturation remanence. In this work, both CV Ox (CV OxA and CV OxB ) and CV Red experienced aqueous alteration, and contain oxyhydroxides and phyllosilicates. We show that the abundance of these hydrated secondary minerals observed today in individual CV chondrites decreases with their peak metamorphic temperature. This is interpreted either as partial dehydration of these secondary minerals or limited hydration due to the rapid exhaustion of the water reservoir during parent body thermal metamorphism. Moreover, the lower abundance of oxyhydroxides (that have a lower thermal stability than phyllosilicates and may in large part postdate the peak of thermal metamorphism) in more metamorphosed CV chondrites is interpreted as lower availability of aqueous fluids during retrograde metamorphism in these meteorites. Lastly, we show that in comparison to CV OxB , CV OxA are systematically (i) more metamorphosed, (ii) less hydrated, (iii) depleted in ferromagnetic minerals, (iv) but enriched in metal in the form of secondary awaruite. CV OxA may be thermally metamorphosed CV OxB . CV Red are significantly different from CV Ox (matrix abundances, alteration products, opaque minerals), but span the same wide metamorphic range. This could be indicative of a laterally heterogeneous CV parent body, or suggest the existence of distinct parent bodies for CV Ox and CV Red chondrites.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Investigating performance and variability of NIF ICF experiments with deep learning

The parameter space involved in designing an inertial confinement fusion shot at the National Ignition Facility (NIF) is massively multi-dimensional and the cost of a single shot makes a comprehensive set of sensitivity studies in the laboratory impractical. The use of machine learning to overcome these challenges has gained popularity and has had several successful applications by the scientific community. We extend on these efforts by training a neural network (NN) on information about the experimental design, engineering elements, and drive asymmetry to predict with uncertainty the neutron yield of an experiment. We find the measured and model predicted values are in good agreement, with an R 2 value of 0.91 for a randomly selected test dataset. Almost all the predicted 95% credible intervals contain the corresponding measured value for both training and test datasets. We identify correlations picked up by the NN between the shot design, yield, and variability and use them to motivate shot sensitivity studies. The first shot to exceed the Lawson-like ignition criteria (N210808) was conducted at the NIF and subsequent shots studied the design’s robustness. In a follow-up shot to N210808, our model predicts capsule quality to be the main performance degradation mechanism that prevented the shot from repeating previous performance levels. Shot N221204 was the first shot to exceed a target energy gain of 1. Our model predicts increased yield with reduced coast time for a N221204 study and greater variability for designs with lower peak powers at constant yield. The model’s fast prediction speed and uncertainty prediction are useful for identifying interesting design paths that could warrant further investigation with conventional simulations to search for robust high yield designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The impact of the fiducial cosmology assumption on BAO distance scale measurements

ABSTRACT Standard analysis pipelines for measurements of Baryon Acoustic Oscillations (BAO) in galaxy surveys make use of a fiducial cosmological model to guide the data compression required to transform from observed redshifts and angles to the measured angular and radial BAO peak positions. In order to remove any dependence on the fiducial cosmology from the results, all models compared to the data should mimic the compression and its dependence on the fiducial model. In practice, approximations are made when testing models: (1) There is assumed to be no residual dependence on the fiducial cosmology after reconstruction, (2) differences in the distance–redshift relationship are assumed to match a linear scaling, and (3) differences in clustering between true and fiducial models are assumed to be removed by the free parameters used to null the non-BAO signal. We test these approximations using the current standard measurement procedure with a set of halo catalogues from the aemulus suite of N-body simulations, which span a range of wCDM cosmological models. We focus on reconstruction of the primordial BAO and locating the BAO. For the range of wCDM cosmologies covered by the aemulus suite, we find no evidence for systematic errors in the measured BAO shift parameters α∥ and α⊥ to $\lt 0.1\%$. However, the measured errors $\sigma _{\alpha _{\parallel }}$ and $\sigma _{\alpha _{\bot }}$ show a notable absolute increase by up to +0.001 and +0.002, respectively, in the case that the fiducial cosmology does not match the truth. These effects on the inferred BAO scale will be important, given the precision of measurements expected from future surveys including DESI, Euclid, and WFIRST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Energy flexibility of residential buildings: A systematic review of characterization and quantification methods and applications

With building electric demand becoming increasingly dynamic, and a growing percentage of intermittent renewable power generation from solar photovoltaics and wind turbines, the power grid is facing increasing challenge to manage the real time balance between the supply and demand. With advancements in smart sensing and metering, smart appliances, electric vehicles, and energy storage technologies, demand side management of residential buildings can help the grid to improve stability by optimizing flexible loads. This paper reviews recent studies on residential building demand side management, with a focus on characterization and quantification of energy flexibility covering various types of flexible loads, metrics, methods, and applications. The reviewed studies showed four levels of applications: building level (45%), district or community level (29%), system level (19%), and building sector level (7%). Shifting loads is the dominant flexibility type in 60% of applications, followed by shedding (19%), generation (16%), and modulating (6%). Depending on the technology and application scope, flexible operations have a wide range of performance, with peak power reductions of 1%~65%, energy savings up to 60%, operational cost reduction of 1%~48%, and greenhouse gas emission reductions of up to29%. More than half (51%) of the studies employed control strategies to achieve flexibility; among those 72% used optimal controls, while 28% used rule-based controls. About 58% of the studies used mathematical formulation to quantify energy flexibility. Most studies were based on simulation, while less than 15% of the studies had measurements from experiments or field tests. The review reveals research opportunities to address significant gaps in the existing literature: (1) establishing a common definition and performance metrics for energy flexibility of buildings that are technology and application agnostic, (2) developing an ontology to standardize representation of flexibility resources for interoperability, (3) integrating occupant impacts into the quantification and optimization of energy flexibility, and (4) developing requirements and credits of energy flexibility in building energy codes and standards. Findings from the review can inform future research and development of energy flexible buildings which are essential to a reliable and resilient power grid.

Li, H↗
DOE OSTI2025

Measuring and unbiasing the BAO shift in the Ly α forest with AbacusSummit

ABSTRACT The Dark Energy Spectroscopic Instrument (DESI) places sub- per cent constraints on measurements of the Baryon Acoustic Oscillation (BAO) scaling parameters from the Ly $\alpha$ forest. However, no systematic error budget stemming from non-linearities in the three-dimensional clustering of the Ly $\alpha$ forest is included in the DESI-Ly $\alpha$ analysis. In this work, we measure the size of the shift of the BAO peak using large Ly $\alpha$ forest mocks produced on the N-body simulation suite AbacusSummit, which adopt the Fluctuating–Gunn–Peterson Approximation (FGPA). Specifically, we measure the Ly $\alpha$ autocorrelation and the Ly $\alpha$-quasar cross-correlation functions. To mitigate the noise, we adopt a linear control variates technique, reducing the error bars by a factor of up to $\sim \sqrt{50}$ on large scales. From the autocorrelation, we detect a small positive shift in radial direction of $\Delta \alpha _{\parallel }= 0.35~{{\ \rm per\ cent}}$ at the 3$\sigma$ level and virtually no shift in the transverse direction, $\alpha _\perp$. From the cross-correlation, we see a similar shift to $\Delta \alpha _\parallel$, albeit with larger error bars, and a small negative shift, $\Delta \alpha _{\perp }=\sim$0.25 per cent, at the 2$\sigma$ level. We also make a connection with the Ly $\alpha$ forest effective field theory (EFT) framework and find that the one-loop EFT power spectrum yields unbiased measurements of the BAO shift parameters in radial and transverse direction for Ly $\alpha$ auto- and the Ly $\alpha$-quasar cross-correlation measurements. When using the one-loop EFT framework, we find that we can recover the BAO parameters without a shift, which has important implications for future Ly $\alpha$ forest analyses based on EFT. This work paves the way for novel full-shape analyses of the currently observing DESI and future surveys such as the PFS, WEAVE-QSO, and 4MOST.

Hadzhiyska, Boryana↗
DOE OSTI2025

Resident Tolerance to Transitional Temperature Deviation in Smart Communities

Choosing the right HVAC system or the right algorithm of implementing demand response may create significant energy and environmental gains while maintaining resident comfort. But these questions are closely related to the concept of user comfort, which in turn requires a reasonable fit between user preferences and temperature setpoints. While setting the temperature right is a well-researched question, systems in transition from one setpoint to another are currently not thoroughly addressed in research. But how tolerant the residents really are if a system spends a large share of time outside of the comfort setpoint. This study gives some early insights on how the deviation of temperature from the setpoint affect perceived resident comfort. We use two weeks of data for a smart neighborhood located in Atlanta, GA. We find that the system spends 20% - 50% of time deviating from the setpoint by more than 1℉. However, we do not find that increasing deviations cause resident complaints or increasing overrides.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Achieving record hot spot energies with large HDC implosions on NIF in HYBRID-E

HYBRID-E is an inertial confinement fusion implosion design that increases energy coupled to the hot spot by increasing the capsule scale in cylindrical hohlraums while operating within the current experimental limits of the National Ignition Facility. HYBRID-E reduces the hohlraum scale at a fixed capsule size compared to previous HYBRID designs, thereby increasing the hohlraum efficiency and energy coupled to the capsule, and uses the cross-beam energy transfer (CBET) to control the implosion symmetry by operating the inner (23° and 30°) and outer (44° and 50°) laser beams at different wavelengths (Δλ> 0). Small case to capsule ratio designs can suffer from insufficient drive at the waist of the hohlraum. We show that only a small amount of wavelength separation between the inner and outer beams (Δλ1-2 Å) is required to control the symmetry in low-gas-filled hohlraums (0.3 mg/cm3 He) with enough drive at the waist of the hohlraum to symmetrically drive capsules 1180 μm in outer radius. This campaign is the first to use the CBET to control the symmetry in 0.3 mg/cm3 He-filled hohlraums, the lowest gas fill density yet fielded with Δλ> 0. We find a stronger sensitivity of hot spot P2 in μm per Angstrom (40–50 μm/Å wavelength separation) than observed in high-gas-filled hohlraums and previous longer pulse designs that used a hohlraum gas fill density of 0.6 mg/cm3. There is currently no indication of transfer roll-off with increasing Δλ, indicating that even longer pulses or larger capsules could be driven using the CBET in cylindrical hohlraums. We show that the radiation flux symmetry is well controlled during the foot of the pulse, and that the entire implosion can be tuned symmetrically in the presence of the CBET in this system, with low levels of laser backscatter out of the hohlraum and low levels of hot electron production from intense laser–plasma interactions. Radiation hydrodynamic simulations can accurately represent the early shock symmetry and be used as a design tool, but cannot predict the late-time radiation flux symmetry during the peak of the pulse, and semi-empirical models are used to design the experiments. Deuterium–tritium (DT)-layered tests of 1100 μm inner radius implosions showed performance close to expectations from simulations at velocities up to ~360 km/s, and record yields at this velocity, when increasing the DT fuel layer thickness to mitigate hydrodynamic mixing of the ablator into the hot spot as a result of defects in the ablator. However, when the implosion velocity was increased, mixing due to these defects impacted performance. The ratio of measured to simulated yield for these experiments was directly correlated with the level of observed mixing. These simulations suggest that reducing the mixing, e.g., by improving the capsule defects, could result in higher performance. In addition, future experiments are planned to reduce the coast time at this scale, delay between the peak compression and the end of the laser, to increase the hot spot convergence and pressure. To reduce the coast time by several hundred ps compared to the 1100 μm inner radius implosions, HYBRID-E has also fielded 1050 μm inner radius capsules, which resulted in higher hot spot pressure and a fusion energy yield of ~170 kJ.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Small Reservoirs Offer a New Perspective on Flood Reduction in Large Basins

The flood reduction potential of individual reservoirs within a large river network continuum remains poorly understood due to the complex interplay between reservoir characteristics and network properties. Here we investigate whether a collection of relatively small reservoirs can play a significant role in mediating downstream floods and assess how that role may be influenced by reservoir network properties compared to traditionally known reservoir characteristics. Our unique contribution was the simulation of downstream flood inundation maps alongside peak flows for each of the 81 major reservoirs (6 × 104 to 8 × 109 m3) across 15,000 river reach segments, integrated into a process-based hydrologic model covering a 415,000 km2 region in the Texas Gulf Coast, United States. The three key takeaways from our study are as follows. (a) Smaller reservoirs can substantially reduce downstream flooding, suggesting that inclusion of large reservoirs—the traditional approach in flood risk management studies—may present only a partial picture. (b) Flood reduction by smaller reservoirs is more effective upstream, although this phenomenon may be linked with aridity and overall water availability. (c) While reservoir size matters, it is not the primary factor determining its downstream flood reduction potential; the influence of network properties, such as catchment area, the count of upstream reservoirs, the cumulative maximum storage capacity of upstream reservoirs, and Stream Order (i.e., location), is equally and often more important. The broader impact of our findings goes beyond just floods, providing foundational insights for addressing emerging challenges such as aging dams and river connectivity.

Patel, Krutikkumar [University of Texas at Arlingt↗
DOE OSTI2022

Methods for Computing Physically Realistic Estimates of Electric Water Heater Demand Response Resource Suitable for Bulk Power System Planning Models

Demand response is commonly called on to reduce load during system peak times or to respond to contingency events. In future power systems with higher shares of wind and solar generation (which we describe together as variable generation [VG]), demand response could have more opportunities to provide energy shifting or operating reserve services. This report evaluates the ability of residential electric water heaters, both electric resistance water heaters (ERWHs) and heat pump water heaters (HPWHs), to provide such services starting from detailed whole-building energy models that realistically represent New England single family home stock. We use a parsimonious surrogate model to represent operational flexibility in a form suitable for linear and mixed integer programming. This enables relatively fast determination of aggregate contingency reserve resource, price-taking energy shifting outcomes, and in some cases the determination of aggregate models at the megawatt (MW) scale that can be directly included in large-scale grid models. After selecting modeling methods and parameters through various computational experiments, we find interquartile ranges of contingency reserve resource in ISO-NE for about 603,400 ERWHs of 45 MW - 69 MW for Claim10 (50 minute responses provided with 10 minutes of advanced notification) and 65 MW - 102 MW for Claim30 (30 minute responses provided with 30 minutes of advanced notification), and for about 619,000 HPWHs of 48 MW - 88 MW for Claim10 and 52 MW - 90 MW for Claim30. The overall reserve resource is up to 32% of total load for ERWHs providing Claim10 service, 47% for ERWHs providing Claim30 service, 93% for HPWHs providing Claim10 service, and 97% for HPWHs providing Claim30 service. More work is required to determine if HPWHs are inherently more suitable than ERWHs for providing contingency reserve or if these results reflect idiosyncrasies of the single family home stock model used in this study. The value of this contingency resource in a Near-term VG model of ISO-NE is $\$ 0.40$ to $\$1.20$ per water heater-year, and significantly larger, $\$ 3.80$ to $\$ 5.30$ per water heater-year in a Mid-term VG model of ISONE. Aggregating surrogate models to the MW-scale for energy shifting service is more challenging than for contingency service and we only present such results for ERWHs, because we were unable to determine satisfactory ways to deal with HPWHs' time-varying and path dependent operational characteristics. Individual surrogate models suitable for evaluating the energy shifting resource from both ERWHs and HPWHs are created, however, and dispatched against day-ahead prices from the Near-Term VG and Mid-Term VG models of ISO-NE. The individual surrogate models are able to access and potentially shift all 640 GWh of HPWH load and 1,547 GWh of ERWH load we modeled in two different single family home stock models. In contrast, the most effective model of aggregate ERWH shifting resource we created only captured 34.7% of the total ERWH load. Energy shifting affected by price-taking dispatch against modeled day-ahead energy prices produces per water heater year profits of $\$19.44$ - $\$22.93$ for individual HPWHs, $\$39.11$ - $\$40.54$ for individual ERWHs, and up to $\$4.00$ - $\$4.24$ for aggregated ERWHs, with the variations mainly due to grid conditions (more or less VG). When the supply-side response to these changes is accounted for, the per water heater year production cost savings for ISO-NE are $\$7.50$ to $\$17.70$ for the most effective set of endogenously dispatched aggregate ERWHs, $\$15.60$ to $\$15.70$ for individual ERWHs dispatched against the DA prices, and $\$10.70$ to $\$11.20$ for individual HPWHs dispatched against DA prices. Those ranges primarily represent the difference between Near-Term VG and Mid-Term VG grid conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Identifying Molecular Scale Interactions of Nucleating Agents with Salt Hydrates for Thermal Energy Storage Applications

Latent heat based thermal energy storage is of interest as a method to mitigate and time-shift thermal load peaks and hence reduce energy demands for heating and cooling buildings. Notably, Glauber’s salt (GS) presents a good choice as a phase change material (PCM) for building applications because it has a melting point near room temperature (i.e., 32.4 °C), a large heat of fusion and energy density, and is low cost (~ $100/ton). However, there are several known limitations to using GS as a PCM, such as incongruent melting, high degree of supercooling, and formation of other hydration states, which renders GS unsuitable for practical use. Inorganic crystals acting as nucleating agents can avoid some of these issues with GS [1]. Understanding nucleation behavior through typical calorimetry experiments offers limited insight into the molecular-scale mechanisms. Here, we report isothermal titration calorimetry [2] to investigate the interactions between sodium sulfate salt and an organic nucleating agent - glycine. Our experiments provide qualitative and quantitative understanding of how glycine interacts with sodium sulfate across various temperatures. The findings offer insights into the nucleation onset temperature (24°C) and underscore the pivotal role of glycine's zwitterionic structure in facilitating nucleation. This preliminary work provides a foundation for subsequent exploration of nucleating agents that would be incorporated in different salt hydrate systems. 1. Purohit, B. K., and V. S. Sistla. "Inorganic salt hydrate for thermal energy storage application: A review." Energy Storage 3, no. 2 (2021): e212. 2. Velázquez-Campoy, Adrián, Hiroyasu Ohtaka, Azin Nezami, Salman Muzammil, and Ernesto Freire. "Isothermal titration calorimetry." Current protocols in cell biology 23, no. 1 (2004): 17-8.

calorimetry, nucleation & growth↗
DOE OSTI2020

Combining Laue diffraction with Bragg coherent diffraction imaging at 34-ID-C

Measurement modalities in Bragg coherent diffraction imaging (BCDI) rely on finding a signal from a single nanoscale crystal object which satisfies the Bragg condition among a large number of arbitrarily oriented nanocrystals. However, even when the signal from a single Bragg reflection with ( hkl ) Miller indices is found, the crystallographic axes on the retrieved three-dimensional (3D) image of the crystal remain unknown, and thus localizing in reciprocal space other Bragg reflections becomes time-consuming or requires good knowledge of the orientation of the crystal. Here, the commissioning of a movable double-bounce Si (111) monochromator at the 34-ID-C endstation of the Advanced Photon Source is reported, which aims at delivering multi-reflection BCDI as a standard tool in a single beamline instrument. The new instrument enables, through rapid switching from monochromatic to broadband (pink) beam, the use of Laue diffraction to determine crystal orientation. With a proper orientation matrix determined for the lattice, one can measure coherent diffraction patterns near multiple Bragg peaks, thus providing sufficient information to image the full strain tensor in 3D. The design, concept of operation, the developed procedures for indexing Laue patterns, and automated measuring of Bragg coherent diffraction data from multiple reflections of the same nanocrystal are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Timed to save: the added value of accounting for hourly incidence of electricity savings from residential space-conditioning measures

Abstract Previous research has recognized that the value of measures that reduce electricity usage depends upon the timing of the savings generated, but the lack of hourly savings shapes has limited the demonstration of this concept. We develop empirical hourly savings shapes for residential space-conditioning measures from nearly 18,000 efficiency projects in California and show how they combine with the diurnal and seasonal variation in electricity system costs. We find that these measures (cooling replacements; windows, doors, and skylights; and other envelope measures) tend to save electricity when system costs are highest and that the hourly savings account for 1.4–1.5 times as much value as non-time-sensitive estimates of efficiency would predict. We present these impact multipliers for each measure to quantify the additional value revealed by the time-sensitive approach. We show that this additional value is similar in an evolving electricity grid with storage, rather than natural gas generation, as the marginal resource.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Phonons, Q-dependent Kondo spin fluctuations, and 4f phonon resonance in YbAl 3

4f intermediate valence (IV) compounds are canonical hosts of correlated electron physics and can contribute to our understanding of the larger class of correlated electron materials. In this work, we study the prototype IV compound YbAl 3 which exhibits a nonintegral valence with a moderately heavy fermion ground state and a large Kondo temperature (T K ~500–600K). To better characterize the correlated physics of YbAl 3 , we have measured the phonon and the magnetic excitation spectra on single crystals of this material by time-of-flight inelastic neutron scattering and inelastic x-ray scattering. We have also performed theoretical calculations of the phonon spectra. We present three findings of these measurements. First, we observe that the measured phonon spectra can be described adequately by a calculation based on standard DFT+U density functional theory. The calculated energies, however, are 10% too low compared to the measured energies. This discrepancy may reflect a hardening of the phonons due to dynamic 4f correlations. Second, the low-temperature spin fluctuations on the Kondo energy scale k B T K have a momentum (Q) dependence similar to that seen recently in the IV compound CePd 3 . For that system, the Q dependence has been attributed to particle-hole excitations in a coherent itinerant 4f correlated ground state. We suggest a similar origin for the momentum dependence seen in YbAl 3 . This Q dependence disappears as the temperature is raised towards room temperature and the 4f electron band states become increasingly incoherent. Such a coherent/incoherent crossover is expected to be generic for correlated electron systems. Third, a low-temperature magnetic peak observed in the neutron scattering near 30 meV shows dispersion identical to a particular optic-phonon branch. This 4f/phonon resonance disappears for T≥150K. The phonon spectrum appears to be unaffected by the resonance. We discuss several possibilities for the origin of this unusual excitation, which may be unique to YbAl 3 . We suggest that the excitation may arise from the large amplitude beating of the light Al atoms against the heavy Yb atoms, resulting in a dynamic 4f/3p hybridization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Neonatal Zika virus infection causes transient perineuronal net degradation

Perineuronal nets (PNNs) form a specialized extracellular matrix that predominantly surrounds parvalbumin (PV)-expressing GABAergic inhibitory interneurons and help regulate neuronal activity. Their formation early in the postnatal period is regulated by neuronal signaling and glial activation raising concerns that part of the long-term effects ascribed to perinatal viral infections could be mediated by altered PNN formation. Previously, we developed a model of neonatal Zika virus (ZIKV) infection where mice have lifelong neurological sequelae that includes motor disfunction and reduced anxiety coupled with a persistent low-grade expression in proinflammatory markers despite resolving the acute infection. Here, we demonstrate that ZIKV infection to P1 neonatal mice results in a reduction of PNN formation during the acute disease with significant reduction in Wisteria floribunda agglutinin (WFA) staining at the peak of infection [15 days post infection (dpi)] that persisted after the symptoms resolved (30 dpi). At 60 dpi, when there is residual inflammation in the CNS, the number of WFA + cells and the level of WFA staining as well as levels of aggrecan and brevican in the brains of convalescent mice were not different from those in uninfected controls, however, there was increased frequency of PNNs with an immature phenotype. Over time the impact of the perinatal infection became less evident and there were no clear differences in PNN morphology between the groups at 1 year post infection. Of note, the reduction in PNNs during acute ZIKV infection was not associated with decreased mRNA levels of aggrecan or brevican, but increased levels of degraded aggrecan and brevican indicating increased PNN degradation. These changes were associated with increased expression of matrix metalloproteinase 12 (MMP12) and MMP19, but not MMP9, a disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS4) or ADAMTS5. Together our findings indicate that infection at the time of PNN development interferes with PNN formation, but the nets can reform once the infection and inflammation subside.

60 APPLIED LIFE SCIENCES↗