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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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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modeling and Analysing the Impact of Heat Pump Water Heaters on Distribution Systems Using GridLAB-D

With the constant increase in energy demand, finding ways to reduce peak load and the energy-costs factors has become more imperative. Domestic water heating showcases a significant opportunity for such applications. Water heating is the second-highest energy consumer in the residential sector across the United States. Electric Water Heaters (EWHs), in particular, constitute nearly 43% of American household water heating energy consumption. Heat Pump Water Heater (HPWH), on the other hand, are an advanced water heating technology that has recently emerged in the United States residential market. The objectives of this work are to develop a HPWH model and build a case study that evaluates various penetration levels of HPWH in providing reduced peak load and cost-effective energy savings for both utilities and customers. The HPWH model was developed and integrated within the GridLAB-D simulation environment. The model behavior was then validated against a real HPWH unit at Portland State University (PSU). The case studies incorporated five HPWH penetration levels, ranging from 20% to 100%. In each case, EWHs were replaced with HPWHs. The results showed that a high penetration level of HPWHs can reduce the energy consumption on a distribution system to 38%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1979

Normal and radial impact of composites with embedded penny-shaped cracks

A method is developed for the dynamic stress analysis of a layered composite containing an embedded penny-shaped crack and subjected to normal and radial impact. The material properties of the layers are chosen such that the crack lies in a layer of matrix material while the surrounding material possesses the average elastic properties of a two-phase medium consisting of a large number of fibers embedded in the matrix. Quantitatively, the time-dependent stresses near the crack border can be described by the dynamic stress intensity factors. Their magnitude depends on time, on the material properties of the composite and on the relative size of the crack compared to the composite local geometry. Results obtained show that, for the same material properties and geometry of the composite, the dynamic stress intensity factors for an embedded (penny-shaped) crack reach their peak values within a shorter period of time and with a lower magnitude than the corresponding dynamic stress intensity factors for a through-crack.

Sih, G. C.↗
DOE OSTI2020

Accuracy limitations for composition analysis by XPS using relative peak intensities: LiF as an example

Although precision in XPS can be excellent, allowing small changes to be easily observed, obtaining accurate absolute elemental composition of a solid material from relative peak intensities is generally much more problematical, involving many factors: background removal; differing analysis depths at different photoelectron kinetic energies; possible angular distribution effects; calibration of the instrument transmission function, and variations of the distribution of the photoelectron intensity between “main” peaks (those usually used for analysis) and associated substructure following the main peak, as a function of the chemical bonding of the elements concerned. The last item, coupled with the use of photoionization cross-sections and/or relative sensitivity factors, is the major subject of this paper, though it is necessary to consider the other items also, using LiF as a test case. The results show that the above issues, which are relevant to differing degrees in most XPS analyses, present significant challenges to highly accurate XPS quantification.

Brundle, Christopher R.↗
DOE OSTI2024

Genome-wide profiling of histone (H3) lysine 4 (K4) tri-methylation (me3) under drought, heat, and combined stresses in switchgrass

Background: Switchgrass (Panicum virgatum L.) is a warm-season perennial (C4) grass identified as an important biofuel crop in the United States. It is well adapted to the marginal environment where heat and moisture stresses predominantly affect crop growth. However, the underlying molecular mechanisms associated with heat and drought stress tolerance still need to be fully understood in switchgrass. The methylation of H3K4 is often associated with transcriptional activation of genes, including stress-responsive. Therefore, this study aimed to analyze genome-wide histone H3K4-tri-methylation in switchgrass under heat, drought, and combined stress. Results: In total, ~ 1.3 million H3K4me3 peaks were identified in this study using SICER. Among them, 7,342; 6,510; and 8,536 peaks responded under drought (DT), drought and heat (DTHT), and heat (HT) stresses, respectively. Most DT and DTHT peaks spanned 0 to + 2000 bases from the transcription start site [TSS]. By comparing differentially marked peaks with RNA-Seq data, we identified peaks associated with genes: 155 DT-responsive peaks with 118 DT-responsive genes, 121 DTHT-responsive peaks with 110 DTHT-responsive genes, and 175 HT-responsive peaks with 136 HT-responsive genes. We have identified various transcription factors involved in DT, DTHT, and HT stresses. Gene Ontology analysis using the AgriGO revealed that most genes belonged to biological processes. Most annotated peaks belonged to metabolite interconversion, RNA metabolism, transporter, protein modifying, defense/immunity, membrane traffic protein, transmembrane signal receptor, and transcriptional regulator protein families. Further, we identified significant peaks associated with TFs, hormones, signaling, fatty acid and carbohydrate metabolism, and secondary metabolites. qRT-PCR analysis revealed the relative expressions of six abiotic stress-responsive genes (transketolase, chromatin remodeling factor-CDH3, fatty-acid desaturase A, transmembrane protein 14C, beta-amylase 1, and integrase-type DNA binding protein genes) that were significantly (P < 0.05) marked during drought, heat, and combined stresses by comparing stress-induced against un-stressed and input controls. Conclusion: Our study provides a comprehensive and reproducible epigenomic analysis of drought, heat, and combined stress responses in switchgrass. Significant enrichment of H3K4me3 peaks downstream of the TSS of protein-coding genes was observed. In addition, the cost-effective experimental design, modified ChIP-Seq approach, and analyses presented here can serve as a prototype for other non-model plant species for conducting stress studies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Metastability and Degradation of CdTe Solar Cells Investigated by nm-Scale Electrical Potential Imaging

We report on investigations of reversible metastability and irreversible degradation of MZO/CdSeTe/CdTe devices from the perspective of electric field across the device using Kelvin probe force microscopy (KPFM). The device showed reversible transitions between the light-soak state (LSS) with the best device efficiency and the dark-soak state (DSS) with an inferior efficiency. However, it showed an irreversible degradation state (DgS) driven by long-hour light soaking at an elevated temperature. The nm-scale KPFM electric field imaging on cross-sections of the devices revealed different anomalous electric field profiles. The electric field at the LSS exhibits a main peak inside the CdSeTe layer but not at the MZO/CdSeTe heterointerface, demonstrating that working junction of the device is a buried homojunction (BHJ). At the DSS, a second electric field peak was observed at the MZO/CdSeTe interface with a similar strength to the main BHJ, which probably caused the decrease in fill factor at the DSS. At the DgS, the electric field peak at the MZO/CdSeTe interface increased significantly and a third electric field was measured at the back contact of the device. Device modeling using COMSOL and in alignment with both the electric field and device current-voltage curves suggest that a slightly low n-doped CdSeTe in the region near the MZO/CdSeTe interface caused the BHJ, and that either a loss of MZO doping or increase of the conduction band offset spike due to long-term stress caused the fill factor-dominated degradation and the increased electric field near the MZO/CdSeTe interface at the DgS. The former, MZO doping decrease, is more plausible by referring the related literature.

BHJ↗
DOE OSTI2020

Hot Electron Driven Photocatalysis on Plasmon-Resonant Grating Nanostructures

Here, we demonstrate the hot electron injection of photoexcited carriers in an Ag-based plasmon resonant grating structure. By varying the incident angle of irradiation, sharp dips are observed in the reflectance with p-polarized light (electric field perpendicular to grating lines) when there is wavevector matching between the incident light and the plasmon resonant modes of the grating and no angle dependence is observed with s-polarized light. This configuration enables us to compare photoelectrochemical current produced by plasmon resonant excitation with that of bulk metal interband absorption simply by rotating the polarization of the incident light while keeping all other parameters of the measurement fixed. With 633 nm light, we observed a 12-fold enhancement in the photocurrent (i.e., reaction rate) between resonant and nonresonant polarizations at incident angles of ±7.6° from normal. At 785 nm irradiation, we observed similar resonant profiles to those obtained with 633 nm wavelength light but with a 44-fold enhancement factor. Using 532 nm light, we observed two resonant peaks (with approximately 10× enhancement) in the photocurrent at 19.4° and 28.0° incident angles, each corresponding to higher order modes in the grating with more nodes per period. The lower enhancement factors observed at shorter wavelengths are attributed to interband transitions, which provide a damping mechanism for the plasmon resonance. Finite difference time domain (FDTD) simulations of these grating structures confirm the resonant profiles observed in the angle-dependent spectra of these gratings and provide a detailed picture of the electric field profiles on and off resonance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structural Color Production in Melanin-Based Disordered Colloidal Nanoparticle Assemblies in Spherical Confinement

Melanin is a ubiquitous natural pigment that exhibits broadband absorption and high refractive index. Despite its widespread use in structural color production, how the absorbing material, melanin, affects the generated color is unknown. Using a combined molecular dynamics and finite-difference time-domain computational approach, here we investigates structural color generation in one-component melanin nanoparticle-based supraparticles (called supraballs) as well as binary mixtures of melanin and silica (nonabsorbing) nanoparticle-based supraballs. Experimentally produced one-component melanin and one-component silica supraballs, with thoroughly characterized primary particle characteristics using neutron scattering, produce reflectance profiles similar to the computational analogs, confirming that the computational approach correctly simulates both absorption and multiple scattering from the self-assembled nanoparticles. These combined approaches demonstrate that melanin's broadband absorption increases the primary reflectance peak wavelength, increases saturation, and decreases lightness factor. Additionally, the dispersity of nanoparticle size more strongly influences the optical properties of supraballs than packing fraction, as evidenced by the production of a larger range of colors when size dispersity is varied versus packing fraction. For binary melanin and silica supraballs, the chemistry-based stratification allows for more diverse color generation and finer saturation tuning than does the degree of mixing/demixing between the two chemistries.

broadband absorption↗
DOE OSTI2021

Measurement of 227 Ac impurity in 225 Ac using decay energy spectroscopy

225 Ac is a valuable medical radionuclide for targeted $\alpha$ therapy, but 227 Ac is an undesirable byproduct of an accelerator-based synthesis method under investigation. Sufficient detector sensitivity is critical for quantifying the trace impurity of 227 Ac, with the 227 Ac/ 225 Ac activity ratio predicted to be approximately 0.15% by end-of-bombardment (EOB). Superconducting transition edge sensor (TES) microcalorimeters offer high resolution energy spectroscopy using the normal-to-superconducting phase transition to measure small changes in temperature. By embedding 225 Ac production samples in a gold foil thermally coupled to a TES microcalorimeter we can measure the decay energies of the radionuclides embedded with high resolution and 100% detection efficiency. This technique, known as decay energy spectroscopy (DES), collapses several peaks from $\alpha$ decays into single Q-value peaks. In practice there are more complex factors in the interpretation of data using DES, which we will discuss in this paper. Using this technique we measured the EOB 227 Ac impurity to be (0.142 ± 0.005)% for a single production sample. This demonstration has shown that DES is a useful tool for quantitative measurements of complicated spectra.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Analyzing historical snow trends in interior Alaska

Study region The Chena River watershed in Interior Alaska, USA Study focus This study examines 40 years (water years 1982–2021) of snowpack characteristics to consider its hydrological implications in the 5350 km² Chena River basin. Using observations and a fine-scale physics model, we analyzed trends of snow water equivalent (SWE), snow onset and disappearance, and snow cover duration (SCD). New hydrological insights for the region Results indicate a decline in SWE across the modeled domain, averaging a decrease of 3 mm per decade, with larger decreases (up to 10 mm per decade) at lower elevations. While domain-averaged SWE trends were not statistically significant, observed SCD showed statistically significant decreases: −5.2, −5.0, and −4.4 days per decade at Teuchet Creek, Fairbanks F.O., and Little Chena Ridge, respectively. Notably, observations at SNOTEL stations and modeling revealed no statistically significant change in domain-averaged Rain-on-Snow (ROS) events over the 40-year period, contrasting some regional future estimates of increased ROS frequency. Peak streamflow did not consistently correlate with peak SWE levels, suggesting that other environmental factors such as ROS events and rapid temperature increases (e.g., a 10°C spike observed in 1992) are key drivers of hydrological outcomes. These findings improve understanding of complex subarctic hydrological processes impacting permafrost and highlight the need for adaptive water resource management to mitigate multi-factor risks like flooding and wildfire, requiring proactive planning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Modeling the Potential Impact of Storage on the US Power Sector in a Multisector Dynamic Context

The electric power sector is expected to grow in size, importance, and complexity around the world as economies expand and electric supply technologies and demand patterns evolve in significant ways. At the same time the electric power sector may see substantial increases in VRE generating technologies which can add variability and uncertainty to the diurnal and seasonal profile of electric supply. With these forces in play, the emergence of modular, flexible electricity storage technologies may have profound impacts on the operation of electric power systems. Here we reduce a storage modeling gap in MSD models by incorporating grid-based electricity storage into the electric sector dynamics of the Global Change Analysis Model-USA (GCAM-USA) with improved power sector representation. We find a potentially significant role for storage technologies in the future of the U.S. power system, with storage capacity ranging from 7.7 to 14.7 GW in 2050 and 13.9 to 31.6 GW in 2100 across several techno-economic scenarios. We also find that storage can help to smooth variability in residual load arising from evolving electricity demands and the introduction of high shares of VRE to the electric grid. This reduces reliance on high-cost peaking generators, improves system-wide capacity factors, and limits curtailment of VRE.

Patel, Pralit L.↗
DOE OSTI2025

Consequence analyses of sabotage-induced radiological releases in high-temperature helium-cooled prismatic microreactors

Here, this study analyzes the radiological dose consequences of sabotage-induced accidents at three high-temperature helium-cooled prismatic microreactors (HTPMs) with thermal power ratings of 1, 10, and 50 MWt. Each HTPM employs uranium oxycarbide tristructural isotropic fuel enriched to 19.75 wt% high-assay low-enriched uranium. Simulations were conducted to estimate reactor core inventory at the point of fuel discharge––when the effective multiplication factor reduced to less than 1––representing peak radionuclide inventory. Postulated sabotage scenarios leading to reactor shutdown were analyzed at two intervals: immediately post-shutdown (0 h) and 3 days after shutdown using the SCALE code for radionuclide inventories and the RASCAL tool for dose consequences. Results show that although HTPMs benefit from inherent safety features and robust fuel design, radiological consequences scale with reactor power because of increased source term inventories. Smaller microreactors exhibited proportionally lower dose consequences. To support the economic and regulatory feasibility of microreactor deployment, this study emphasizes the value of a risk-informed, performance-based approach, as supported by regulations like 10 CFR Parts 100 and 53 in the United States. Microreactor developers should perform site-specific assessments of potential sabotage or low-probability, high-consequence events, especially when considering minimal on-site or full off-site emergency response.

Consequence↗
DOE OSTI2022

Thermoelectric Performance of the 2D Bi 2 Si 2 Te 6 Semiconductor

Bi 2 Si 2 Te 6 , a 2D compound, is a direct band gap semiconductor with an optical band gap of 0.25 eV, and is a promising thermoelectric material. Single-phase Bi 2 Si 2 Te 6 is prepared by a scalable ball-milling and annealing process and the highly densified polycrystalline samples are prepared by spark plasma sintering. Bi 2 Si 2 Te 6 shows a p-type semiconductor transport behavior and exhibits an intrinsically low lattice thermal conductivity of ~0.48 Wm -1 K -1 (cross-plane) at 573 K. The first-principles density functional theory calculations indicate that such low lattice thermal conductivity is derived from the interactions between acoustic phonons and low-lying optical phonons, local vibrations of Bi, the low Debye temperature and strong anharmonicity result from the unique 2D crystal structure and metavalent bonding of Bi 2 Si 2 Te 6 . The Bi 2 Si 2 Te 6 exhibits an optimal figure of merit ZT of ~0.51 at 623 K, which can be further enhanced by the substitution of Bi with Pb. Pb doping leads to a large increase in power factor S 2 σ, from ~4.0 μWcm -1 K- 2 of Bi 2 Si 2 Te 6 to ~8.0 μWcm -1 K -2 of Bi 1.98 Pb 0.02 Si 2 Te 6 at 775 K, owing to the increase in carrier concentration. Moreover, Pb doping induces a further reduction in the lattice thermal conductivity to ~0.38 Wm -1 K -1 (cross-plane) at 623 K in Bi 1.98 Pb 0.02 Si 2 Te 6 ,. The simultaneous optimization of the power factor and lattice thermal conductivity achieves a peak ZT of ~0.90 at 723 K and a high average ZT of ~0.66 at 400–773 K in Bi 1.98 Pb 0.02 Si 2 Te 6 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

Nanoscale structure of a hybrid aqueous–nonaqueous electrolyte

A new class of electrolytes have been reported, hybridizing aqueous with non-aqueous solvents, which combines non-flammability and non-toxicity characteristics of aqueous electrolytes with the superior electrochemical stability of non-aqueous systems. Here, we report measurements of the structure of an electrolyte composed of an equal-mass mixture of 21 m LiTFSI-water and 9 m LiTFSI-dimethyl carbonate using high-energy x-ray diffraction and polarized neutron diffraction with isotope substitution. Neutron structure factors from partially and fully deuterated samples exhibit peaks at low scattering vector Q that we ascribe to long-range correlations involving both solvent molecules and TFSI − anions. Here we compare both sets of measurements with results of molecular dynamics simulations based on a polarizable force field. The structures derived from simulations are generally in agreement with those measured, except that neutron structure factors predicted for two partially deuterated samples show very intense scattering increasing up to the low- Q limit of simulation, indicating a partial segregation between the two solvents not observed in experimental measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Activated vortex lattice transition in a superconductor with combined sixfold and twelvefold anisotropic interactions

Abstract Numerical simulations are used to examine the transition dynamics between metastable and ground state vortex lattice phases in a system with combined sixfold and twelvefold contributions to the vortex–vortex interactions. The system is initially annealed using a twelvefold anisotropy, yielding domains of two different orientations and separated by grain boundaries. The vortex–vortex interaction is then suddenly changed to a sixfold anisotropy, rendering the twelvefold state metastable. Applying a drive that mimics an oscillating magnetic field causes the metastable state to decay, indicated by the structure factor that evolves from twelve to six peaks. The results fit the behavior seen in recent small-angle neutron scattering studies of the vortex lattice in MgB 2 . At higher drive amplitudes, the decay exhibits a two step process in which the initial fast decrease is followed by a slower regime where avalanches or bursts are correlated with dislocation annihilation events. The results are compared to other types of metastable systems with quenched disorder that decay under a periodic external drive.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Scheduler Modeling of IBR Plants for Providing Ancillary Services [SWR-25-16]

Inverter-based resources (IBRs) have been integral components of modern power systems and their capability in providing grid services have been widely studied. To promote the deployment of IBR grid services in real utility operation, this software proposes a scheduler model for IBRs. The energy and reserve are co-optimized in day-ahead, various ancillary services, including operating reserve provision, peak load reduction, voltage regulation and power factor control are integrated in the model.

Wang, Xiaofei [National Renewable Energy Laborator↗
DOE OSTI2026

Scheduler Modeling of Distributed Energy Resources for Providing Ancillary Services

Distribution energy resources (DERs) have been integral components of modern power systems, and their capability to provide grid services has been widely studied. To promote the deployment of these resources in providing grid services in real-world utility operations, this paper proposes a day-ahead scheduler model for a distribution system connected DER plant. A certain amount of generation capacity of this DER plant is reserved for frequency services, and some ancillary services for the distribution system-including peak load reduction, voltage regulation, and power factor control-are integrated into the model. The model is tested on a real-world distribution system. From the simulation results, the energy and reserve schedule of the solar photovoltaic (PV) unit and battery energy storage system (BESS) can be determined, and voltage and power factor are well maintained. Additionally, in order to demonstrate the specific characteristics of the co-located and hybrid operation modes for the PV and BESS, these two modes are analyzed both theoretically and through real-time simulation. Simulation results show that most of PV's variability is transferred to the net power in the co-located mode, whereas it is transferred to the BESS in the hybrid mode. This proposed scheduler model and the comparison of co-located and hybrid modes can provide practical guidance for the applications of DER plant in the real-world utility.

14 SOLAR ENERGY↗
DOE OSTI2023

Bead–Spring Simulation of Ionomer Melts—Studying the Effects of Chain-Length and Associating Group Fraction on Equilibrium Structure and Extensional Flow Behavior

Ionomers are associative polymers with diverse applications ranging from selective membranes and high-performance adhesives to abrasion- and chemical-resistant coatings, insulation layers, vacuum packaging, and foamed sheets. Within equilibrium melt, the ionic or associating groups are known to form thermally reversible, associative clusters whose presence can significantly affect the system’s mechanical, viscoelastic, and transport properties. It is, thus, of great interest to understand how to control such clusters’ size distribution, shape, and stability through the designed choice of polymer architecture and the ionic groups’ fraction, arrangement, and interaction strength. In this work, we represent linear associating polymers using a Kremer–Grest type bead–spring model and perform large-scale MD simulations to explore the effect of polymer chain-length (l) and fraction (f s ) of randomly placed associating groups on the size distribution and stability of formed clusters. We consider different chain-lengths (below and above entanglement), varying fractions of associating groups (represented by ‘sticky’ beads) between 5 and 20%, and a fixed sticky–sticky nonbond interaction strength of four times that between regular non-associating beads. For all melts containing associating groups the equilibrium structure factor S(q) displays a signature ionomer peak at low wave vector q whose intensity increases with increasing f s and l. The average cluster size Nc increases with f s . However, the effect of chain-length on Nc appears to be pronounced only at higher values of f s . Under extensional flows, the computed stress (and viscosity) is higher at higher f s and l regardless of strain rate. Beyond a critical strain rate, we observe fragmentation of the associative clusters, which has interesting effects on the stress/viscous response.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Helium ion outflow from the terrestrial ionosphere

For situations where ion outflow occurs from the topside ionosphere, steady-state solutions for the He(+) continuity, momentum, and energy equations have been obtained self-consistently, yielding density, velocity, and temperature profiles of He(+) from 200 to 2000 km altitude. The study indicates that the outflowing He(+) has density profiles of similar shape to those of H(+), for basically different reasons; the effect of the perpendicular electric field differs considerably for H(+) and He(+); the fractional heating of He(+) due to the He(+)-O(+) relative flow is not as effective in heating He(+) as the flow is in heating H(+); during magnetospheric disturbances the He(+) peak density decreases only by approximately a factor of 2; and the He(+) escape flux over the winter pole is approximately a factor of 20 greater than the He(+) escape flux over the summer pole. The possibility of interhemispheric He(+) flux from winter to summer on high-latitude closed field lines is considered.

Raitt, W. J.↗