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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Development of Methane Emissions Model to Assess Fuel Recovery Potential at Gas Well Sites Using On Site Compression

The U.S. natural gas production and consumption has increased 85.5% since 2005 primarily due to the unconventional production methods of horizontal drilling and hydraulic fracturing. Natural gas used as a fuel has a lower greenhouse gas (GHG) footprint than coal and petroleum due to lower Carbon Dioxide (CO2) emissions when combusted. However, the “greener” benefit to natural gas may be negated by leaks in production and transmission systems. Methane (CH4), the primary hydrocarbon in natural gas, has an estimated Global Warming Potential (GWP) of 28-36 over 100 years, meaning it can absorb 28-36 more energy than CO2 which has a GWP of 1.0. Natural gas well sites are prone to methane emissions, or leaks and irregular gas releases, vented to atmosphere throughout production and transmission. The U.S. Department of Energy (DOE) and the National Energy Technology Laboratory (NETL) has recently granted West Virginia University (WVU) funding under agreement DE-FOA-0002005, to “Advance technologies to mitigate methane emissions and increase the efficiency of the natural gas transportation infrastructure”. As part of this funding WVU was tasked with identifying and quantifying sources of methane emissions at unconventional well sites, processing this data, and developing a system to recapture these emissions. A 0-D Simulink model was developed, utilizing standardized methodologies, data from previously conducted studies, as well as collected data from well sites in the Marcellus shale play region. The model was developed to predict emission rates from various components at natural gas well sites as well as the potential to utilize these emissions as fuel for the natural gas powered compressor engines on-site. This model was utilized to run high, medium, and low cases for four identified emission sources, engine size, pneumatic controller count, liquid level production which dictates tank emissions, and compressor packing vent emissions. Due to discrepancies in transient tank emission data, a high and low emission factor for tanks was used, resulting in two sets of 81 executed cases, and 162 unique cases of total site emissions and potential for fuel consumption. Each of the cases were run over 86,400 seconds at a 1 Hz, representative of a full 24 hour day of operation. The fuel consumption offset an average of 557% of fuel consumption on an energy density basis across all 81 cases with the high tank emission factor with a maximum offset of 2334%. The fuel consumption offset was an average of 82.9% for all 81 cases with the low tank emission factor with a maximum offset of 337%. This study highlights flaws in the use of publicly available methane number calculations to determine natural gas’s suitability as an engine fuel as well as the lack of public data for transient liquid storage tank emissions.

03 NATURAL GAS↗
DOE OSTI2025

Real-Time Wave Energy Converter Control Using Instantaneous Frequency

Wave Energy Converters (WECs) rely on effective Power Take-Off (PTO) control strategies to maximize energy absorption under dynamic sea conditions. Traditional hydrodynamic modeling techniques may require computationally intensive convolution calculations, making real-time control implementation challenging. This paper presents an alternative approach by leveraging instantaneous frequency estimation to dynamically adjust PTO damping in response to varying wave frequencies. Two real-time frequency estimation methods are explored: the Hilbert Transform (HT) and Phase-Locked Loop (PLL). The Hilbert Transform method provides accurate frequency tracking but introduces a delayed response due to its dependence on causal data. Conversely, the PLL approach demonstrates strong potential in frequency tracking but requires careful gain tuning, particularly in complex sea states. Comparative evaluations across multiple test cases—including sinusoidal variations, amplitude steps, frequency step changes, and real-world JONSWAP spectrum waves—highlight the strengths and limitations of each method. The two different PTO control techniques across the various frequency estimation methods were tested under real-sea states using a state-space model of a point-absorbing Wave Energy Converter. The Capture Width Ratio (CWR) is used as a performance metric, with results showing that the HT achieves a 10.6% improvement, while the PLL estimation yields a 0.9% improvement relative to the fixed parameter control baseline. These results highlight the effectiveness of real-time frequency estimation in improving energy absorption compared to static control parameters.

WEC control↗
DOE OSTI2022

Benzimidazole Based Hole‐Transporting Materials for High‐performance Inverted Perovskite Solar Cells

Abstract Interfaces play a decisive role in perovskite solar cells’ power conversion efficiency and their long‐term durability. Small‐molecule hole‐transporting materials (HTMs) have grabbed enormous attention due to their structural flexibility, material properties, and stabilities, allowing for improved operational durability in perovskite photovoltaics. This study synthesizes and investigates a new class of benzimidazole‐based small molecules, named YJS001 and YJS003 , serving as the HTMs to enable high‐efficiency mixed‐cation mixed‐halide perovskite solar cells. The benzimidazole‐based materials are dopant‐free HTMs composed of donor and acceptor building blocks that are designed to engineer the energy level alignment near the HTM/perovskite interface. Mixed‐cation mixed‐halide perovskites can be grown uniformly on both HTMs with large crystalline grains. It is discovered that the donor‐rich YJS003 ‐based solar cell exhibits a high open‐circuit voltage of 1.09 V with a champion power conversion efficiency of over 20%. Power‐dependent current–voltage characteristics of the solar cells are analyzed, from which the high performance of YJS003's excellent hole mobility and well‐aligned energy level is attributed. This work introduces a new class of benzimidazole‐based small molecules as HTMs, that paves the path for dopant free interface material development for commercialization of perovskite solar cells.

14 SOLAR ENERGY↗
DOE OSTI2025

Enabling BWR fuel rod analysis in the BISON fuel performance code

Nuclear fuel vendors around the world are pursuing approaches to sustain the existing nuclear reactor fleet consisting primarily of pressurized-water reactors (PWRs) and boiling-water reactors (BWRs). To support the industry's efforts, advanced modeling and simulation tools need to be capable of analyzing both legacy reactor concepts. BWR fuel rods are significantly different than those used in PWRs, which can affect fuel performance analysis. BWR fuel rods include: (1) an extensive use of gadolinia dopant as a burnable absorber, (2) an axial variation in fuel enrichment and gadolinia content, (3) the inclusion of a liner on the inner cladding surface to mitigate the impact of pellet-clad mechanical interaction (which impacts hydrogen and hydride distribution), (4) a lower initial fill gas pressure, (5) bottom-entry control rods, and (6) a lower coolant pressure that results in the two-phase flow boiling phenomenon. Although the primary focus of BISON has been in the area of PWR and advanced reactor fuel analyses, this paper presents the developments in BISON to support BWR fuel performance analysis. An overview of the models that account for the effects of gadolinia is highlighted. Internal mesh generation capabilities to include a liner is presented. Normal operating and transient (reactivity insertion accident) demonstration problems are presented to illustrate the impact of gadolinia, the hydrogen and hydride evolution due to the presence of the liner, and BISON's ability to simulate axially varying enrichments and dopant concentration. Bottom-entry control effects are captured by the axial power peaking factors present in the demonstration cases. Comparisons to integral experiments from the Halden IFA-681 experiments are discussed as initial validation. Reasonable comparisons are obtained for fuel centerline temperature and rod internal pressure as a function of time. In conclusion, simulations of additional experiments containing Gd 2 O 3 -bearing fuel are necessary to completely validate the code for BWR applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

IAEA Photonuclear Data Library 2019

Here, photo-induced reaction cross section data are of importance for a variety of current or emerging applications, such as radiation shielding design and radiation transport analyses, calculations of absorbed dose in the human body during radiotherapy, physics and technology of fission reactors (influence of photo-reactions on neutron balance) and fusion reactors (plasma diagnostics and shielding), activation analyses, safeguards and inspection technologies, nuclear waste transmutation, medical isotope production and astrophysical applications. To address these data needs the IAEA Photonuclear Data library was produced in 1999, containing evaluated photo-induced cross sections and neutron spectra for 164 nuclides which were deemed relevant for the applications. Since the release of the IAEA Photonuclear Data Library however, new experimental data as well as new methods to assess the reliability of experimental cross sections have become available. Theoretical models and input parameters used to evaluate photo-induced reactions have improved significantly over the years. In addition, new measurements of partial photoneutron cross sections using mono-energetic photon beams and advanced neutron detection systems have been performed allowing for the validation of the evaluations and assessments of the experimental data. Furthermore, technological advances have led to the construction of new and more powerful gamma-beam facilities, therefore new data needs are emerging. We report our coordinated efforts to address these data needs and present the results of the new up-to-date evaluations included in the new updated IAEA Photonuclear Data Library consisting of 219 nuclides. The new library includes 188 new evaluations produced by the CRP evaluators, and one evaluation taken from the JENDL/PD-2016 library, while 20 evaluations were retained from the previous 1999 IAEA Photonuclear Data Library. In most of the cases, the photon energy goes up to 200 MeV. A total of 55 nuclides are new in this library reflecting the progress in measurements but also the developing data needs. In this paper we discuss the new assessment method and make recommendations to the user community in cases where the experimental data are discrepant and the assessments disagree. In addition, in the absence of experimental data, we present model predictions for photo-induced reaction cross section on nuclides of potential interest to medical radioisotope production.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Characterization of plasma catalytic decomposition of methane: role of atomic O and reaction mechanism

In this work, we investigated atmospheric pressure plasma jet (APPJ)-assisted methane oxidation over a Ni-SiO 2 /Al 2 O 3 catalyst. We evaluated possible reaction mechanisms by analyzing the correlation of gas phase, surface and plasma-produced species. Plasma feed gas compositions, plasma powers, and catalyst temperatures were varied to expand the experimental parameters. Real-time Fourier-transform infrared spectroscopy was applied to quantify gas phase species from the reactions. The reactive incident fluxes generated by plasma were measured by molecular beam mass spectroscopy using an identical APPJ operating at the same conditions. A strong correlation of the quantified fluxes of plasma-produced atomic oxygen with that of CH 4 consumption, and CO and CO 2 formation implies that O atoms play an essential role in CH 4 oxidation for the investigated conditions. With the integration of APPJ, the apparent activation energy was lowered and a synergistic effect of 30% was observed. We also performed in-situ diffuse reflectance infrared Fourier-transform spectroscopy to analyze the catalyst surface. The surface analysis showed that surface CO abundance mirrored the surface coverage of CH n at 25 °C. This suggests that CH n adsorbed on the catalyst surface as an intermediate species that was subsequently transformed into surface CO. We observed very little surface CH n absorbance at 500 °C, while a ten-fold increase of surface CO and stronger CO 2 absorption were seen. This indicates that for a nickel catalyst at 500 °C, the dissociation of CH 4 to CHn may be the rate-determining step in the plasma-assisted CH 4 oxidation for our conditions. We also found the CO vibrational frequency changes from 2143 cm –1 for gas phase CO to 2196 cm –1 for CO on a 25 °C catalyst surface, whereas the frequency of CO on a 500 °C catalyst was 2188 cm –1 . Here, the change in CO vibrational frequency may be related to the oxidation of the catalyst.

methane oxidation↗
DOE OSTI2021

Additive manufacturing of cobalt-based alloy on tool steel by directed energy deposition

Cladding hard-surfacing alloys on tool steel is an effective approach to enhance the surface properties of tool steel. In this study, a Co-based alloy was deposited on tool steel by Directed Energy Deposition (DED) following a three-factor three-level design of experiment matrix with varied laser power, scan speed, and powder flow rate. The microstructure of the deposits was characterized using scanning electron microscopy (SEM). The residual stress on the surface of the samples was measured by the X-ray diffraction (XRD) sin2? technique. The parameters that produced promising deposits were used to fabricate samples for tensile test, four-point bending test, Charpy impact test, and hardness measurement. Our result reveals that the processing parameters have a significant role in the residual stress of the coatings. Residual stress reduces with the increase of laser energy density. Cracks were found at samples with energy density below a threshold. Tensile testing of the coating/substrate combined structure reveals fracture at the coatings with an ultimate tensile strength of 633.9 ± 54.7 MPa. The bi-material interface survived the tensile test, indicating a strong interfacial bond. The four-point bending test of coating/substrate laminates shows an ultimate flexure strength of 860.6 ± 36.9 MPa. Cracks initiated from the coatings ignored the interface and penetrated the substrate, suggesting a solid bi-material bond. Charpy impact test shows the absorbed energy of coating/substrate laminates is more than doubled that of the substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials The soaring power conversion efficiency (PCE) of solution process-based organic-inorganic hybrid perovskites solar cells (PSCs) assures their membership in the competitive photovoltaic technologies. However, stability, toxicity and scalability are the three grand challenges that still impedes the market adoption of PSCs. Careful fundamental studies on how their fascinating optoelectronic properties is related to their structures may provide leads to these challenges and also spin off new applications. In this talk, I will present our recent study on the dopants, isotope and pressure effects on hybrid perovskite materials (HPMs). We discovered an interesting bipolar electron injection in LiCl-doped MAPbI 3 -based UV detectors that respond to the energy of UV photons in distinguished photocurrents polarity. We also investigated how the underline interaction between the mass of the cationic rotors and the inorganic lattice in HPMs by isotope effect. In-situ synchrotron X-ray and time-resolved photoluminescence revealed abnormal optoelectronic properties of HPMs by modulating their bond angles and bond lengths using high pressure techniques. Moreover, I will also discuss our new technology to sequestrate lead leakage on perovskite solar cells that can absorb >99% leaked Pb ions under severe device damge while without sacrificing the PCE under normal operational conditions.

Xu, Tao↗
DOE OSTI2026

Understanding Photovoltage Deficits in Electrochemically Grown Tin Sulfide (SnS) Thin-Film Photovoltaic Devices

Tin­(II) sulfide (SnS) is an earth-abundant semiconductor with a direct optical bandgap of ca. 1.1 eV, which makes it a promising absorber material for thin-film photovoltaic (PV) devices. However, existing devices have significant photovoltage deficits, which may be related to the anisotropic structure of the layered Herzenbergite SnS crystal structure. Here, we explore electrochemical deposition as a near room temperature path to oriented SnS crystal films on Mo and FTO substrates and employ vibrating Kelvin probe surface photovoltage (SPV) spectroscopy and J–V measurements to identify conversion losses in them. According to grazing-incidence X-ray diffraction and SEM, the SnS films consist of crystalline microplates with preferred orientation in the [111] and [001] directions. The bare SnS films produce only small and irreversible surface photovoltage signals, due charge trapping and recombination at the SnS surfaces, but addition of a CdS buffer layer lowers the charge recombination rate by 2 orders of magnitude and increases both the photovoltage and its reversibility due to the formation of a p-SnS/n-CdS junction. According to SPV, the FTO/SnS back interface (but not the Mo/SnS interface) forms a detrimental p–n junction that hinders hole transfer. Additional shunting through the relatively open microcrystal SnS layers and a lower conductivity of the FTO substrate explain the low power conversion efficiencies of the final devices (0.18 and 0.10% for the Mo and FTO substrates). Altogether, this work establishes a low-temperature path for the fabrication of crystalline SnS film-based solar cells and identifies the bottlenecks that limit high photoconversion efficiency.

deposition↗
DOE OSTI2024

Dielectric and magnetic properties of microwave-absorbing FeAl x O y catalysts fabricated via solution combustion synthesis

Iron-based alumina (FeAl x O y ) nanocomposites are microwave-absorbers and catalysts, which makes them promising for emerging microwave-assisted thermocatalytic technologies. Solution combustion synthesis (SCS) has been used to synthesize FeAl x O y powders, and prior work has demonstrated that adjusting SCS parameters significantly changes phase composition and specific surface area of the products. However, it is unclear how synthesis parameters affect their microwave-absorbing properties, which are essential for optimizing microwave-assisted technologies. To address this challenge, in the present work, twelve different FeAl x O y products were synthesized at different combinations of the SCS parameters such as two fuels (citric acid and glycine), two heating modes (hotplate and muffle furnace), and three Fe:Al molar ratios (2:1, 1:1, 1:2). Dielectric and magnetic properties of the products were characterized using a network analyzer and a vibrating sample magnetometer. Based on the measured permittivity and permeability, penetration depth and reflection loss were calculated as a function of frequency and bed thickness. The products were heated by microwaves at 2.45 GHz and then examined with X-ray diffraction (XRD) analysis. For all products, the magnetic saturation was lower than for bulk iron oxides because of the small crystallite size and aluminum substitution. The use of glycine induced high dielectric losses and enabled fast microwave-heating rates compared to citric acid. Higher Fe:Al ratio also led to higher dielectric and magnetic losses. With glycine fuel, SCS in a furnace induced larger penetration depth and lower microwave absorption than SCS on a hotplate. The minimization of reflected power was more sensitive to the thickness of the product bed than to the frequency of the electromagnetic field. Post-heating XRD analysis revealed different phase transformations in the FeAl x O y powders depending on the SCS parameters. As a result, an FeAl x O y material, synthesized via incipient wetness impregnation, lacked magnetic losses and did not heat well as compared to the SCS products.

Combustion synthesis↗
DOE OSTI2023

The Case for and Against a Gadolinium Bias in SCALE: Round 2

The “Opening Arguments” for and against a gadolinium bias in SCALE were presented at the American Nuclear Society Annual Meeting in Philadelphia, Pennsylvania, in June, 2018. Some critical experiments included in the Oak Ridge National Laboratory Verified, Archived Library of Inputs and Data (VALID) indicate a significant bias as a function of gadolinium concentration. Other experiments indicate that no significant bias exists. The work presented here develops a larger suite of gadolinium-bearing benchmark models to further examine code, data, and benchmark performance. The new benchmark models have been reviewed for accuracy, but documentation and review for addition to the VALID library have not been completed. The problematic benchmarks included in VALID are HEU-SOL-THERM-014 and -016. These are two evaluations from a series of experiments from the Institute for Physics and Power Engineering (IPPE), Russia, documented in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The entire set of evaluations also includes HEU-SOL-THERM-015, -017, -018, -019, and -025. Each evaluation contains a different uranium concentration, and different configurations within each evaluation include different gadolinium concentrations. These 7 evaluations contain a total of 52 configurations and form the largest subset of experiments considered, and they allow for a more complete assessment of the performance of these benchmarks than has historically been possible using just the HEU-SOL-THERM-014 and -016 results. Additional solution experiments are considered, including MIX-SOL-THERM-006 and -007 and PU-SOL-THERM-034. MIX-SOL-THERM-007 is in the VALID library, whereas MIX-SOL-THERM-006 and PU-SOL-THERM-034 are not. The results for MIX-SOL THERM-007 have not shown a gadolinium trend. These mixed- and plutonium-fueled solutions include 28 configurations. Some experiments including solid fuel and solid gadolinium are also included. These experiments include highly enriched uranium (HEU) foils moderated with polyethylene in HEU-MET-THERM-010, -016, and -034, and low enriched uranium (LEU) pin arrays with gadolinia absorber rods in LEU-COMP THERM-036 and -043. A total 32 cases with solid fuel are included. The IPPE solution benchmarks show a fairly high degree of variability, but no clear trend as a function of gadolinium concentration can be observed. The mixed- and plutonium-fueled solutions show less variability than the HEU solutions and also no trend relative to gadolinium concentration. The solid-fueled experiments also show no trend as a function of gadolinium content. The entire set of benchmarks shows no clear trend on gadolinium content or the energy of the average neutron lethargy causing fission.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

The impact of the $\text{WHIM}$ on the $\text{IGM}$ thermal state determined from the low- z Lyman $\alpha$ forest

At z ≲ 1, shock heating caused by large-scale velocity flows and possibly violent feedback from galaxy formation, converts a significant fraction of the cool gas (T ~ 10 4 K) in the intergalactic medium (IGM) into warm–hot phase (WHIM) with T > 10 5 K, resulting in a significant deviation from the previously tight power-law IGM temperature–density relationship, T = T 0 (P/$\bar{p}$) γ-1 ⁠. This study explores the impact of the WHIM on measurements of the low-z IGM thermal state, [T 0 , γ], based on the b–NH 1 distribution of the Ly α forest. Exploiting a machine learning-enabled simulation-based inference method trained on Nyx hydrodynamical simulations, we demonstrate that [T 0 , γ] can still be reliably measured from the b–NH 1 distribution at z = 0.1, notwithstanding the substantial WHIM in the IGM. To investigate the effects of different feedback, we apply this inference methodology to mock spectra derived from the IllustrisTNG and Illustris simulations at z = 0.1. The results suggest that the underlying [T 0 , γ] of both simulations can be recovered with biases as low as |Δlog(T 0 /K)| ≲ 0.05 dex, |Δγ| ≲ 0.1, smaller than the precision of a typical measurement. Given the large differences in the volume-weighted WHIM fractions between the three simulations (Illustris 38 percent, IllustrisTNG 10 percent, and Nyx 4 per cent), we conclude that the b–N H1 distribution is not sensitive to the WHIM under realistic conditions. Finally, we investigate the physical properties of the detectable Ly α absorbers, and discover that although their T and Δ distributions remain mostly unaffected by feedback, they are correlated with the photoionization rate used in the simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Understanding and improving model representation of aerosol optical properties for a Chinese haze event measured during KORUS-AQ

KORUS-AQ was an international cooperative air quality field study in South Korea that measured local and remote sources of air pollution affecting the Korean Peninsula during May–June 2016. Some of the largest aerosol mass concentrations were measured during a Chinese haze transport event (24 May). Air quality forecasts using the WRF-Chem model with aerosol optical depth (AOD) data assimilation captured AOD during this pollution episode but overpredicted surface particulate matter concentrations in South Korea, especially PM 2.5 , often by a factor of 2 or larger. Analysis revealed multiple sources of model deficiency related to the calculation of optical properties from aerosol mass that explain these discrepancies. Using in situ observations of aerosol size and composition as inputs to the optical properties calculations showed that using a low-resolution size bin representation (four bins) underestimates the efficiency with which aerosols scatter and absorb light (mass extinction efficiency). Besides using finer-resolution size bins (8–16 bins), it was also necessary to increase the refractive indices and hygroscopicity of select aerosol species within the range of values reported in the literature to achieve better consistency with measured values of the mass extinction efficiency (6.7 m 2 g –1 observed average) and light-scattering enhancement factor (ƒ(RH)) due to aerosol hygroscopic growth (2.2 observed average). Furthermore, an evaluation of the optical properties obtained using modeled aerosol properties revealed the inability of sectional and modal aerosol representations in WRF-Chem to properly reproduce the observed size distribution, with the models displaying a much wider accumulation mode. Other model deficiencies included an underestimate of organic aerosol density (1.0 g cm –3 in the model vs. observed average of 1.5 g cm –3 ) and an overprediction of the fractional contribution of submicron inorganic aerosols other than sulfate, ammonium, nitrate, chloride, and sodium corresponding to mostly dust (17 %–28 % modeled vs. 12 % estimated from observations). These results illustrate the complexity of achieving an accurate model representation of optical properties and provide potential solutions that are relevant to multiple disciplines and applications such as air quality forecasts, health impact assessments, climate projections, solar power forecasts, and aerosol data assimilation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Advanced absorber heat integration via heat exchange packings

A rate-based model of an absorption column was developed and used to analyze several intercooling strategies utilizing “heat exchange packings.” These packings are capable of removing heat from the column and transferring it to a cooling fluid within the packing. For absorption of CO 2 into aqueous monoethanolamine under industrial conditions, intercooling via heat exchange packings placed along 10–20% of the column could reduce the column height by ~15%. The height of these columns was close to the minimum theoretical value, calculated by numerically optimizing the temperature profile. Effective intercooling could also be achieved by using the cool, rich solvent as the cooling fluid. This reduces the cooling load and facilitates recovery of waste heat. Heat exchange packings could also be used to redistribute heat within the column, reducing the column height with no net cooling load. However, this approach requires larger heat transfer coefficients than have been experimentally observed.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

On-Device Lead Detention for Perovskite Solar Cells

As the power conversion efficiency (PCE) of perovskite solar cells (PSCs) have reached above 25.5%, the commercialization of PSCs appears to be imminent due to its lower fabrication cost, simpler manufacturing processes, and larger processing area over Si-based solar cells that dominate the current photovoltaic (PV) market. While many efforts have focused on tackling the stability and scalability issues with promising advances, the potential lead (Pb) toxicity issue has remained a concern of PSCs. Unlike the metallic Pb, the Pb 2+ in perovskite generally exhibit high solubility in water. However, Pb 2+ has so far appeared to be a necessary component in all high-efficiency PSCs. Handful methods have been explored to mitigate the potential Pb2+ leaking issue, which can be generally categorized as physical encapsulation and our pioneering chemical absorption method, which was extended by others later. Since device damage is inevitable in outdoor conditions, physical encapsulation alone is not sufficient to mitigate the long-term risk of leakage of soluble Pb 2+ to the environment under severe weather conditions. As a result, the chemical absorption approach has recently attracted significant attention as a more effective solution to confine the potential lead leakage. Hence, it is of great value to develop durable and highly efficient Pb-absorbing components that can be conveniently mounted onto the standard PSC stack as an add-on accessory in line with the encapsulation of PSCs instead of modifying the standard device fabrication and/or device configuration.

14 SOLAR ENERGY↗
DOE OSTI2025

The Impact of Carotenoid Energy Levels on the Exciton Dynamics and Singlet–Triplet Annihilation in Isolated Bacterial Light-Harvesting 2 Complexes

The light-harvesting 2 (LH2) complex of purple phototrophic bacteria plays a critical role in absorbing solar energy and distributing the excitation energy. Exciton dynamics within LH2 complexes are controlled by the structural arrangement and energy levels of the bacteriochlorophyll (BChl) and carotenoid (Car) pigments. However, there is still debate over the competing light-harvesting versus energy-dissipation pathways. In this work, we compared five variants of the LH2 complex from genetically modified strains of Rhodobacter sphaeroides, all containing the same BChls but different Cars with increasing conjugation: zeta-carotene (N = 7; LH2 Zeta ), neurosporene (N = 9; LH2 Neu ), spheroidene (N = 10; LH2 Spher ), lycopene (N = 11; LH2 Lyco ), and spirilloxanthin (N = 13; LH2 Spir ). Absorption measurements confirmed that the Car excited-state energy decreased with increasing conjugation. Similarly, fluorescence spectra showed that the B850 BChl emission peak had an increasing red shift from LH2 Zeta →(LH2 Neu /LH2 Spher )→LH2 Lyco →LH2 Spir . In contrast, time-resolved fluorescence and ultrafast transient absorption (fs-TA) revealed similar excited-state lifetimes (∼1 ns) for all complexes except LH2 Spir (∼0.7 ns). From fs-TA analysis, an additional ∼7 ps nonradiative dissipation step from B850 BChl was observed for LH2 Zeta . Further, singlet− singlet and singlet−triplet annihilation studies showed a ∼50% average fluorescence lifetime reduction in LH2Zeta at high laser power and high repetition rate, compared to ∼10−15% reductions in LH2 Neu /LH2 Spher /LH2 Lyco and minimal lifetime change in LH2 Spir . In LH2 Zeta , the fastest decay component (<50 ps) became prominent at high repetition rates, consistent with strong singlet−triplet annihilation. Nanosecond TA measurements revealed long-lived (>40 μs) BChl triplet states in LH2 Zeta and signs of damage caused by singlet oxygen, whereas other LH2s showed faster triplet quenching (∼18 ns) by Cars. These findings highlight a key design principle of LH2 complexes: the Car triplet energy must be significantly lower than the BChl triplet energy to efficiently quench BChl triplets that otherwise act as potent “trap states,” causing exciton annihilation in laser-based experiments or photodamage in native membranes.

Absorption↗
DOE OSTI2024

Thermal aging effects on crosslinked polyethylene cable insulation with decabromodiphenyl ether flame retardant alternative

Decabromodiphenyl ether (decaBDE) has been extensively used as a flame retardant in several applications, including nuclear electrical cable insulation. However, decaBDE has been identified as a persistent, bioaccumulative and toxic (PBT) substance, leading to regulatory scrutiny. The Environmental Protection Agency (EPA) published a regulation on January 6, 2021, aimed at phasing out the manufacturing, processing, and distribution of decaBDE. This rule set a compliance deadline of March 8, 2021, for the manufacture and processing of decaBDE, and an extended deadline of January 6, 2023, for specific applications including wire and cable insulation in nuclear power generation facilities. In response to such regulations, RSCC, a major supplier of safety-related electrical cables and associated products to the U.S. nuclear industry updated the formula of their crosslinked polyethylene (XLPE) insulation to replace the historically used decaBDE flame retardant with an acceptable alternative. This change from the previous decaBDE-containing XLPE prompted interest in comparative performance of the two material formulations, especially with respect to characteristics relevant to safety-related function such as thermal and radiation resistance. RSCC graciously provided samples of wire insulated with the decaBDE-containing XLPE formulation and corresponding wire insulated with XLPE of the new formulation, containing a decaBDE alternative. In this work we compare characteristics of the two formulations and a previously produced commercial version of the RSCC decaBDE-containing XLPE insulation subjected to thermal aging at 150 °C and 165 °C. The comparison was focused on mechanical durability, thermal stability in the oxidative environment, and chemical structures. Briefly, • Tensile elongation at break (EAB) results showed loss of mechanical elasticity with longer aging time, as expected. Aging time dependence of EAB did not differ between the decaBDE-containing and decaBDE-alternative samples. • Subtle differences between the two materials can be detected from Fourier-transform infrared spectroscopy (FTIR) absorbance spectra in the range below 1700 cm -1 , are assumed to be related to decomposition of flame retardant additives during thermal aging. • The oxidation induction time (OIT) data seemed to show that the unaged decaBDE-containing XLPE material is more thermally stable than the unaged decaBDE-alternative material, but the discrepancy in OIT decreased with aging time and the OIT values of the two materials became similar starting with the 4 th day of aging at 165 °C. This thermal aging investigation confirmed that the mechanical durability, a key property monitored for cable qualification, was not significantly affected by the modification of the formulation with a decaBDE alternative flame-retardant system in the investigated thermal aging conditions. Further studies on the same sets of materials exposed to thermal and gamma radiation aging would further inform comparison of the materials safety-related function.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impacts of LEU+ and ATF on Fresh Fuel Storage Criticality Safety

The use of increased fuel enrichment, which is still in the realm of low-enriched uranium (LEU) fuel, has been of interest to commercial light water reactor operators as part of the next iteration in fuel cycle technological advances and research and development. Using increased enrichment fuel, or high-assay LEU (HALEU), in power plants has clear benefits for being able to load cores with additional power-producing fuel. Although HALEU enrichments can range up to 20%, the more guarded approach of investigating enrichments above current fuels within 10% enrichment is referred to as LEU plus (LEU+) to reflect the less drastic change in operating conditions and requirements and similarity to current fuel cycles. Of additional interest and increasing maturity is the incorporation of accident-tolerant fuel (ATF) concepts, which are also applicable to the current fleet. This class of technologies involves changes such as cladding (e.g., chromium coating or FeCrAl) and fuel composition (e.g., chromia dopant) alterations to demonstrate improved fuel performance under accident scenarios. The ability to properly store fuel before and after residence time in the reactor is crucial to plant operation. Typically, this is done in either a new fuel vault (NFV) or spent fuel pool (SFP). Storing, loading, and unloading dozens of fuel assemblies within the same general area provides opportunities for obvious criticality concerns. These concerns are addressed with regulations to the subcriticality margin that the NFV and SFP must maintain in certain conditions. Adopting LEU+ fuel results in inherent reactivity increases, which are extremely relevant for safe fuel storage. Therefore, a clear understanding of the effects of LEU+ fuel and ATF on criticality safety margins to regulatory limits is required, as well as an understanding of the degree of absorber crediting under normal and accident conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗