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DOE OSTI2021

Generation of Bright Soft X-ray Laser Beams (Final Report)

The project goal was to demonstrate new compact soft x-ray lasers emitting high energy ultrashort pulses at shorter wavelengths and increased repetition rates by amplification in atomic transitions in high density laser-created plasmas. To demonstrate these lasers we developed new high power solid state lasers. The project succeeded in demonstrating the shortest wavelength compact soft x-ray laser to date, 6.85 nm wavelength, and the highest repetition rate table-top soft x-ray laser, 400 Hz. We also applied these compact soft x-ray laser sources to determine the composition of materials with nanoscale resolution using a new technique that combines soft x-ray laser ablation with mass spectrometry, and we demonstrated that these lasers are capable of acquiring nanoscale resolution holograms with picosecond time resolution. The combination of an increased pumping efficiency with increased repetition rates can yield soft x-ray laser beams with an unprecedented average power on a table-top for applications demanding a high photon flux. We have demonstrated that the efficiency of plasma-based laser-pumped soft x-ray lasers can be significantly increased by detailed pulse shaping of the pump laser using a new pulse synthesizer. Results include the demonstration of 18.9 nm wavelength laser operation at a record 400 Hz repetition rate, and the extension of repetitive gain-saturated plasma-based table-top x-ray lasers to the shortest wavelength to date, 6.85 nm. Laser amplification was also observed at wavelengths as short at 5.8 nm by isolectronic scaling in Ni-like lanthanide ions. We have also conducted simulations to explore the possibility of demonstrating gain saturated atomic x-ray lasers near the carbon K-edge, in the “carbon window” for the first time. The work conducted under this program also includes the use of compact soft x-ray lasers in applications to problems of chemical interest, such as isotopic composition mapping of micron-size uranium particles with nanoscale resolution, and nanoscale resolution depth profiling analysis of CoNCN-coated electrodes for water oxidation catalysis. We also demonstrated single-shot high resolution soft x-ray Fourier transform holography over a broad 7 µm diameter field of view with ~ 5 ps temporal resolution.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Unveiling the Electrocatalytic Hydrogen Evolution Reaction Pathway on RuP 2 through Ab Initio Grand Canonical Monte Carlo

In this study, the high catalytic reactivity of ruthenium phosphide (RuP 2 ) has been identified by first-principles density functional theory (DFT) calculations for the electrocatalytic hydrogen evolution reaction (HER). Complex surface reconstructions are considered by applying the ab initio grand canonical Monte Carlo (ai-GCMC) algorithm, efficiently providing a sufficient phase-space exploration of possible surfaces. Combined with surface-phase Pourbaix diagrams, we are able to identify the actual surfaces that obtained under specific experimental environments, thus leading to a more accurate understanding of the nature of the active sites and the binding strength of adsorbates. Specifically, through hundreds of surface reconstructions and hydrogenation states generated with ai-GCMC, we identify the most favorable surface phases of RuP 2 under aqueous acidic conditions. We discover that the HER activity is determined by multiple surfaces with different stoichiometries within a narrow electrode potential window. Low HER overpotential (η) has been found for each of the identified surfaces, as low as 0.04 V. High H-coverage reconstructed surfaces have been discovered under acidic conditions, and the surface Ru sites introduced by additional Ru adatoms or exposed by P-vacancies serve as the active sites for HER based on their nearly reversible H binding. Furthermore, this work provides atomistic insights into the origin of high HER activity on RuP 2 by exploring the dynamic surface phases of electrocatalysts and features a generalizable method to explore the reconstructed/hydrogenated surface space as a function of experimental conditions.

25 ENERGY STORAGE↗

DOE OSTI2020

An Integrated Energy Systems Prototype Human-System Interface for a Steam Extraction Loop System to Support Joint Electricity-Hydrogen Flexible Operations

Due to increasing economic competition from renewables and combined-cycle natural gas plants, nuclear power plants are looking toward flexible operations to enhance their cost competitiveness. The Integrated Energy Systems project under the Light Water Reactor Sustainability program of the U.S. Department of Energy focuses on joint electricity-hydrogen flexible operations. Joint electricity-hydrogen flexible operations entail the nuclear power plant diverting thermal energy via main steam to a hydrogen production plant located nearby. The steam serves to enhance the efficiency of the hydrogen production. Furthermore, high temperature electrolysis requires a large amount of electricity, which the plant can also provide. The plant provides steam and electricity to the hydrogen plant throughout the day, but during peak demand hours the nuclear power plant returns to solely providing electricity to meet the high demand. Through this flexible concept of operations, the plant can optimize the thermal energy it produces without having to maneuver the power of the plant. This report documents the human factors process to design and develop a prototype human-system interface for the steam extraction loop that serves as the conduit between the nuclear power plant and the adjacent hydrogen plant. The design process followed the human factors guidelines set by NUREG-0711, Human Factors Engineering Program Review Model (O’Hara, Higgins, & Fleger, 2012), and expanded upon by the Guideline for Operational Nuclear Usability and Knowledge Elicitation (GONUKE; Boring, Ulrich, Joe, & Lew, 2015; Boring, Lew, & Ulrich, 2016). The design process entailed operator interviews to determine the concept of operations for the steam extraction loop, a review and adaptation of digital interface design concepts developed by the team in prior projects, an iterative design process, and reviews conducted by both operators and human factors experts. Several versions of the prototype human-system interface were developed. Operators were interviewed to determine what design features they found useful and would like to see in the interface. The design underwent a review by human factors experts against NUREG-0700, Human Interface Design Review Guidelines (U.S. Nuclear Regulatory Commission, 2019), to ensure compliance with the latest human factors standards for digital interfaces in nuclear applications. The design was then prototyped as a functional windows-based application integrated with the Generic Pressurized Water Reactor simulator modified to include the steam extraction loop. The simulation is supported by the Human Systems Simulation Laboratory at Idaho National Laboratory, which supports operator-in-the-loop testing. This is an ongoing project and the next phase of the project entails performing an operator-in-the-loop usability study to evaluate the interface and examine the proposed concept of operations to extraction steam from the nuclear power plant for delivery to the coupled hydrogen production plant.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1999

The MECA Payload as a Dust Analysis Laboratory on the MSP 2001 Lander

In a companion abstract, the "Mars Environmental Compatibility Assessment" (MECA) payload for Mars Surveyor Program 2001 (MSP 2001) is described in terms of its capabilities for addressing exobiology on Mars. Here we describe how the same payload elements perform in terms of gathering data about surface dust on the planet. An understanding of the origin and properties of dust is important to both human exploration and planetary geology. The MECA instrument is specifically designed for soil/dust investigations: it is a multifunctional laboratory equipped to assess particulate properties with wet chemistry, camera imagery, optical microscopy (potentially with LTV fluorescence capability), atomic force microscopy (AFM; potentially with mineral-discrimination capabilities), electrometry, active & passive external materials-test panels, mineral hardness testing, and electrostatic & magnetic materials testing. Additionally, evaluation of soil chemical and physical properties as a function of depth down to about 50 cm will be facilitated by the Lander/MECA robot arm on which the camera (RAC) and electrometer are mounted. Types of data being sought for the dust include: (1) general textural and grain-size characterization of the soil as a whole --for example, is the soil essentially dust with other components or is it a clast-supported material in which dust resides only in the clast interstices, (2) size frequency distribution for dust particles in the range 0.01 to 10.00 microns, (3) particle-shape distribution of the soil components and of the fine dust fraction in particular, (4) soil fabric such as grain clustering into clods, aggregates, and cemented/indurated grain amalgamations, as well as related porosity, cohesiveness, and other mechanical soil properties, (5) cohesive relationship that dust has to certain types of rocks and minerals as a clue to which soil materials may be prime hosts for dust "piggybacking", (6) particle, aggregate, and bulk soil electrostatic properties, (7) particle hardness, (8) particle magnetic properties, (9) bulk dust geochemistry (solubility, reactivity, ionic and mineral species). All of these quantities are needed in order for the human exploration program to make assessments of hazards on Mars, and to better enable the production on earth, of soil/dust simulants that can act as realistic test materials in terms of those properties that render dust a contaminant.Such properties include the small grain size that enables penetration of space-suit joints, mechanical interfaces and bearings, seals, etc., and presents difficulty for filtration systems. Size also plays a critical role in the potential for lung disease in long-term habitats. The properties of grain shape and hardness are important parameters in determining the abrasiveness of dust as it enters mechanical systems, or bombards helmet visors and habitat windows in dust-laden winds. Adhesive electrostatic and magnetic properties of dust will be prime causes of contamination of space suits and equipment. Contamination causes mechanical malfunction, tracking of dirt into habitats, "piggybacking" of toxins on dust into habitats, changes in albedo and efficiency of solar arrays and heat exchangers, and changes in electrical conductivity of suit surfaces and other materials that may have specific safety requirements regarding electrical conductivity. Other potentially hazardous properties of dust include the possibility of high solubility of some component grains (rendering them reactive), and toxicity of some materials --grains of superoxidants and heavy metals (there is always the slim, but not inconceivable possibility of biogenic components such as spores). Because Mars has no active surface aqueous regime, volcanic emissions, meteoritic debris, weathering products, and photochemical products of Mars have nowhere to go except reside in the surface; there are few mechanical or chemical (buffering) processes to remove the accumulation of eons. From a planetology perspective, there are many enigmatic issues relating to dust and the aeolian regime in general. MECA will be able to address many questions in this area. For example, if MECA determines a particular particle size distribution (size and sorting values), it will be possible to make inferences about the origin of the dust - - is it all aeolian, or a more primitive residue of weathering, volcanic emissions, and meteoritic gardening? Trenching with the Lander/MECA robot arm will enable local stratigraphy to be determined in terms of depositional rates, amounts and cyclicity in dust storms and/or local aeolian transport. Grain shape will betray the origin of the dust fragments as being the product of recent or ancient weathering, or the comminution products of aeolian transport --the dust-silt ratio might be a measure of aeolian comminution energy. Additional information is contained in the original.

Marshall, J.↗

DOE OSTI2023

Solvent-free and low temperature synthesis of chalcogenide Na superionic conductors for solid-state batteries

Sodium chalcogenide ionic conductors are attractive candidates as solid electrolytes (SEs) in solid-state Na metal batteries. They show the advantages of high ionic conductivity of 10 –4 –10 –2 S cm –1 at room temperature and great chemical stability in air. However, simple, efficient, and scalable approaches for the synthesis of chalcogenide solid electrolytes (SEs) are required. In this work, we report a solvent-free mixing to form dry intermediate products, which are subjected to different treatments (electron-beam assisted method or low temperature heating (≤150 °C)) to produce pure phase of Na 3 SbS 4-y Se y (0 ≤ y < 2) chalcogenides. Heavy Se-doping in Na 3 SbS 4 results in the tetragonal-to-cubic phase transition as well as a significant change of Sb-S bonding in Raman spectra. Among all chalcogenide SEs, Na 3 SbS 3 Se showed the highest ionic conductivity of 3.75 × 10 –4 S cm –1 at room temperature, 47% higher than that of pristine Na 3 SbS 4 . Moreover, the Se-dopant also enhanced the electrochemical stability towards Na metal in solid-state batteries. The solid-state Na||FeS 2 battery with Na 3 SbS 3 Se SE displayed long-term cycling ability up to 1,000 cycles within the voltage window of 1.0–2.7 V and retained a specific capacity of 105 mAh g –1 after 600 cycles. As a result, this technique promotes the practical applications of chalcogenide SEs in solid-state batteries.

25 ENERGY STORAGE↗

DOE OSTI2020

In situ monitoring of the stopped muon flux at Mu2e

The specific object of Mu2e search is the neutrino-less coherent $\mu^-\rightarrow e^-$ conversion in the field of an aluminum nucleus and the signal is a monoenergetic electron of energy $ \approx 104.97$ MeV. This process is forbidden in the Standard Model but allowed in many of its extensions: with minimal changes to include neutrino masses and oscillation, the Branching Ratio of this process, or the similarly interesting $\mu\rightarrow e \gamma$ decay, is expected to be of the order of $\mathcal{O}(10^{-54})$. Values like these are below any currently achievable experimental sensitivity, and the observation of a signal would be unambiguous evidence of New Physics. The upper limit on the muon conversion was set by SINDRUM II at $7\times10^{-13}$ (90\% C.L.) and the goal of the Mu2e collaboration is an improvement of 4 order of magnitudes.\\ The Mu2e experiment can be conceptually divided into three stages: interaction of the primary proton pulse with the tungsten target a nd production of $\pi$ and $\mu$; collection and transport of the produced particles down to the aluminum stopping target; interaction with the stopping target and measurement of the output particles. The measurement of the stopped muon flux is of cardinal importance for the normalization of the Mu2e results. The baseline design includes two detectors developed to measure this flux, counting $\gamma$ emitted by the muonic atoms: HPGe and LaBr$_3$(Ce). The studies performed by the Mu2e Collaboration show that these two systems can be reliably used to determine the overall normalization.\\ The number of stopped muons is proportional to the number of protons on target, which itself depends on the extraction system for the proton beam. The Mu2e beam delivery system will use a resonant extraction to create the proton pulses and this method is characterized by intensity fluctuations on the time scale of milliseconds. These fluctuations, aside from the proportional fluctuation of t he number of muons, have a non-trivial impact on the overall! performance of the apparatus. For example, higher intensity proton bunches translate into higher veto rates by the Cosmic Rays Veto system, which is triggered by secondary particles generated by the proton interaction. Another example is the effect of the instantaneous luminosity on the reconstruction efficiency: higher intensity translates into higher detector occupancy, which in turn reduces the reconstruction efficiency.\\ The two cited detectors encounter limitations when trying to monitor the flux at the millisecond timescales: HPGe is by construction a slow detector while the rate of emission of the $\gamma (1809\textrm{ keV})$ the LaBr$_3$(Ce) will measure is too low. As of today, no system allows to monitor these fluctuations and the goal of this Thesis is to try filling this gap. The method we developed to monitor the fluctuations of the stopped muon flux, and by extension, the fluctuation in the proton pulses intensity is based on counting the number of muons capt ured in the stopping target by counting the number of protons produced in the process of the nuclear muon capture. This is one of the possible processes a stopped muon can undergo and it can lead to the ejection of charged particles.\\ The reconstruction algorithms were developed by the Mu2e collaboration with the explicit (and sometimes implicit) aim to reconstruct tracks of electrons in an energy range of a conversion electron. The protons we are interested in behave quite differently from these electrons and the cardinal task of this study has been to tailor the reconstruction routines to these particles. This has been done by analyzing simulated events consisting of a single proton to optimize the procedure and understand the features of these tracks. A major difference with respect to the electrons is the non-relativistic nature of $100\div300$ MeV$/c$ protons: accounting for the low velocity is both a challenge and a unique signature of the tracks.\\ The use of a pulse d beam and the need to allow produced $\pi$ to decay and $\m! u$ to int! eract in the stopping target forces the definition of a Mu2e \textit{event}: an event is comprised by everything which happens in a $1.7\ \mu$s window between the incidence two consecutive proton pulses. This means that the reconstruction will be performed in an environment crowded by many different particles. The next step of this study has been to estimate the performance of the method in a fully-fledged Mu2e simulated event and to study what kind of selections would improve it.\\ Our results are satisfactory since the number of reconstructed protons is significant (few per event), and show that a monitor on the timescale of milliseconds is indeed possible.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Optical Flow Diagnostics of Counter Fluidization of Gravity-Driven Moving Packed Bed for a CSP Receiver Section Featuring Staggered Array of Cylindrical Pins

Particle fluidized beds have the potential to improve the efficiency of heat transfer in concentrated solar receiver furnace for use in next generation concentrated solar power (CSP) plants. This study presents an experimental investigation on the flow characterization of vertically downward moving packed bed with counter fluidization through an array of jets. To control the bubble size and its distribution in the bubbling fluidized bed, an array of cylindrical pin fins was arranged uniformly across the test article. The flow visualization was performed on the surface of transparent glass coated with electrically conductive materials for electrostatic dissipation purposes. The image acquisition was carried out via high-speed camera at a frequency of ~ 1kHz. The acquired images were analyzed in pairs with the help of a modern optical flow algorithm capable of calculating the movement of dense particle flow in the fluidized bed by tracking the light intensity of each predefined window of the frames. A comparison of fluidized beds with plane and pin-finned channels revealed distinct bubble behavior. Pin-finned channels were found to produce a larger number of small-sized bubbles, while plane channels generated fewer but larger bubbles at any given instant. The presence of pin fins was observed to reduce bubble size by preventing bubble merging and splitting larger bubbles when they encountered a pin.

concentrating solar power↗

DOE OSTI2020

Fast and Accurate Core Analysis by the Full-Immersion Pressure-Pulse Decay: Part 2—Practice and Demonstration

Summary This study continues the work of presenting a novel approach for making petrophysical assessments of tight core samples. This method, the full-immersion pressure-pulse decay (Hannon 2019), involves applying a rapid increase in pressure in a chamber surrounding the entire outer surface area of a cylindrical sample, shutting the system in, and monitoring the pressure decay in the chamber as it reaches a new equilibrium. A precursor article covered the numerical simulator designed to model flow through the sample, demonstrating its performance and accuracy in addition to providing a first-order comparison between the speed and shape of the pressure-decay responses of the full-immersion method with those of other similar transient methods. This study covers the parameter-estimation procedure and experimental verification through a proof-of-concept laboratory investigation. The investigations provided here demonstrate that under appropriate, achievable experimental conditions, the pressure data can be analyzed in such a way that returns an estimate of the porosity and apparent permeabilities both parallel and perpendicular to bedding from a single test performed on a single cylindrical sample. After determining these experimental conditions (the uniqueness window), this report outlines a data-inversion strategy to estimate the petrophysical properties (porosity, horizontal permeability, and vertical permeability) from each test. This strategy is put to the test through comparisons with measurements performed by a commercial core laboratory. A common set of samples recovered from an outcrop of a tight-gas sandstone formation were investigated using the full-immersion method, and their results are compared with those from conventional steady-state measurement procedures performed by the commercial laboratory. Comparisons between petrophysical characterizations of these samples, which had permeabilities between 25 nd and 2.3 μd, demonstrated close agreement in most cases. However, whereas steady-state measurements performed at the professional laboratory required 4 to 5 hours of testing time per measurement of a single permeability, similar assessments using the full-immersion technique, requiring approximately 5 to 10 minutes to complete, returned estimates of the horizontal and vertical permeability simultaneously. Additional analyses are provided to determine principal reasons of discrepancies in instances where agreement was not as strong. Based on lessons learned from these experiences, the report closes with suggestions on areas of improvement in the experimental approach. Once complete, these developments should propel this technology to fill a critical need to determine petrophysical properties (porosity and permeability) of tight rocks in a time-efficient manner and in a way that does not compromise their accuracy.

Energy & Fuels↗

DOE OSTI2022

Steric and Lewis Basicity Influence of the Second Coordination Sphere on Electrocatalytic CO 2 Reduction by Manganese Bipyridyl Complexes

This study aims to provide a greater insight into the balance between steric (bpy vs (Ph) 2 bpy vs mes 2 bpy ligands) and Lewis basic ((Ph) 2 bpy vs (MeOPh) 2 bpy vs (MeSPh) 2 bpy ligands) influence on the efficiencies of the protonation-first vs reduction-first CO 2 reduction mechanisms with [Mn I (R 2 bpy)(CO) 3 (CH 3 CN)] + precatalysts, and on their respective transition-state geometries/energies for rate-determining C–OH bond cleavage toward CO evolution. The presence of only modest steric bulk at the 6,6'-diphenyl-2,2'-bipyridyl ((Ph) 2 bpy) ligand has here allowed unique insight into the mechanism of catalyst activation and CO 2 binding by navigating a perfect medium between the nonsterically encumbered bpy-based and the highly sterically encumbered mes2bpy-based precatalysts. Cyclic voltammetry conducted in CO 2 -saturated electrolyte for the (Ph) 2 bpy-based precatalyst [2-CH 3 CN] + confirms that CO 2 binding occurs at the two-electron-reduced activated catalyst [2] – in the absence of an excess proton source, in contrast to prior assumptions that all manganese catalysts require a strong acid for CO 2 binding. This observation is supported by computed free energies of the parent–child reaction for [Mn–Mn] o dimer formation, where increased steric hindrance relative to the bpy-based precatalyst correlates with favorable CO 2 binding. A critical balance must be adhered to, however, as the absence of steric bulk in the bpy-based precatalyst [1-CH 3 CN] + maintains a lower overpotential than [2-CH 3 CN] + at the protonation-first pathway with comparable kinetic performance, whereas an ~2-fold greater TOF max is observed at its reduction-first pathway with an almost identical overpotential as [2-CH 3 CN] + . Notably, excessive steric bulk in the mes2bpy-based precatalyst [3-CH 3 CN] + results in increased activation free energies of the C–OH bond cleavage transition states for both the protonation-first and the reduction-first pathways relative to both [1-CH 3 CN] + and [2-CH 3 CN] + . In fact, [3-CH 3 CN] + requires a 1 V window beyond its onset potential to reach its peak catalytic current, which is in contrast to the narrower (<0.30 V) potential response window of the remaining catalysts here studied. Furthermore, voltammetry recorded under 1 atm of CO 2 with 2.8 M (5%) H 2 O establishes [2-CH 3 CN] + to have the lowest overpotential (η = 0.75 V) in the series here studied, attributed to its ability to lie “on the fence” when providing sufficient steric bulk to hinder (but not prevent) [Mn–Mn] o dimerization, while simultaneously having a limited steric impact on the free energy of activation for the rate-determining C–OH bond cleavage transition state. While the methoxyphenyl bpy-based precatalyst [4-CH 3 CN] + possesses an increased steric presence relative to [2-CH 3 CN] + , this is offset by its capacity to stabilize the C–OH bond cleavage transition states of both the protonation-first and the reduction-first pathways by facilitating second coordination sphere H-bonding stabilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

ClassNMSW- a real-time classification approach for non-recycled municipal solid waste using hyperspectral imaging

Real-time classification of non-recycled municipal solid waste (NMSW) is essential for efficient valorization. This study introduces ClassNMSW, a comprehensive framework for classifying 22 NMSW subclasses under industrial constraints by using hyperspectral imaging (HSI). A primary innovation of this work is the development of a variance-controlled spectral extraction algorithm. Unlike traditional methods that rely on simple averaging, this approach systematically investigates the extent of pixel extraction to minimize the loss of critical chemical information while maximizing data reduction thus ensuring high spectral fidelity with low computational cost. The approach developed in this work integrates automated, computer-vision-based background removal, eliminating the need for the manual thresholding common in current literature. To resolve ambiguities among chemically similar subclasses, a tiered classification and multi-camera fusion strategy (NIR17 and NIR22) is implemented. Results demonstrate that ClassNMSW achieves an object-wise weighted accuracy of 98.70% for single-sensor configurations and 100% under sensor fusion. A novel rolling-window strategy satisfies desired end-to-end latency of <2 s, satisfying the strict deterministic requirements of high-speed industrial sorting environments. The ClassNMSW framework provides a scalable foundation for advancing circularity and resource recovery in large-scale waste valorization operations.

99 - GENERAL AND MISCELLANEOUS↗

NASA NTRSDate not supplied

Solid-state Architecture Batteries for Enhanced Rechargeability and Safety (SABERS) for Extended Deep Space Applications

Extended duration deep space missions as well as permanent space habitats face numerous technical challenges, key among them is energy generation and energy storage. There are considerable monetary and technical barriers to the generation of power in space. Therefore, it is important to store and be able to access power in an efficient and safe manner over a large number of cycles. Energy storage and in particular, batteries, are vital to the operation of next-generation extraterrestrial shuttles, rovers, habitats and extravehicular activity (EVA) space suits. The performance metrics for extended duration space missions are at least 2 times greater than those set for terrestrial applications such as electric automobiles. Furthermore, safety is essential for operation of space missions particularly involving astronauts such as shuttles, habitats and EVA space suits. Preliminary systems level analysis has indicated that there are five key properties which must be optimized for successful implementation of battery systems. Those five key criteria are: safety, energy density, power, packaging design and scalability. Current state-of-the-art (SOA) lithium-ion batteries can meet or exceed the requirements for certain space applications in the areas of power and scalability, yet are insufficient in the key performance criteria of energy, safety and packaging design. The SABERS concept proposes a battery that meets all five key performance criteria through development of a solid-state architecture battery utilizing high capacity sulfur-selenium cathode and lithium metal anode. The combination of sulfur and selenium offers a balanced energy-to-power density ratio, which can be tailored to the specific application by altering the stoichiometric ratios of sulfur to selenium. This hybrid cathode will be developed by implementing NASA patented holey graphene technology as a highly conductive, ultra-lightweight electrode scaffold. A solid-state electrolyte will be used as a safe, non-flammable replacement to the highly flammable liquid organic electrolytes currently used in SOA lithium-ion batteries. This solid-state lithium-sulfur/selenium cell will be designed into a serial stacking configuration to enable dense packaging of the battery cells. The serial stacking configuration is termed a bipolar stack, which has the advantages of reducing overall cell weight, simplifying the interfaced connections for the cell, and minimizing the cooling requirements for the cell. Lastly, optimization of battery components will occur through a robust and rigorous combination of various computational modeling techniques covering multiple length scales. The expected result will be a fully solid-state battery with operational temperatures up to 150 °C which provides the required energy density, discharge rates, and inherent safety to meet the strict space mission performance criteria. In particular, the wide operational temperature window is required for the large temperature ranges which are experienced across a broad range of potential space missions. This presentation will show initial results that demonstrate the SABERS team has developed a composite carbon-sulfur cathode which exceeds 1100 Wh/kg at a discharge rate of 0.4C, and 804 Wh/kg at a discharge rate of 1C. Additionally, this presentation will show the SABERS team multiscale computational modeling approach and has produced a novel particle dynamics method called Solid Electrolyte Sphere Approximation Model (SESAM). SESAM is on the 1-10 µm scale and provides electromechanical and grain interactions for predictive design guidelines for the experimental team to follow.

Urban Air Mobility (UAM) Vehicles↗

DOE OSTI2024

Durability enhancement of all-solid-state electrochromic devices by adjusting the charge density ratio between electrochromic and counter electrode layers

Here, owing to an increase in global warming, smart-window devices based on charge-balanced electrochromic devices (ECDs), which exhibit high potential to increase the thermal efficiency of buildings, have gained prominence. However, studies on the fabrication and cycling stability of charge-balanced ECDs are scarce. In this study, WO 3 and NiO x films were deposited on indium-tin-oxide (ITO)-coated glass substrates by reactive direct-current magnetron sputtering, and the deposition time was varied to control the thickness and charge density of the thin films. Subsequently, the NiO x /ITO/glass and WO 3 /ITO/glass substrates were laminated with a Li-based polymeric electrolyte to fabricate all-solid-state ECDs comprising electrochromic (EC) and counter-electrode (CE) layers in charge-density ratios of 12.6, 6.4, 2.3, and 1.1. Changes in the electrochromic properties, device-layer microstructure, crystal structure, and elemental composition of the as-constructed ECDs before and after degradation were investigated to understand the influence of the charge-density ratio of the EC and CE layers on the long-term durability of ECDs. Increasing the charge-density ratio decreased the cycling stability of the device owing to changes in the microstructure and crystal structure of the NiO x layer in the microstructural deep-trap sites. Among all the ECDs, those comprising EC and CE layers with similar charge densities showed the most stable optical modulation and highest long-term durability. Finally, based on the aforementioned results, a degradation mechanism for charge-imbalanced all-solid-state ECDs was proposed. This study is expected to open new frontiers in designing optimal-performance electrochemical devices with a wide variety of potential applications.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

Space Nuclear Propulsion for Deep Space Science Missions

The use of nuclear thermal propulsion (NTP) 1 and nuclear electric propulsion (NEP) 2 systems on deep space science missions to the outer planets and into the interstellar medium 3 can yield significant spacecraft system and mission performance benefits and improvements relative to the use of conventional chemical propulsion systems. Several recent and ongoing programs are developing the technologies and systems required to realize a near-term deep space nuclear propulsion capability. NTP provides improved propulsion efficiencies compared to chemical propulsion, while also providing substantial thrust. This combination of high thrust and increased specific impulse (I_sp) provides high acceleration and extended thrusting periods, enabling greatly reduced trip-times on certain types of missions compared to various propulsive alternatives. For examples, compared to a baseline mission using chemical propulsion, NTP-powered missions to Jupiter or Uranus could deliver approximately 2.4-3.6 times more payload (in the case of Jupiter, the payload delivery is significantly larger than the Juno spacecraft). In this comparison, the higher end of the payload advantage is obtained when the trip time is held equal for the NTP-powered vehicle and a vehicle using a chemical propulsion departure stage. NTP systems are presently under development by multiple government agencies. NASA’s Space Nuclear Propulsion (SNP) project aims to demonstrate a hydrogen-fed NTP engine at 900 s specific impulse (I_sp) and approximately 10-15 klb_f of thrust. DARPA’s Demonstration Rocket for Agile Cislunar Operations (DRACO) program is targeting a demonstration of an NTP system in the cislunar space between the Earth and the Moon. An appropriately phased development plan that applies the development of the reactor technology for an NTP engine in this performance class and leverages mature, existing liquid rocket component hardware provides a path to a lower cost propulsion system that can be realized on a shorter development schedule. NEP, with high Isp in the 2,000-8,000 s range, can also provide advantages over chemical propulsion, including a much greater payload delivery mass and the flexibility for planners to trade between delivered mass and a wider window of mission trajectory options. Electric propulsion (EP) systems have demonstrated great utility, performing notably on the Dawn mission to enable rendezvous and orbital insertion at two separate bodies, Vesta and Ceres. An NEP-powered vehicle would have a similar capability to visit multiple bodies, loitering at each before moving to the next. A 10 kW_e NEP system provides a power- rich environment on the spacecraft that is simply not possible using present radioisotope power systems, giving mission planners more scientific instrument and communication hardware options. Several programs and projects are presently developing NEP systems and subsystems in the 10 kW_e power range, leveraging past reactor work and recent nuclear power generation risk-reduction demonstration activities such as the Demonstration Using Flattop Fission (DUFF) and the Kilopower Reactor Using Stirling TechnologY (KRUSTY). The goal of the Air Force Research Laboratory’s Joint Energy Technology Supplying On-Orbit Nuclear Power (JETSON) program is an in-space demonstration vehicle that has a 10 kW_e -class fission power source. These past and present efforts can be combined with the ongoing development of 10 kW_e -class electric propulsion systems (notably the NEXT-C ion thruster or the Hall-effect thrusters for Power and Propulsion Element of the Lunar Gateway) to provide a pathway to a low-cost, reliable NEP system for deep space science application.

Kurt A. Polzin↗

NASA NTRSDate not supplied

Space Nuclear Propulsion for Deep Space Science Missions

Kurt A. Polzin↗

DOE OSTI2025

Resolving discrepancies in bang-time predictions for indirect-drive ICF experiments on the NIF: Insights from the Build-A-Hohlraum campaign

This study investigated discrepancies between measured and simulated x-ray drive in Indirect-Drive Inertial Confinement Fusion (ID-ICF) hohlraums at the National Ignition Facility. Despite advances in radiation-hydrodynamic simulations, a consistent “drive deficit” remains. Experimentally measured ID-ICF capsule bang-times are systematically 400–700 ps later than simulations predict. The Build-A-Hohlraum (BAH) campaign explored potential causes for this discrepancy by systematically varying hohlraum features, including laser entrance hole (LEH) windows, capsules, and gas fills. Overall, the agreement between simulated and experimental x-ray drive was found to be largely unaffected by these changes. The data allow us to exclude some hypotheses put forward to potentially explain the discrepancy. Errors in the local thermodynamic equilibrium (LTE) atomic modeling, errors in the modeling of LEH closure, and errors due to a lack of plasma species mix physics in simulations are shown to be inconsistent with our measurements. Instead, the data support the hypothesis that errors in NLTE emission modeling are a significant contributor to the discrepancy. X-ray emission in the 2–4 keV range is found to be approximately 30% lower than in simulations. This is accompanied by higher than predicted electron temperatures in the gold bubble region, pointing to errors in non-LTE modeling. Introducing an opacity multiplier of 0.87 on energy groups above 1.8 keV improves agreement with experimental data, reducing the bang-time discrepancy from 300 to 100 ps. These results underscore the need for refined NLTE opacity models to enhance the predictive power of hohlraum simulations.

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DOE OSTI2022

Using Natural Gas Liquids to Recover Unconventional Oil and Gas Resources (Final Report)

This document presents final technical findings for the project Using Natural Gas Liquids to Recover Unconventional Oil and Gas Resources (FE0031782). The project is part of the U.S. Department of Energy Oil and Gas Program to develop and advance technologies that can significantly improve the recovery efficiencies of unconventional oil and gas resources. The overall objective of this project is to improve the ultimate recovery from unconventional oil and gas (UOG) resources in the United States by developing a method for using unrefined natural gas liquids (NGLs) as treatment fluids to improve hydrocarbon production. Horizontal extended-lateral drilling coupled with high volume hydraulic fracturing has significantly increased production from UOG resources in the U.S. However, the recovery efficiency is low compared to the estimated oil and gas in place. Recent data indicate that less than 10% of the oil in the liquid-rich UOG reservoirs is produced. Alternative completion methods using NGLs could increase production (Battelle, 2016; Wan et al., 2013; Wan, 2013; Downey et al, 2021); however, field validation tests are needed to develop an approach that is economical, efficient, and compatible in the UOG setting to advance towards commercial deployment. This project aims to develop and field test a method to improve recovery of oil resources in UOG shale plays by using Y-Grade NGLs, or a similar combination of NGLs, as treatment fluids. Refined NGLs have been used as a hydraulic treatment fluid in UOG plays for decades and are shown to be particularly effective because their miscibility with oil allows oil to flow more freely; however, the use of Y-Grade (unrefined) NGLs has not been studied. The use of Y-Grade NGLs would be advantageous over refined NGLs because Y-Grade NGLs do not require infrastructure or investment in refining and are already being produced from many UOG reservoirs. The concept was tested and monitored in the field at a commercial well site owned by project partner Hopco, Ltd. The project team, which consists of multiple oil and gas operators, Linde Gas North America LLC (Linde) and the Ohio Division of Geological Survey (ODGS), has extensive experience with oil and gas production in the Appalachian basin and the ability to work together quickly to solve technical issues and research needs. A key part of the proposed work was the use of existing wells for field testing and monitoring. A total of four wells (three vertical and one horizontal) were available for this project. One of the vertical wells was utilized as the test well for the NGL treatment test. A nearby vertical well was used for microseismic monitoring. The remaining vertical well and the horizontal well provided a baseline for typical UOG production in the oil window of the Utica/Point Pleasant (UPP). Major technical tasks of the project include characterization of the geotechnical properties of the UPP with an emphasis on the field site; design and planning for the NGLs testing; field testing and monitoring; analysis and integration of field data; and economic and resource/reserve assessment. The Shoman monitoring well and Doughty NGL treatment well were successfully plugged back during September-October 2020 in preparation for treatment and monitoring. A nitrogen diagnostic fracture injection test (DFIT) was completed on the Doughty well on July 22, 2021, consisting of 133,000 scf (91 Bbl.) of nitrogen. A nitrogen foam frac was completed in the Utica-Point Pleasant interval on August 17, 2021 with funding from outside sources. A microseismic monitoring array was installed in the Shoman well and monitored microseismic activity during the Doughty well frac job. Y-Grade NGL injection commenced on August 26, 2021. A total of 215 Bbl. was injected but the job was shut down due to a small leak on the suction hose on the pump truck. The Y-Grade treatment resumed on August 27, 2021 and an additional 726 Bbl. of Y-Grade NGL was injected at a well head pressure of 3850 psi. Total volume of injected Y-Grade over the two days of injection was 941 Bbl. The well was shut-in for 17 days following injection to allow the Y-Grade NGLs to soak on the formation. Y-Grade treatment flow back commenced on 9/13/2021 on a weekly basis. Production data, including surface pressures, oil, nitrogen, natural gas, and flow times was measured and recorded. Periodic gas samples were collected and analyzed to determine composition of flowback gas. As of July 2022, the treatment well had produced 726 Bbl of oil and 2,888 mcf gas. In August 2022, tubing and packer in the well were removed and a pump was installed to enhance oil recovery. Currently, the operator is producing the well about 2 days a week for a few hours. The performance of the NGL treatment test was evaluated based on reservoir simulations of the treatment process, processing of well testing data, analysis of micro seismic monitoring data, and production data analysis. This analysis suggested that oil production in the small test would continue through 2025. Upscaling the treatment to a horizontal Utica Point-Pleasant well would allow more oil recovery, but the process would involve more investment, services, and operational support. An economic analysis was conducted for scenarios aimed at upscaling the NGL treatment process for more typical horizontal UPP wells in the Appalachian Basin.

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NASA NTRS1995

Cooperative Testing of Rocket Injectors That Use Gaseous Oxygen and Hydrogen

Gaseous oxygen and hydrogen propellants used in a special engine energy cycle called Full-Flow Staged Combustion are believed to significantly increase the lifetime of a rocket engine's pumps. The cycle can also reduce the operating temperatures of the engine. Improving the lifetime of the hardware reduces its overall maintenance and operations costs, and is critical to reducing costs for the joint NASA/industry Reusable Launch Vehicle (RLV). The work in this project will demonstrate the performance and lifetime of one-element and many-element combustors with gaseous O2/H2 injectors. This work supporting the RLV program is a cooperative venture of the NASA Lewis Research Center, the NASA Marshall Space Flight Center, Rocketdyne, and the Pennsylvania State University. Information about gas-gas rocket injector performance with O2/H2 is very limited. Because of this paucity of data, new testing is needed to improve the knowledge base for testing and designing new injectors for the RLV and to improve computer models that predict the combusting gas flows of new injector designs. Therefore, detailed observations and measurements of the combusting flow from many-element injectors in a rocket engine are being sought. These observations and measurements will be done with three different tools: schlieren photography, ultraviolet imaging, and Raman spectroscopy. The schlieren system will take photos of the density differences in combusting flow, the ultraviolet movies will determine the location of the hydroxyl (OH) radical in the combustion flow, and the Raman spectroscopic measurements will provide the combustion temperature and amount of water (H2O), hydrogen (H2), and oxygen (O2) in the combustor. Marshall is providing overall program management, design and computational fluid dynamics (CFD) analyses, as well as funding for the work at Penn State. An existing, windowed combustor and several injectors will be provided by Rocketdyne--two injectors for the initial screening tests and one with an optimized design based on the best design found in the screening tests. Lewis will provide a nozzle and several injectors for the screening test program. The configuration of the injectors will be based on a design chosen by all the participants, and their elements will be based on the coaxial and impinging flow. Lewis also will provide the instrumentation for the flow-field measurements: schlieren, ultraviolet imaging, and Raman spectroscopy. In addition, thermocouples will measure heat flow on the injector face. Other traditional measurements of rocket performance will be made as well: chamber pressure, mass flow of each propellant, purge flow, and the barrier cooling gas flow. Penn State will conduct single-element testing with the injector elements from both the Rocketdyne and the jointly designed injectors. A wide variety of traditional and nontraditional injector designs will be tested in this program. The results will be valuable in computational fluid dynamics code validation and overall rocket combustion efficiency measurements. Correlations between combustion efficiency, laser measurements of species, and ultraviolet and visible light photography will also be made. Thus far, several different single-element injectors have been tested at Penn State and Lewis. The experimental setup of a rocket engine with a viewing window is shown. The combusting flow is shown. The results are helping engineers design the many element injectors.

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DOE OSTI2025

Li + (ionophore) nanoclusters engineered aqueous/non-aqueous biphasic electrolyte solutions for high-potential lithium-based batteries

The use of aqueous/non-aqueous biphasic electrolyte solutions in Li-based battery systems circumvents the limitations of poor reductive stability of aqueous electrolyte solutions, broadening their electrochemical stability window. However, aqueous/non-aqueous electrolytes suffer from biphasic mixing and high impedance when Li ions cross the biphasic interface. Here we propose the use of 12-crown-4 (12C4) and tetraglyme (G4) as lithium ionophores to form Li + (ionophore) nanoclusters in both non-aqueous and aqueous phases to overcome the interface challenges in biphasic electrolytes. The Li + (ionophore) nanoclusters have the H 2 O-excluding inner Li + solvation structure in non-polar 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether (TTE), allowing fast charge transport across the biphasic interface without solvent mixing or water shuttling. Further, a tailored electrolyte formulation comprising the lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt, 12C4, TTE and H 2 O solvents (labelled LiTFSI-12C4@TTE/H 2 O) demonstrates low impedance (2.7 Ω cm -2 ) at the TTE/H 2 O interface and enabling 2,000 cycles of prelithiated graphite||LiFePO 4 coin cells at 850 mA g -1 with an average Coulombic efficiency of 99.8%. Single-layer 22.5 mAh Li||LiMn 2 O 4 pouch cells using LiTFSI-12C4@TTE/H 2 O electrolyte with G4 delivered a stable discharge capacity of about 1.3 mAh cm -2 for 80 cycles at 0.5 mA cm -2 .

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