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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 739 records · Page 41

Open-Air Manufacturing of Efficient Large-Area Perovskite Solar Cells to Meet Stability and Cost Targets

This SETO-funded project (DE-EE0009516) developed a fully open-air manufacturing pathway for perovskite solar cells and modules, eliminating vacuum-based processing steps while improving device stability. Open-air ultrasonic spray deposition, solution combustion synthesis, rapid thermal processing, and atmospheric plasma curing were developed and optimized for all functional device layers — perovskite absorber, hole transport layers (HTLs), electron transport layers (ETLs), transparent conducting oxides (TCOs), and rear electrodes — without reliance on vacuum. Sprayed organic ETLs preserved perovskite crystal structure and enabled power conversion efficiencies exceeding 20%, and open-air processed TCOs and rear electrodes achieved optoelectronic performance comparable to sputtered alternatives at substantially lower manufacturing cost. Device stability was assessed through accelerated aging protocols aligned with IEC and ISOS standards, combined with high-throughput optical diagnostics that identified key degradation mechanisms and antagonistic interactions among heat, humidity, and illumination stressors. A comprehensive technoeconomic analysis quantified the cost and throughput advantages of open-air manufacturing over conventional vacuum-based processes, identifying vacuum deposition as the dominant cost driver and demonstrating a clear pathway toward the $0.02/kWh target. The project produced five peer-reviewed journal publications, eleven conference presentations, two patents/applications, and five Ph.D. dissertations.

14 SOLAR ENERGY↗

Genome-scale metabolic rewiring improves titers rates and yields of the non-native product indigoidine at scale

Abstract High titer, rate, yield (TRY), and scalability are challenging metrics to achieve due to trade-offs between carbon use for growth and production. To achieve these metrics, we take the minimal cut set (MCS) approach that predicts metabolic reactions for elimination to couple metabolite production strongly with growth. We compute MCS solution-sets for a non-native product indigoidine, a sustainable pigment, in Pseudomonas putida KT2440, an emerging industrial microbe. From the 63 solution-sets, our omics guided process identifies one experimentally feasible solution requiring 14 simultaneous reaction interventions. We implement a total of 14 genes knockdowns using multiplex-CRISPRi. MCS-based solution shifts production from stationary to exponential phase. We achieve 25.6 g/L, 0.22 g/l/h, and ~50% maximum theoretical yield (0.33 g indigoidine/g glucose). These phenotypes are maintained from batch to fed-batch mode, and across scales (100-ml shake flasks, 250-ml ambr®, and 2-L bioreactors).

59 BASIC BIOLOGICAL SCIENCES↗

Thermonucleator

Thermonucleator controls nucleation in selected region of crystallizing solution by varying local temperature and local supersaturation. Apparatus potentially offers better control of crystallization process in aqueous solution than use of stream of cold gas to induce nucleation by cooling part of bottom of crucible containing hot solution.

Demattei, Robert C.↗

AquaMEND: Reconciling multiple impacts of salinization on soil carbon biogeochemistry

Soil salinization, exacerbated by climate change, poses a global threat to coastal ecosystem function and soil quality. Salinity influences carbon cycling through direct effects on microbial activity and indirect alterations to soil physicochemical properties including cation exchange, pH, and soil organic carbon availability. Current models inadequately represent these complexities, relying on linear reduction functions that overlook specific physicochemical changes induced by salinity. To address this gap, we propose an integrated model framework, AquaMEND, that combines microbial-explicit carbon decomposition and geochemical models. This model allows cation exchange and surface complexation processes to capture solute chemistry and nutrient availability in soils upon saltwater intrusion. Using response functions that capture salinity impacts on both salt-sensitive and salt-resistant microbial processes, AquaMEND simulates how the abiotic and biotic mechanisms work individually and collectively to regulate organic and inorganic pools and fluxes. Here, the parallel structure of aqueous and non-aqueous phases, together with microbial functions, result in a versatile model for solving dynamic coupling of organics, minerals and microbes under various environmental settings.

54 ENVIRONMENTAL SCIENCES↗

Kraft black liquor concentration with graphene oxide membranes: Process simulations and technoeconomic analysis

Abstract Black liquor (BL) dewatering by multi‐effect evaporation in the kraft papermaking process is highly energy‐intensive. It was previously shown that graphene oxide (GO) nanofiltration membranes can remove lignin, other organics, and inorganic salts from BL while exhibiting stability in caustic BL conditions. Here, we design and simulate several candidate dewatering processes and evaluate their technoeconomic characteristics. All processes concentrate BL from 15 to 30 wt% solutes while producing aqueous permeate. Two process options were analyzed—option A including “last‐mile” permeate treatment to reduce solutes to 0.2 wt%, and option B excluding this treatment and producing a 3–4 wt% solutes stream. These processes were simulated in custom‐built ASPEN Plus flowsheets interfaced with Microsoft Excel and MATLAB. All processes deliver large (>40%) energy savings. Detailed technoeconomic analysis showed that option A processes are profitable in mills equipped with condensing turbines, but unprofitable with only purchased fuel savings. Option B processes are profitable in both situations, but require the caustic permeate to be utilized in other kraft process units. They are also profitable with electricity generation when operated at smaller scales matching the requirements of other process units. Monte‐Carlo sensitivity analysis shows that Option A can yield median 20‐year NPVs up to ~$10MM and Option B up to ~$25MM. Overall, GO membrane‐based BL dewatering is economically promising, assuming successful slipstream piloting and scale‐up campaigns. It would have immediate sustainability benefits from large energy savings, and broader implications for biorefinery processes due to the ability to fractionate biomass feedstock components under harsh conditions.

Wang, Zhongzhen↗

A study of Type I polar stratospheric cloud formation

Mechanisms for the formation of Type I (nitric acid-based) polar stratospheric clouds (PSCs) are discussed. If the pre-existing sulfate aerosols are liquid prior to PSC formation, then nitric acid particles (Type Ib) form by HNO3 dissolution in aqueous H2SO4 solution droplets. This process does not require a nucleation step for the formation of HNO3 aerosols, so most pre-existing aerosols grow to become relatively small HNO3-containing particles. At significantly lower temperatures, the resulting supercooled solutions (Type Ib) may freeze to form HNO3 ice particles (Type Ia). If the pre-existing sulfate aerosols are initially solid before PSC formation, then HNO3 vapor can be deposited directly on the frozen sulfate particles. However, because an energy barrier to the condensation exists a nucleation mechanism is involved. Here, we suggest a unique nucleation mechanism that involves formation of HNO3/H20 solutions on the sulfate ice particles. These nucleation processes may be highly selective, resulting in the formation of relatively small number of large particles.

Tabazadeh, A.↗

Parallel processing techniques for finite element analysis of nonlinear large truss structures

Methods were developed for parallel processing of finite element solutions of large truss structures. The parallel processing techniques were implemented in two stages, i.e., the repeated forming of the nonlinear global stiffness matrix and the solving of the global system of equations. The Sequent Balance 21000 parallel computer was employed to demonstrate the procedures and the speed-up.

Chien, L. S.↗

A Discrete Hankel Transform Approach to Nuclear Data Processing for Fusion Applications

This study introduces advancements to the numerical solutions employed in the processing of nuclear data for fusion applications. It leverages the convolution theorem and Fourier transform techniques to enhance computational efficiency and broaden applicability. Building upon a previously reported discrete Hankel transform approach for Doppler broadening, this work refines the solution of convolution integrals central to these applications. The methodology provides a general and unified framework for evaluating any convolution operation, regardless of whether the underlying problem involves temperature effects in nuclear reactions. The applicability to the nuclear data processing for fusion is demonstrated by deriving the convolution integrals for some of the fusion-related quantities. As before, the convolution operation utilizes a Gaussian-based kernel; however, the discrete Hankel transform of order $𝛼$ = $\frac{1}{2}$ is now applied to the forward Fourier transform of the nonkernel argument, rather than the inverse Fourier transform. This modification eliminates the need for the integration of the nonkernel, cross section–based function, which is a step that posed challenges for certain pointwise cross-section representations. It also removes the requirement for cross-section linearization. Optimized for graphics processing unit architectures, the approach significantly improves computational performance. These advancements are currently under evaluation as the foundation for the next-generation thermonuclear data file processing codes being developed at Lawrence Livermore National Laboratory.

Nuclear science and engineering↗

Effect of reduction of strategic Columbium addition in 718 Alloy on the structure and properties

A series of alloys was developed having a base composition similar to Inconel 718, with reduced Cb levels of 3.00 and 1.10 wt% Cb. Substitutions of 3.0% W, 3.0W + 0.9V or Mo increased from 3.0% to 5.8% were made for the Cb in these alloys. Two additional alloys, one containing 3.49% Cb and 1.10% Ti and another containing 3.89% Cb and 1.29% Ti were also studied. Tensile properties at rooom and elevated temperatures, stress-rupture tests, and an analysis of extracted phases were carried out for each of the alloys. Additions of solid solution elements to a reduced Cb alloy had no significant effect on the properties of the alloys under either process condition. The solution and age alloys with substitutions of 1.27% i at 3.89% Cb had tensile properties similar top hose of the original alloy and stress-rupture properties superior to the original alloy. The improved stress-rupture properties were the result of significant precipitation of Ni3Ti-gamma prime in the alloy, which is more stable than gamma' at the elevated temperatures. At lower temperatures, the new alloy benefits from gamma' strengthening. With more precise control and proper processing, the reduced Cb direct-age alloy could substitute for Alloy 718 in high strength applications.

Ziegler, K. R.↗

Integration of Propulsion-Airframe-Aeroacoustic Technologies and Design Concepts for a Quiet Blended-Wing-Body Transport

This paper summarizes the results of studies undertaken to investigate revolutionary propulsion-airframe configurations that have the potential to achieve significant noise reductions over present-day commercial transport aircraft. Using a 300 passenger Blended-Wing-Body (BWB) as a baseline, several alternative low-noise propulsion-airframe-aeroacoustic (PAA) technologies and design concepts were investigated both for their potential to reduce the overall BWB noise levels, and for their impact on the weight, performance, and cost of the vehicle. Two evaluation frameworks were implemented for the assessments. The first was a Multi-Attribute Decision Making (MADM) process that used a Pugh Evaluation Matrix coupled with the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). This process provided a qualitative evaluation of the PAA technologies and design concepts and ranked them based on how well they satisfied chosen design requirements. From the results of the evaluation, it was observed that almost all of the PAA concepts gave the BWB a noise benefit, but degraded its performance. The second evaluation framework involved both deterministic and probabilistic systems analyses that were performed on a down-selected number of BWB propulsion configurations incorporating the PAA technologies and design concepts. These configurations included embedded engines with Boundary Layer Ingesting Inlets, Distributed Exhaust Nozzles installed on podded engines, a High Aspect Ratio Rectangular Nozzle, Distributed Propulsion, and a fixed and retractable aft airframe extension. The systems analyses focused on the BWB performance impacts of each concept using the mission range as a measure of merit. Noise effects were also investigated when enough information was available for a tractable analysis. Some tentative conclusions were drawn from the results. One was that the Boundary Layer Ingesting Inlets provided improvements to the BWB's mission range, by increasing the propulsive efficiency at cruise, and therefore offered a means to offset performance penalties imposed by some of the advanced PAA configurations. It was also found that the podded Distributed Exhaust Nozzle configuration imposed high penalties on the mission range and the need for substantial synergistic performance enhancements from an advanced integration scheme was identified. The High Aspect Ratio Nozzle showed inconclusive noise results and posed significant integration difficulties. Distributed Propulsion, in general, imposed performance penalties but may offer some promise for noise reduction from jet-to-jet shielding effects. Finally, a retractable aft airframe extension provided excellent noise reduction for a modest decrease in range.

Hill, G. A.↗

Photogrammetry Toolbox Reference Manual

Specialized photogrammetric and image processing MATLAB functions useful for wind tunnel and other ground-based testing of aerospace structures are described. These functions include single view and multi-view photogrammetric solutions, basic image processing to determine image coordinates, 2D and 3D coordinate transformations and least squares solutions, spatial and radiometric camera calibration, epipolar relations, and various supporting utility functions.

Liu, Tianshu↗

Interaction of a sodium ion with the water liquid-vapor interface

Molecular dynamics results are presented for the density profile of a sodium ion near the water liquid-vapor interface at 320 K. These results are compared with the predictions of a simple dielectric model for the interaction of a monovalent ion with this interface. The interfacial region described by the model profile is too narrow and the profile decreases too abruptly near the solution interface. Thus, the simple model does not provide a satisfactory description of the molecular dynamics results for ion positions within two molecular diameters from the solution interface where appreciable ion concentrations are observed. These results suggest that surfaces associated with dielectric models of ionic processes at aqueous solution interfaces should be located at least two molecular diameters inside the liquid phase. A free energy expense of about 2 kcal/mol is required to move the ion within two molecular layers of the free water liquid-vapor interface.

NASA Center ARC↗

Periodic Heat Transfer at Small Pressure Fluctuations

The effect of cyclic gas pressure variations on the periodic heat transfer at a flat wall is theoretically analyzed and the differential equation describing the process and its solution for relatively. Small pressure fluctuations developed, thus explaining the periodic heat cycle between gas and wall surface. The processes for pure harmonic pressure and temperature oscillations, respectively, in the gas space are described by means of a constant heat transfer coefficient and the equally constant phase angle between the appearance of the maximum values of the pressure and heat flow most conveniently expressed mathematically in the form of a complex heat transfer coefficient. Any cyclic pressure oscillations, can be reduced by Fourier analysis to harmonic oscillations, which result in specific, mutual relationships of heat-transfer coefficients and phase angles for the different harmonics.

Pfriem, H.↗

Chemical Compensation Challenges in Processing Antiferroelectric PbZrO 3 Thin Films

The electric field-induced antipolar-to-polar phase transition in antiferroelectric materials is accompanied by large changes in the structural and functional response, making them attractive for many applications ranging from pulsed energy capacitors to high-strain-high (blocking-)force actuators, solid-state heating and cooling systems, and optoelectronic devices. PbZrO 3 , as an end member of the PZT, (x)PbZr 1–x Ti x O 3 , solid solution, has been the subject of many studies. However, processing of perovskite PbZrO 3 is extremely challenging due to phase instabilities induced by Pb loss at the temperatures necessary for perovskite crystallization. Here, we discuss the challenges associated with Pb loss, as well as its compensation through bulk Pb overstoichiometry and interfacial PbO additions, in chemical solution processed, highly oriented PbZrO 3 thin films. For both 042 o - and 001 o -oriented (o-orthorhombic distortion) PbZrO 3 thin films, the crystallization interfaces are the most important contributors to Pb loss and off-stoichiometric outcomes, and no single approach was sufficient to address these challenges. Pb-rich and Pb-deficient nonperovskite phases including ZrO x were only observable through microscopic characterization, and X-ray diffraction alone could not rule out the presence of such secondary phases. “Ideal” macroscopic antiferroelectric polarization-electric field double hysteresis curves were observed despite (at times) the large presence of secondary phases. However, reduced saturation polarization and increased phase transition electric fields were observed concomitantly with the presence of secondary phase(s) and tentatively assigned to the voltage drop across the ZrO x nanocrystals. Based on these results, it is imperative that the presence of secondary phases always be addressed (beyond X-ray diffraction spectra) in order to correctly evaluate the properties of antiferroelectric films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crystallization of Ammonium Heptamolybdate for Reduction to Mo Metal

The 100 Mo/ 98 Mo recycle process developed by Argonne National Laboratory in collaboration with Oak Ridge National Laboratory (ORNL) and supported by the U.S. Department of Energy (DOE) National Nuclear Security Agency’s (NNSA’s) Office of Material Management & Minimization (M3) is vital to sustaining the economic production of 99 Mo. The high-yield molybdenum solution extraction (MOEX) process recovers enriched Mo by acidifying spent generator solutions, extracting Mo using tri-n-butyl phosphate (TBP), and stripping Mo into ammonium hydroxide, where it is later converted to solid (NH 4 ) 6 M 07 O 24 (ammonium heptamolybdate or AHM) by crystallization. It is important to produce the AHM product with consistent particle size and morphology before its thermal treatment and reduction to Mo metal in a furnace. AHM particles that are too small (< 50 µm) result in Mo metal powder that is much too fine to properly fabricate into targets with optimum properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High Energy Hydroforming Friction Stir Welded 2050 Al-Li Blanks for Aerospace Domes and Cones

Friction stir welded (FSW) aluminum blanks offer larger preform sizes than available from the mill in single width plates. Large blanks made from aerospace-grade aluminum alloys are essential for making large domes and cones for launch vehicles and crew vehicles. Previous research efforts have demonstrated >5m FSW blanks can be formed into large domes or cones using spin forming, but the subsequent solution heat treatment consistently led to abnormal grain growth (AGG). The AGG phenomenon occurs because the FSW blanks must be spin formed in the -O annealed temper to withstand the high strain process without cracking. Subsequently, the solution heat treatment process leads to the onset of AGG, whereby a small number of grains grow much larger than the surrounding matrix. Ultimately, the large grains and bimodal grain-size distribution leads to unacceptable ductility in the short-transverse direction of the part. Alternatively, explosive hydroforming is a nascent process that can be applied to large and thick aerospace-grade aluminum alloy blanks in the -T3 temper and only require a post-forming artificial aging process to a -T8. Avoiding the solution heat treatment (SHT) process mitigates AGG, and also eliminates the need for very rare drop-furnace quench baths that can accommodate a part size larger than 5m in diameter. This presentation summarizes a Lockheed Martin-led effort that demonstrated explosive hydroforming of a 1.9m diameter, 39mm thick 2050 aluminum lithium FSW blank. Details will be provided on the process flow, mechanical properties, and metallographic analyses. This work was performed in partnership with NASA Langley Research Center (LaRC) under a NASA Announcement of Collaboration Opportunities program.

Friction stir welded blank↗

Sketch-To-Solution: An Exploration of Viscous CFD with Automatic Grids

Numerical simulation of the Reynolds-averaged Navier–Stokes (RANS) equations has become a critical tool for the design of aerospace vehicles. However, the issues that affect the grid convergence of three dimensional RANS solutions are not completely understood, as documented in the AIAA Drag Prediction Workshop series. Grid adaption methods have the potential for increasing the automation and discretization error control of RANS solutions to impact the aerospace design and certification process. The realization of the CFD Vision 2030 Study includes automated management of errors and uncertainties of physics-based, predictive modeling that can set the stage for ensuring a vehicle is in compliance with a regulation or specification by using analysis without demonstration in flight test (i.e., certification or qualification by analysis). For example, the Cart3D inviscid analysis package has automated Cartesian cut-cell gridding with output-based error control. Fueled by recent advances in the fields of anisotropic grid adaptation, error estimation, and geometry modeling, a similar work flow is explored for viscous CFD simulations; where a CFD application engineer provides geometry, boundary conditions, and flow parameters, and the sketch-to-solution process yields a CFD simulation through automatic, error-based, grid adaptation.

Kleb, William L.↗

Challenges and Solutions in Operation and Lay-Up of the Modular Caustic- Side Solvent Extraction Unit - 20078

The Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) was designed and constructed to provide interim salt waste processing so that the Liquid Waste Disposition Program (LWDP) could continue waste removal and tank closure until start-up of the Salt Waste Processing Facility (SWPF). MCU processes Clarified Salt Solution (CSS), or salt solution (SS) that has undergone actinide removal/filtration, to produce two waste streams: the cesium laden Strip Effluent (SE), which is incorporated into glass at the Defense Waste Processing Facility (DWPF), and the cesium depleted Decontaminated SS (DSS), which is incorporated into grout at the Saltstone Production Facility (SPF). MCU completed start-up in 2008 with an initial operating life of 3 years and design life of 5 years. Prior to reaching the end of the design life, multiple critical components were upgraded and/or replaced to mitigate risks associated with any delays in SWPF start-up. During the remainder of operation (until June 2019), MCU was challenged to maximize processing with minimal additional modifications to repair/improve aging infrastructure, while maintaining low levels of risk to workers and the environment. Notable challenges during the extended operating life of the facility involved both mechanical and operational issues. Two of the most significant issues were the increased frequency of Process Vessel Ventilation (PVV) High Efficiency Particulate Air (HEPA) filter change-outs and the biofouling of the SE coalescer (SEC). The major impacts of both issues were that replacement of these components 1) resulted in high exposure to workers, and 2) required substantial downtime, thus hindering achievement of processing goals. PVV HEPA filter replacements are required based on dose rate and differential pressure (dP) limits. After introducing a higher-curie feed to MCU, the operating time between change outs was reduced by approximately half. SEC replacements are required based on dP limits. After restarting from an extended outage, the operating life of the SEC was significantly reduced by more than half due to biofouling. As a result of extensive troubleshooting and process improvements, the facility was able to recover performance and extend the operating life of the PVV HEPA filters and the SEC media. Through troubleshooting both of these issues, the facility was also able to learn from prior experience and adapt in order to minimize down time and maintain throughput. Although the facility took advantage of short periods of downtime to perform nonintrusive troubleshooting and minor corrective/preventative maintenance activities, longer outages were periodically required for corrective maintenance involving process cell entry. During these outages, remote tools and specialized shield plates were employed to minimize dose to workers. Mock-ups of non-routine maintenance activities were critical to early identification of potential issues and improvements, which shortened outage duration. Consistent with the facility's operational strategy, evolutions needed for MCU layup were identified and sequenced to ensure safe conditions within the facility, meet pre-defined criteria for lay-up configuration, and protect workers, while minimizing the impact to SWPF integration. De-inventory and flushing of process areas was prioritized so that the total residual inventory was reduced as efficiently as possible. This paper discusses lessons learned and best practices from troubleshooting unique issues, performing complex maintenance activities, and implementing a layup strategy that best supports the overall system mission. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗