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NASA NTRSDate not supplied

Thermal Modelling of the In-Situ Consolidation of Automated Fiber Placement Of Thermoplastic Composites

NASA is developing carbon fiber reinforced thermoplastic composites processing methods under the Hi-rate Composites Aircraft Manufacturing (HiCAM) project. The in-situ consolidation automated fiber placement (AFP) of thermoplastics (ICAT) process has high potential to increase manufacturing throughput and lower costs as it combines the repeatability and fast lay down rates of AFP with the thermoformability of thermoplastic materials to achieve part consolidation out of the autoclave. Physics-based process models are employed in the ICAT process development to understand, fundamentally, the thermal response of the carbon fiber (CF)/polyaryletherketone (PAEK) material during the rapid heating and cooling associated with laser-assisted AFP. A one-dimensional (1-D) closed-form model was developed capable of predicting the temperature profile through-the-thickness of the tape material. In addition, a two-dimensional (2-D) model was developed to predict the heat transfer through-the-thickness and in the laydown x-direction of the AFP head motion. The solution of the Fourier heat-transfer equations in the 2-D model is approximated using the explicit finite difference numerical method. The temperature profile during placement of PAEK slit-tape materials at various laser target temperatures and placement speeds were measured during ICAT process development trials at Electroimpact®, Inc. †† and the resulting experimental data is compared with the predictions of the 1-D and 2-D models.

Christopher J. Stelter↗
NASA NTRSDate not supplied

System Modeling of a Lunar Molten Regolith Electrolysis Plant

Introduction: In-Situ Resource Utilization (ISRU) is the process of extracting local resources to produce commodities for propulsion, life support systems, and off-planet construction rather than transporting consumables from Earth. Molten Regolith Electrolysis (MRE) is a novel ISRU method of extracting oxygen gas and metal alloy from lunar regolith. The MRE process involves placing lunar regolith between two electrodes, through which current is passed, to melt the regolith and reduce the metal oxide constituents by direct electrolysis (e.g. FeO, SiO2, MgO, Al2O3) into oxygen gas and metal alloys. The oxygen is liquefied and used as propellant for landers, while the metals (e.g. Ferro-alloys) are further processed and used in structural building materials and parts manufacturing. A system model was developed that accounted for the major processes of an MRE plant (from excavation of raw materials to storage of products) to assess the feasibility of a lunar MRE plant. The System Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) team utilized its previously documented system sizing model, the Mission Analysis and Integration Tool (MAIT) [1] as framework of the system model. MAIT uses MATLAB/Simulink to integrate subsystem models into a complete system model of the MRE plant. Total mass, volume, and power requirements were computed for numerous iterations of a MRE plant. System Model: Figure 1: MRE Plant Block Diagram The regolith excavation model determines the mass and power needed to excavate sufficient regolith. The preheating auger initiates the regolith heating process before regolith enters the MRE re-actor to reduce the energy required to turn the solid into a molten liquid. The MRE reactor is modeled in COMSOL Multiphysics and based on the research by Dominguez, Sibille, and Schreiner [2, 3, 4]. This preliminary reactor model provides an accurate calculation of thermal equilibrium during electrochemical operation of the reactor system to assess the optimal mass and power required to process the inlet flow of regolith. The model also computes the outlet flowrates of oxygen and molten products. For this analysis, the primary components of the metal alloy considered were iron and silicon. The oxygen is then purified using an Yttrium Stabilized Zirconia (YSZ) electrode, followed by liquefaction using a 90K cryocooler to be stored as liquid oxygen in insulated cylindrical tanks. In future iterations of the system model, the molten metal tapped from the MRE reactor will undergo additional processing or refinement. However, downstream handling of metals is currently a technology gap that is missing a high TRL subsystem model. Therefore, for this analysis, the accumulated metal alloy stream terminates after leaving the MRE reactor. Study Goals: This analysis investigates multiple input variables to the system to determine the sensitivity of a (near) complete plant at full-scale. This preliminary investigation ran parametric sweeps on the MRE reactor geometry, electrical current supply, layers of multi-layer insulation (MLI) on the reactor, size of the electrodes in the oxygen purification model, and regolith composition (based on landing site location). Three production targets of oxygen (1,000, 10,000, and 50,000 kg/yr) were investigated for this analysis. The parametric sweeps conducted in this analysis provide valuable insight into the expected impact of the various model inputs on plant size. This information can be used to identify the most critical components of the plant and guide future decisions on allocating funding for research and development, providing subsystem developers with appropriate interfaces with downstream and upstream processes, and assessing the overall feasibility of MRE when compared to other ISRU plants. References: [1] Carlson, A. et al. (2024) ICES, ICES-2024-53. [2] Dominguez, D.A., and Sibille, L. (2011) AIAA, AIAA-2011-700. [3] Schreiner, S.S. (2015) MIT, Dissertation. [4] Schreiner, S.S. et al. (2016) ASR, 57(7), pp.1585-1603.

ISRU↗
DOE OSTI2022

Modular Adaptive Packing for Integrally Cooled Absorbers

Process intensification is one cornerstone in ION Clean Energy’s (ION) efforts to lowering CO2 capture cost. ION has modeled, designed, and fabricated an innovative gas-liquid contactor known as Modular Adaptive Packing (MAP). During two successful SBIR Phase I and II projects entitled: “Rapid Design and Testing of Novel Gas-Liquid Contacting Devices for Post-Combustion CO2 Capture via 3D-printing”, ION developed and proved this new technology at bench scale. MAP, a 3D-printed lattice-structured packing, combines the absorber gas/liquid contactor with an innovative in-situ heat-exchanger. Thanks to the capabilities of 3D-printing, the lattice structure of MAP contains hollow channels through which coolant water can be pumped to remove the heat of reaction from CO2 absorption. ION refers to this novel method of heat exchange as intracooling. After 25.4 cm (10 in) diameter MAP modules were fabricated, ION built and tested a packing characterization rig at its pilot facility in Boulder, Colorado, U.S.A. To provide baseline results for the characterization rig, ION tested Sulzer’s Mellapak™ 250Y (MP250Y) as a standard structured packing. ION’s MAP was then compared directly to the baseline MP250Y packing to evaluate key indicators including pressure drop, liquid hold-up, and effective area. MAP has a higher pressure drop than MP250Y at the same gas velocities in addition to greater liquid holdup. However, ION found that MAP displays a higher wetting coverage of 93% compared to 65% for MP250Y and reduces shearing forces that result in undesirable droplet formation. Using Optimized Gas Treating’s (OGT) rate-based simulation software ProTreat®, a conceptual evaluation of MAP was modeled for a CO2 absorber using 30 wt% MEA solvent over a range of lean loadings at 90% CO2 capture from a coal-fired power plant. ION modeled a 25-meter column absorber for both the standard MP250Y packing and a hybrid column. The hybrid absorber contained 10 m of MP250Y packing at the top and bottom with the middle 5 meters comprised of MAP. Compared to a traditional intercooled absorber, MAP can remove 22% more heat and increase overall MEA carrying capacity by 4% without increasing overall pressure drop.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS2019

Prebiotic Chemistry of Pluto

We present the case for the presence of complex organic molecules, such as amino acids and nucleobases, formed by abiotic processes on the surface and in near-subsurface regions of Pluto. Pluto's surface is tinted with a range of non-ice substances with colors ranging from light yellow to red to dark brown; the colors match those of laboratory organic residues called tholins. Tholins are broadly characterized as complex, macromolecular organic solids consisting of a network of aromatic structures connected by aliphatic bridging units (e.g., Imanaka et al.,2004; Materese et al.,2014, 2015). The synthesis of tholins in planetary atmospheres and in surface ices has been explored in numerous laboratory experiments, and both gas- and solid-phase varieties are found on Pluto. A third variety of tholins, exposed at a site of tectonic surface fracturing called Virgil Fossae, appears to have come from a reservoir in the subsurface. Eruptions of tholin-laden liquid H2O from a subsurface aqueous repository appear to have covered portions of Virgil Fossae and its surroundings with a uniquely colored deposit (D.P. Cruikshank, personal communication) that is geographically correlated with an exposure of H2O ice that includes spectroscopically detected NH3 (C.M. Dalle Ore, personal communication). The subsurface organic material could have been derived from presolar or solar nebula processes, or might have formed in situ. Photolysis and radiolysis of a mixture of ices relevant to Pluto's surface composition (N2, CH4, CO) have produced strongly colored, complex organics with a significant aromatic content having a high degree of nitrogen substitution similar to the aromatic heterocycles pyrimidine and purine (Materese et al.,2014, 2015; Cruikshank et al.,2016). Experiments with pyrimidines and purines frozen in H2O-NH3 ice resulted in the formation of numerous nucleobases, including the biologically relevant guanine, cytosine, adenine, uracil, and thymine (Materese et al.,2017). The red material associated with the H2O ice may contain nucleobases resulting from energetic processing on Pluto's surface or in the interior. Some other Kuiper Belt objects also exhibit red colors similar to those found on Pluto and may therefore carry similar inventories of complex organic materials. The widespread and ubiquitous nature of similarly complex organic materials observed in a variety of astronomical settings drives the need for additional laboratory and modeling efforts to explain the origin and evolution of organic molecules. Pluto observations reveal complex organics on a small body that remains close to its place of origin in the outermost regions of the Solar System.

Cruikshank, D. P.↗
DOE OSTI2020

Electro-strengthening of the additively manufactured Ti–6Al–4V alloy

Structure-property-processing relationship has been studied in additively manufactured Ti–6Al–4V alloy. The processing was performed using in-situ electron microscope (EM) at a moderate current density of 5 × 105 A/cm2 applied for 5 min, and by suppressing Joule heating with massive heat sinks such that the temperature rise was <180 °C and the mechanical properties were not compromised. Overall, the results show that while the grain size increased by ~15%, the nanohardness increased by 16%. This is attributed to the pronounced dislocation generation, regeneration, and clustering as well as defect healing. Ultimately, there is a reduction in the residual strain and a significant increase in the intrinsic strength as evidenced by the high Taylor factor of the electric current processed specimen. This novel processing technique represents an alternative pathway for active controlling of microstructure and internal defects for parts that might be sensitive to high-temperature processing or conventional methods.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Space-Time Controls on Carbon Sequestration Over Large-Scale Amazon Basin

A major research focus of the LBA Ecology Program is an assessment of the carbon budget and the carbon sequestering capacity of the large scale forest-pasture system that dominates the Amazonia landscape, and its time-space heterogeneity manifest in carbon fluxes across the large scale Amazon basin ecosystem. Quantification of these processes requires a combination of in situ measurements, remotely sensed measurements from space, and a realistically forced hydrometeorological model coupled to a carbon assimilation model, capable of simulating details within the surface energy and water budgets along with the principle modes of photosynthesis and respiration. Here we describe the results of an investigation concerning the space-time controls of carbon sources and sinks distributed over the large scale Amazon basin. The results are derived from a carbon-water-energy budget retrieval system for the large scale Amazon basin, which uses a coupled carbon assimilation-hydrometeorological model as an integrating system, forced by both in situ meteorological measurements and remotely sensed radiation fluxes and precipitation retrieval retrieved from a combination of GOES, SSM/I, TOMS, and TRMM satellite measurements. Brief discussion concerning validation of (a) retrieved surface radiation fluxes and precipitation based on 30-min averaged surface measurements taken at Ji-Parana in Rondonia and Manaus in Amazonas, and (b) modeled carbon fluxes based on tower CO2 flux measurements taken at Reserva Jaru, Manaus and Fazenda Nossa Senhora. The space-time controls on carbon sequestration are partitioned into sets of factors classified by: (1) above canopy meteorology, (2) incoming surface radiation, (3) precipitation interception, and (4) indigenous stomatal processes varied over the different land covers of pristine rainforest, partially, and fully logged rainforests, and pasture lands. These are the principle meteorological, thermodynamical, hydrological, and biophysical control paths which perturb net carbon fluxes and sequestration, produce time-space switching of carbon sources and sinks, undergo modulation through atmospheric boundary layer feedbacks, and respond to any discontinuous intervention on the landscape itself such as produced by human intervention in converting rainforest to pasture or conducting selective/clearcut logging operations.

Smith, Eric A.↗
DOE OSTI2023

Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction

Transition-metal oxyhydroxides are attractive catalysts for oxygen evolution reactions (OERs). Further studies for developing transition-metal oxyhydroxide catalysts and understanding their catalytic mechanisms will benefit their quick transition to the next catalysts. Herein, Mo-doped CoOOH was designed as a high-performance model electrocatalyst with durability for 20 h at 10 mA cm -2 . Additionally, it had an overpotential of 260 mV (glassy carbon) or 215 mV (nickel foam), which was 78 mV lower than that of IrO 2 (338 mV). In situ, Raman spectroscopy revealed the transformation process of CoOOH. Calculations using the density functional theory showed that during OER, doped Mo increased the spin-up density of states and shrank the spin-down bandgap of the 3d orbits in the reconstructed CoOOH under the electrochemical activation process, which simultaneously optimized the adsorption and electron conduction of oxygen-related intermediates on Co sites and lowered the OER overpotentials. Our research provides new insights into the methodical planning of the creation of transition-metal oxyhydroxide OER catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Quantifying the Seasonal and Interannual Variability of North American Isoprene Emissions Using Satellite Observations of the Formaldehyde Column

Quantifying isoprene emissions using satellite observations of the formaldehyde (HCHO) columns is subject to errors involving the column retrieval and the assumed relationship between HCHO columns and isoprene emissions, taken here from the GEOS-CHEM chemical transport model. Here we use a 6-year (1996-2001) HCHO column data set from the Global Ozone Monitoring Experiment (GOME) satellite instrument to (1) quantify these errors, (2) evaluate GOME-derived isoprene emissions with in situ flux measurements and a process-based emission inventory (Model of Emissions of Gases and Aerosols from Nature, MEGAN), and (3) investigate the factors driving the seasonal and interannual variability of North American isoprene emissions. The error in the GOME HCHO column retrieval is estimated to be 40%. We use the Master Chemical Mechanism (MCM) to quantify the time-dependent HCHO production from isoprene, alpha- and beta-pinenes, and methylbutenol and show that only emissions of isoprene are detectable by GOME. The time-dependent HCHO yield from isoprene oxidation calculated by MCM is 20-30% larger than in GEOS-CHEM. GOME-derived isoprene fluxes track the observed seasonal variation of in situ measurements at a Michigan forest site with a -30% bias. The seasonal variation of North American isoprene emissions during 2001 inferred from GOME is similar to MEGAN, with GOME emissions typically 25% higher (lower) at the beginning (end) of the growing season. GOME and MEGAN both show a maximum over the southeastern United States, but they differ in the precise location. The observed interannual variability of this maximum is 20-30%, depending on month. The MEGAN isoprene emission dependence on surface air temperature explains 75% of the month-to-month variability in GOME-derived isoprene emissions over the southeastern United States during May-September 1996-2001.

Palmer, Paul I.↗
DOE OSTI2025

Low embodied energy and carbon, high lifetime silicon boules via a combined chemical vapor deposition/float zone process

This work evaluates a new process route to making float zone (Fz)-quality silicon wafers using a combination of computational fluid dynamics (CFD) modeling and technoeconomic analysis. Our analysis finds that the new process competes with Czochralski (Cz)-grown wafers on a levelized cost of energy system level. The new process also decreases embodied energy and carbon of silicon photovoltaics (PV) by ~6x circumventing the energy-costly Siemens process used in polycrystalline silicon (poly-Si) production plants to generate feedstock for Fz and Cz boules. Instead of using poly-Si from the Siemens process to feed crystallization, the new process uses the high-purity, trichlorosilane (TCS) precursor gas to grow a poly-Si feed rod in-situ during a modified Fz1,2 boule growth process. The gas-to-boule float zone process enables opportunity to produce high-purity (low metals and oxygen content), uniformly doped single crystal silicon boules and wafers with high bulk lifetimes (τ bulk > 15 ms) to enable higher efficiency cells (>27 %) with fewer known degradation mechanisms than Czochralski (Cz)-grown wafers. These benefits reduce the levelized cost of electricity (LCOE) of PV-produced electricity. Here we show the results of our CFD and chemical modeling of the process to prove feasibility and economic viability.

14 SOLAR ENERGY↗
DOE OSTI2022

Native lattice strain induced structural earthquake in sodium layered oxide cathodes

Abstract High-voltage operation is essential for the energy and power densities of battery cathode materials, but its stabilization remains a universal challenge. To date, the degradation origin has been mostly attributed to cycling-initiated structural deformation while the effect of native crystallographic defects induced during the sophisticated synthesis process has been significantly overlooked. Here, using in situ synchrotron X-ray probes and advanced transmission electron microscopy to probe the solid-state synthesis and charge/discharge process of sodium layered oxide cathodes, we reveal that quenching-induced native lattice strain plays an overwhelming role in the catastrophic capacity degradation of sodium layered cathodes, which runs counter to conventional perception—phase transition and cathode interfacial reactions. We observe that the spontaneous relaxation of native lattice strain is responsible for the structural earthquake (e.g., dislocation, stacking faults and fragmentation) of sodium layered cathodes during cycling, which is unexpectedly not regulated by the voltage window but is strongly coupled with charge/discharge temperature and rate. Our findings resolve the controversial understanding on the degradation origin of cathode materials and highlight the importance of eliminating intrinsic crystallographic defects to guarantee superior cycling stability at high voltages.

25 ENERGY STORAGE↗
NASA NTRS1992

The Global Ocean Observing System

A Global Ocean Observing System (GOOS) should be established now with international coordination (1) to address issues of global change, (2) to implement operational ENSO forecasts, (3) to provide the data required to apply global ocean circulation models, and (4) to extract the greatest value from the one billion dollar investment over the next ten years in ocean remote sensing by the world's space agencies. The objectives of GOOS will focus on climatic and oceanic predictions, on assessing coastal pollution, and in determining the sustainability of living marine resources and ecosystems. GOOS will be a complete system including satellite observations, in situ observations, numerical modeling of ocean processes, and data exchange and management. A series of practical and economic benefits will be derived from the information generated by GOOS. In addition to the marine science community, these benefits will be realized by the energy industries of the world, and by the world's fisheries. The basic oceanic variables that are required to meet the oceanic and predictability objectives of GOOS include wind velocity over the ocean, sea surface temperature and salinity, oceanic profiles of temperature and salinity, surface current, sea level, the extent and thickness of sea ice, the partial pressure of CO2 in surface waters, and the chlorophyll concentration of surface waters. Ocean circulation models and coupled ocean-atmosphere models can be used to evaluate observing system design, to assimilate diverse data sets from in situ and remotely sensed observations, and ultimately to predict future states of the system. The volume of ocean data will increase enormously over the next decade as new satellite systems are launched and as complementary in situ measuring systems are deployed. These data must be transmitted, quality controlled, exchanged, analyzed, and archived with the best state-of-the-art computational methods.

Kester, Dana↗
NASA NTRSDate not supplied

Three-Dimensional Reconstruction of Defects and Structures in Additively Manufactured Parts with Automated Serial Sectioning

Metal additive manufacturing (AM) processes have been demonstrated to be effective at reducing costs and lead times associated with complex components for space flight applications. Laser powderbed fusion (L-PBF) is a commonly used AM technology due to the ability to produce complex parts with fine feature resolution in a wide variety of alloys and applications. L-PBF, like many other manufacturing processes, can produce minor flaws in parts when in nominal operation as well as process-escape defects when process abnormalities occur. The effects of the flaws and methods of detecting the flaws are a subject of interest to understand the difficulties in detecting these flaws with current technology and how much risk the flaws or defects pose to potential flight parts. Using a RoboMet.3D automated serial sectioning system, seeded defects as well as minor process flaws can be imaged and reconstructed in three dimensions to compare to non-destructive evaluation (NDE) techniques, such as x-ray computed tomography (CT), neutron CT, and in-situ monitoring. The RoboMet automates the metallography process by automatically grinding, polishing, and imaging samples in a single system and providing the control data for NDE comparisons to know the real size of defects built into coupons. These comparisons provide an understanding behind the technological limitations of the NDE techniques for different alloys. The same serial sectioning methods have also been utilized to characterize the surfaces of parts to reconstruct the surfaces and take measurements of internal features not easily examined with non-destructive methods. Using the RoboMet, fine lattice structures built with L-PBF have been characterized to determine the actual thicknesses of struts and density of the lattice structures. These structures have been used as finer build supports for the L-PBF process, designs for fine catalysts, and other design considerations for small components. The RoboMet data helps to inform the modeling and design efforts around these fine components.

additive manufacturing↗
DOE OSTI2025

Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization

Autonomous synthesis platforms promise rapid exploration of vast parameter spaces; yet, integrating in situ structural characterization in closed-loop synthesis optimization remains challenging. We demonstrate a realization of such a closed-loop platform coupled with a droplet-flow microreactor, in situ X-ray scattering methods (SAXS/WAXS), and Gaussian process optimization to synthesize citrate-reduced Au nanoparticles with targeted characteristics. The system efficiently explored ∼19,000 synthesis recipes through 365 experiments, achieving precise control over size (4–60 nm) and polydispersity (σ < 0.11) across large citrate/gold ratios, exceeding traditional synthesis boundaries (1–10). Beyond confirming classical Turkevich–Frens trends, partial-dependence analysis revealed strong nonlinear coupling among precursor, citrate, and pH effects. Combining quantitative SAXS/WAXS analysis with electron microscopy characterization, we uncovered that crystallite size (d c ) and particle size (d) follow d c = 0.18d + β, where synthesis chemistry controls the intercept β while maintaining a universal slope. This parallel-band structure enables independent tuning of crystallite domain size at fixed particle diameter through a combination of chloride, gold precursor, citrate, and pH contributions (cross-validated Spearman ρ = 0.7 ± 0.1). High-resolution electron microscopy shows multiple lattice-fringe orientations within single particles, directly confirming polycrystalline domains and the ability to tune d c at the fixed d. The platform’s validation includes indistinguishable static versus flowing measurements, stable droplet transport at 100 °C, and <5% run-to-run variation, establishing a robust framework for mapping and controlling multiscale nanoparticle structure across expansive chemical spaces. In conclusion, the developed closed-loop platform can be applied to a borad range of nanosyntheis processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Advanced one-pot deconstruction and valorization of lignocellulosic biomass into triacetic acid lactone using Rhodosporidium toruloides

Abstract Background Rhodosporidium toruloides is capable of co-utilization of complex carbon sources and robust growth from lignocellulosic hydrolysates. This oleaginous yeast is therefore an attractive host for heterologous production of valuable bioproducts at high titers from low-cost, deconstructed biomass in an economically and environmentally sustainable manner. Here we demonstrate this by engineering R. toruloides to produce the polyketide triacetic acid lactone (TAL) directly from unfiltered hydrolysate deconstructed from biomass with minimal unit process operations. Results Introduction of the 2-pyrone synthase gene into R. toruloides enabled the organism to produce 2.4 g/L TAL from simple media or 2.0 g/L from hydrolysate produced from sorghum biomass. Both of these titers are on par with titers from other better-studied microbial hosts after they had been heavily engineered. We next demonstrate that filtered hydrolysates produced from ensiled sorghum are superior to those derived from dried sorghum for TAL production, likely due to the substantial organic acids produced during ensiling. We also demonstrate that the organic acids found in ensiled biomass can be used for direct synthesis of ionic liquids within the biomass pretreatment process, enabling consolidation of unit operations of in-situ ionic liquid synthesis, pretreatment, saccharification, and fermentation into a one-pot, separations-free process. Finally, we demonstrate this consolidation in a 2 L bioreactor using unfiltered hydrolysate, producing 3.9 g/L TAL. Conclusion Many steps involved in deconstructing biomass into fermentable substrate can be combined into a distinct operation, and directly fed to cultures of engineered R. toruloides cultures for subsequent valorization into gram per liter titers of TAL in a cost-effective manner.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2024

System Modeling of a Lunar Molten Regolith Electrolysis Plant

In-Situ Resource Utilization (ISRU) is the process of extracting local resources to produce commodities for propulsion, life support systems, and off-planet construction rather than transporting consumables from Earth. Molten Regolith Electrolysis (MRE) is a novel ISRU method of extracting oxygen gas and metal alloy from lunar regolith. The MRE process involves placing lunar regolith between two electrodes, through which current is passed, to melt the regolith and reduce the metal oxide constituents by direct electrolysis (e.g. FeO, SiO 2 , MgO, Al 2 O 3 ) into oxygen gas and metal alloys. The oxygen is liquefied and used as propellant for landers, while the metals (e.g. Ferro-alloys) are further processed and used in structural building materials and parts manufacturing. A system model was developed that accounted for the major processes of an MRE plant (from excavation of raw materials to storage of products) to assess the feasibility of a lunar MRE plant. The S ystem Engineering and Integration ( S E&I) I SRU M odeling and A nalysis (SIMA) team utilized its previously documented system sizing model, the Mission Analysis and Integration Tool (MAIT) as framework of the system model. MAIT uses MATLAB/Simulink to integrate subsystem models into a complete system model of the MRE plant. Total mass, volume, and power requirements were computed for numerous iterations of a MRE plant.

In-Situ Resource Utilization↗
NASA NTRSDate not supplied

Evaluating Lunar Water Processing System Model Configurations for Small Scale Oxygen and Hydrogen Production Within JAXA’s ISRU Technology Demonstration Plant

In-Situ Resource Utilization (ISRU) refers to novel methods of extracting and processing local resources for use in life support and propulsion systems, reducing or eliminating the required consumables to be transferred from Earth. Current estimates of water-ice availability embedded in regolith within the Moon’s permanently shadowed regions (PSR’s)range between 1-5% by weight. However, the composition and characteristics of the “wet” regolith is unknown. Alternate ISRU excavation techniques and Concept of Operations (ConOps) must be explored to optimize surface system operations based on these factors. To assess the feasibility of different ISRU subsystem technologies and compare system architecture configurations, an interchangeable system model was generated to incorporate technologies spanning excavation of raw materials to storage of products and determine optimal arrangement of total system processing needs. Total Mass, Volume, and Power (M/V/P) requirements were computed for 168 design iterations of this water processing plant.

ISRU↗
DOE OSTI2023

Thiol‐Functionalized Conjugated Metal–Organic Frameworks for Stable and Efficient Perovskite Photovoltaics

Abstract Metal–organic frameworks (MOFs) have been investigated recently in perovskite photovoltaics owing to their potential to boost optoelectronic performance and device stability. However, the impact of variations in the MOF side chain on perovskite characteristics and the mechanism of MOF/perovskite film formation remains unclear. In this study, three nanoscale thiol‐functionalized UiO‐66‐type Zr‐based MOFs (UiO‐66‐(SH) 2 , UiO‐66‐MSA, and UiO‐66‐DMSA) are systematically employed and examined in perovskite solar cells (PSCs). Among these MOFs, UiO‐66‐(SH) 2 , with its rigid organic ligands, exhibited a strong interaction with perovskite materials with more efficient suppression of perovskite vacancy defects. More importantly, A detailed and in‐depth discussion is provided on the formation mechanism of UiO‐66‐(SH) 2 ‐assisted perovskite film upon in situ GIWAXS performed during the annealing process. The incorporation of UiO‐66‐(SH) 2 additives substantially facilitates the conversion of PbI 2 into the perovskite phase, prolongs the duration of stage I, and induces a delayed phase transformation pathway. Consequently, the UiO‐66‐(SH) 2 ‐assisted device demonstrates reduced defect density and superior optoelectronic properties with optimized power conversion efficiency of 24.09% and enhanced long‐term stability under ambient environment and continuous light illumination conditions. This study acts as a helpful design guide for desired MOF/perovskite structures, enabling further advancements in MOF/perovskite optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2020

Electron-beam-driven chemical processes during liquid phase transmission electron microscopy

Liquid phase (or liquid cell) transmission electron microscopy (LP-TEM) has been established as a powerful tool for observing dynamic processes in liquids at nanometer to atomic length scales. However, the simple act of observation using electrons irreversibly alters the nature of the sample. A clear understanding of electron beam-driven processes during LP-TEM is required to interpret in situ observations and utilize the electron beam as a stimulus to drive nanoscale dynamic processes. In this review, we discuss recent advances toward understanding, quantifying, mitigating, and harnessing electron beam-driven chemical processes occurring during LP-TEM. We will highlight progress in several research areas, including modeling electron beam-induced radiolysis near interfaces, electron beam-induced nanocrystal formation, and radiation damage of soft materials and biomolecules.

Woehl, Taylor J.↗