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At least 199 records · Page 11

Design and the parametric testing of the space station prototype integrated vapor compression distillation water recovery module

Potable water for the Space Station Prototype life support system is generated by the vapor compression technique of vacuum distillation. A description of a complete three-man modular vapor compression water renovation loop that was built and tested is presented; included are all of the pumps, tankage, chemical post-treatment, instrumentation, and controls necessary to make the loop representative of an automatic, self-monitoring, null gravity system. The design rationale is given and the evolved configuration is described. Presented next are the results of an extensive parametric test during which distilled water was generated from urine and urinal flush water with concentration of solids in the evaporating liquid increasing progressively to 60 percent. Water quality, quantity and production rate are shown together with measured energy consumption rate in terms of watt-hours per kilogram of distilled water produced.

Reveley, W. F.↗

Circular Economy for Energy Materials: Designing to Reduce, Reuse, and Upcycle for a More Sustainable Planet

Our global economy is on the cusp of a dramatic transformation away from a traditional linear approach - making, using, and landfill disposing of goods - to a more circular one where end of life is considered at the onset and the concepts of reducing, reusing, and chemically recycling or upcycling of goods becomes the new norm. Conventional/mechanical recycling is applicable to some materials but is underused and ineffective for a true circular economy vision. This vision ensures raw materials are used once to produce a product; and, at end of life, the product is chemically recycled back to its core building blocks to enable an infinite loop of product manufacture, use, deconstruction, and remanufacture.

CEEM↗

Sensor-Web Operations Explorer

Understanding the atmospheric state and its impact on air quality requires observations of trace gases, aerosols, clouds, and physical parameters across temporal and spatial scales that range from minutes to days and from meters to more than 10,000 kilometers. Observations include continuous local monitoring for particle formation; field campaigns for emissions, local transport, and chemistry; and periodic global measurements for continental transport and chemistry. Understanding includes global data assimilation framework capable of hierarchical coupling, dynamic integration of chemical data and atmospheric models, and feedback loops between models and observations. The objective of the sensor-web system is to observe trace gases, aerosols, clouds, and physical parameters, an integrated observation infrastructure composed of space-borne, air-borne, and in-situ sensors will be simulated based on their measurement physics properties. The objective of the sensor-web operation is to optimally plan for heterogeneous multiple sensors, the sampling strategies will be explored and science impact will be analyzed based on comprehensive modeling of atmospheric phenomena including convection, transport, and chemical process. Topics include system architecture, software architecture, hardware architecture, process flow, technology infusion, challenges, and future direction.

observation↗

Harnessing biomimetic cryptic bonds to form self-reinforcing gels

Cryptic sites, which lay hidden in folded biomolecules, become exposed by applied force and form new bonds that reinforce the biomaterial. While these binding interactions effectively inhibit mechanical deformation, there are few synthetic materials that harness mechano-responsive cryptic sites to forestall damage. Here, we develop a computational model to design polymer gels encompassing cryptic sites and a lower critical solution temperature (LCST). LCST gels swell with a decrease in temperature, thereby generating internal stresses within the sample. The gels also encompass loops held together by the cryptic sites, as well as dangling chains with chemically reactive ends. A decrease in temperature or an applied force causes the loops to unfold and expose the cryptic sites, which then bind to the dangling chains. We show that these binding interactions act as “struts” that reinforce the network, as indicated by a significant decrease in the volume of the gel (from 44% to 80%) and shifts in the volume phase transition temperature. Once the temperature is increased or the deformation is removed, the latter “cryptic bonds” are broken, allowing the loops to refold and the gel to return to its original state. These findings provide guidelines for designing polymer networks with reversible, mechano-responsive bonds, which allow gels to undergo a self-stiffening behavior in response to a temperature-induced internal stress or external force. When applied as a coating, these gels can prevent the underlying materials from undergoing damage and thus, extend the lifetime of the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure, dynamics, and redox reactivity of an all-purpose flavodoxin

The flavodoxin of Rhodopseudomonas palustris CGA009 (Rp9Fld) supplies highly reducing equivalents to crucial en- zymes such as hydrogenase, especially when the organism is iron-restricted. By acquiring those electrons from photodriven electron flow via the bifurcating electron transfer flavoprotein, Rp9Fld provides solar power to vital metabolic processes. To understand Rp9Fld’s ability to work with diverse partners, we solved its crystal structure. We observed the canonical fla- vodoxin (Fld) fold and features common to other long-chain Flds but not all the surface loops thought to recognize part- ner proteins. Moreover, some of the loops display alternative structures and dynamics. To advance studies of protein– protein associations and conformational consequences, we assigned the 19F NMR signals of all five tyrosines (Tyrs). Our electrochemical measurements show that incorporation of 3- 19 F-Tyr in place of Tyr has only a modest effect on Rp9Fld’s redox properties even though Tyrs flank the flavin on both sides. Meanwhile, the 19 F probes demonstrate the expected paramagnetic effect, with signals from nearby Tyrs becoming broadened beyond detection when the flavin semiquinone is formed. However, the temperature dependencies of chemical shifts and linewidths reveal dynamics affecting loops close to the flavin and regions that bind to partners in a variety of systems. These coincide with patterns of amino acid type conservation but not retention of specific residues, arguing against detailed specificity with respect to partners. We pro- pose that the loops surrounding the flavin adopt altered con- formations upon binding to partners and may even participate actively in electron transfer.

19F NMR↗

Ingeniously enhanced ferromagnetism in chemically-reduced 2D Ti 3 C 2 T X MXene

Chemical reduction is a facile and cost-effective technique for the modulation of the physical and chemical properties of nanomaterials. In this work, we demonstrate an enhancement of the magnetic behavior of Ti 3 C 2 T x MXene after its chemical reduction via l-ascorbic acid treatment. Small ferromagnetic loops have been observed below 50 K for Ti 3 C 2 T x prepared by hydrofluoric acid (HF) etching of Al layers from Ti 3 AlC 2 . Such a ferromagnetic ordering of spins was significantly enhanced via a chemical reduction of Ti 3 C 2 T x with l-ascorbic acid. Ferromagnetic hysteresis loops were observed for reduced Ti 3 C 2 T x (r-Ti 3 C 2 T x ) up to 150 K indicating a significant upshift of the paramagnetic to the ferromagnetic transition temperature, pushing towards room temperature. The enhancement of ferromagnetism and upshift of the ferromagnetic transition temperature could be attributed to the localized unpaired electron in Ti-3d orbital of the r-Ti 3 C 2 T x crystal and increase in the number of unsaturated Ti atoms upon l-ascorbic acid treatment. Chemical reduction via l-ascorbic acid treatment shows a promising pathway towards the modulation and enhancement of magnetism in various MXene materials for the development of 2D metallic soft ferromagnets and spintronic devices.

36 MATERIALS SCIENCE↗

Clean Energy Technology Applications on US Mine Land: Technical Analysis

As the United States transitions toward a clean energy economy, an opportunity exists for redeveloping the more than 17,000 mine land sites located across the nation with clean energy technologies, which have a combined potential for generating more than 85 GW of clean electricity. This report provides an overview of the potential of demonstrating and deploying clean energy projects on current and former mine land. Clean energy project refers to a project that demonstrates one or more of the following technologies: solar; microgrids; geothermal; direct air capture; fossil-fueled electricity generation with carbon capture, utilization, and sequestration; energy storage, including pumped storage hydropower and compressed air energy storage; and advanced nuclear technologies. The report discusses the following technologies and their potential for creating jobs and generating tax revenue that would result in direct and indirect benefits to the local economy: Solar photovoltaics (PV) is being developed on current and former mine land in various parts of the world, including the United States. This approach is attractive because it requires limited infrastructure investment and would utilize the bare surfaces of mines and tailing ponds. Solar resource availability may be greater in the southern regions, including the Interior and Appalachian Basins and the southwestern United States. However, since some mine land sites include areas of significant change in elevation, the deployment of PV on mine land may require sophisticated planning to account for shading and irradiance, or may require regrading of the areas. PV does not create significant environmental risks and generally does not face public resistance; Geothermal systems are often spatially and genetically associated with ore deposits, and in some cases, they have been discovered while in search for epithermal mineral resources. Numerous diverse geothermal applications have been employed at mine land around the world, including power generation, mineral extraction from geothermal brines, process heating, direct use for other mining operations, and direct use for non-mining operations and subsurface energy storage, including geothermal heat pumps. Case studies highlighting these applications provide key lessons relating to identifying drivers and barriers to geothermal resource deployment and can be used to create screening tools for identifying the types and locations of mine land most amenable to utilizing geothermal resources; Carbon capture, utilization, and sequestration technologies include direct air capture (DAC) and enhanced weathering. DAC technologies include air contactors, regeneration systems, and CO 2 compression systems. Captured CO 2 can be converted to valuable feedstocks or possibly injected into abandoned subsurface mines where it would be absorbed by alkaline rock waste and mine tailings or by the porous minerals along the walls of the mine. DAC systems can be coupled with energy sources such as wind, solar, grid, or geothermal. Many DAC systems require a source of water or steam; however, some are expected to be net producers of water. Local impacts of DAC systems are expected to be low, and are related to land footprint, material disposal, and upstream impacts of energy and material production; Compressed air energy storage is an established energy storage technology in salt caverns. It has the potential for implementation in underground mines by pressurizing and storing a large amount of air using electrical compressors when excess electricity is available. When a need for discharge emerges, the air is used to spin turbines and produce the necessary volume of electricity. Abandoned or unused mine openings, including shafts, adits, access tunnels, and mined workings of any orientation, offer potential for vast amounts of compressed air energy storage if the site characteristics meet operational requirements; Pumped hydropower storage can be implemented in surface and subsurface mines. In surface mine applications, both reservoirs may be located in a mine pit or artificial reservoirs made of excavated materials. In subsurface mines, the lower reservoir may be implemented by waterproofing and flooding mine shafts and tunnels. The water is then pumped from the lower reservoir to the upper reservoir during periods of low load and high production, and it is discharged through the turbines during periods of peak demand. The potential environmental damages associated with acidity of mine water or the presence of toxic chemicals incentivizes the development of closed-loop technologies, in which water circulates inside the pumped hydropower facility without being discharged into the external water basins; Advanced nuclear energy technologies include small modular reactors, which can be deployed locally to produce electricity and heat. Such units require seismic stability and a supply of cooling water, but population constraints may exist in some areas. Therefore, remote mine land could represent an optimal location for siting advanced nuclear energy technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Plastic Parallel Pathways Platform - 4P Model

Global momentum is building towards a circular economy capable of keeping plastics in use and out of waste streams. Given that 79% of all plastic produced since 1950 has accumulated in landfills or the natural environment,rapid implementation of various end-of-life (EoL) management technologies will be needed to reach this target. However, it can be challenging to develop an effective plastic EoL strategy when the available options - chemical or molecular recycling, energy recovery, upcycling, downcycling, closed-loop (plastic-to-plastic) or open-loop (plastic-to-x) recycling, among others - can generate products ranging from low-grade to virgin-quality plastic and from fuels to value-added chemicals. We present a flexible material flow model capable of analyzing the effects of both plastic-to-plastic and plastic-to-x EoL management strategies on the U.S. PET economy. This Plastic Parallel Pathways Platform (4P) assesses the environmental impacts, costs, and circularity of a PET system in which waste is managed through six potential EoL pathways: landfill, incineration with energy recovery, pyrolysis to fuel oil, upcycling to glass fiber reinforced plastic (GFRP), mechanical recycling to low-grade PET, and chemical recycling (glycolysis) to bottle-grade PET. We compare the pathways across multiple metrics using multi-criteria decision analysis (MCDA) and then use a brute force algorithm to predict an optimal combination of EoL pathways to minimize greenhouse gas (GHG) emissions and costs and maximize circularity. This work highlights the need to implement a diverse portfolio of EoL strategies in parallel to enable a PET economy that meets environmental, economic, and circularity requirements simultaneously.

downcycling↗

Building workflows for an interactive human-in-the-loop automated experiment (hAE) in STEM-EELS

Exploring the structural, chemical, and physical properties of matter on the nano- and atomic scales has become possible with the recent advances in aberration-corrected electron energy-loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM). However, the current paradigm of STEM-EELS relies on the classical rectangular grid sampling, in which all surface regions are assumed to be of equal a priori interest. However, this is typically not the case for real-world scenarios, where phenomena of interest are concentrated in a small number of spatial locations, such as interfaces, structural and topological defects, and multi-phase inclusions. One of the foundational problems is the discovery of nanometer- or atomic-scale structures having specific signatures in EELS spectra. Herein, we systematically explore the hyperparameters controlling deep kernel learning (DKL) discovery workflows for STEM-EELS and identify the role of the local structural descriptors and acquisition functions in experiment progression. In agreement with the actual experiment, we observe that for certain parameter combinations the experiment path can be trapped in the local minima. We demonstrate the approaches for monitoring the automated experiment in the real and feature space of the system and knowledge acquisition of the DKL model. Based on these, we construct intervention strategies defining the human-in-the-loop automated experiment (hAE). This approach can be further extended to other techniques including 4D STEM and other forms of spectroscopic imaging. The hAE library is available on Github at https://github.com/utkarshp1161/hAE/tree/main/hAE.

Pratiush, Utkarsh [Univ. of Tennessee, Knoxville, ↗

Heavy ion irradiation effects on CrFeMnNi and AlCrFeMnNi high entropy alloys

Co-free but Al-included medium/high entropy alloys (M/HEAs) have gained increasing interests due to their lower cost and the potential to tune the multi-phase microstructure. The irradiation response of two Co-free HEAs, face-centered cubic (FCC) CrFeMnNi with limited Cr enriched α' phase and body-centered cubic (BCC) AlCrFeMnNi with B2s phase and nanoprecipitates were explored. Ion irradiations using 5 MeV Fe 2+ ions were performed at 500°C to a peak fluence of 50 and/or 100 displacements per atom (dpa). In dual-phase AlCrFeMnNi, there was no significant radiation induced segregation or chemical intermixing at the coherent matrix (FeCrMn-rich)/second phase (AlNi-rich) boundaries. In CrFeMnNi, limited voids were only detected at the peak damage location of ~ 50 dpa. On the other hand, voids were widely distributed in AlCrFeMnNi: under 50 and 100 dpa irradiation conditions, voids were found with larger dimension and denser distribution in the FeCrMn-rich matrix, smaller and slightly lower density in an AlNi-rich second phase. In addition, the diameter of the FeCMn-rich nanoprecipitates didn't reveal any tendency of dissolution or growth. This is correlated with their superior structural stability against irradiation. Significant radiation-induced hardening (increases from 3.8 ± 0.2 GPa to 4.7 ± 0.6 GPa) was measured in CrFeMnNi, but only ~ 4% hardness increase (from 7.4 ± 0.8 GPa to 7.7 ± 0.4 GPa) was noted in AlCrFeMnNi. Finally, in addition to the radiation-induced defects, such as voids, dislocation loops and point defects, other factors, such as chemical short-range ordering may play an important role.

36 MATERIALS SCIENCE↗

Closed-loop Habitation Air Revitalization Model for Regenerative Life Support Systems

The primary function of any life support system is to keep the crew alive by providing breathable air, potable water, edible food, and for disposal of waste. In a well-balanced or regenerative life support system, the various components are each using what is available and producing what is needed by other components so that there will always be enough chemicals in the form in which they are needed. Humans are not just users, but also one of the participating parts of the system. If a system could continuously recycle the original chemicals, this would make it virtually a Closed-loop Habitation (CH). Some difficulties in trying to create a miniature version of a CH are briefly discussed. In a miniature CH, a minimal structure must be provided and the difference must be made up by artificial parts such as physicochemical systems that perform the conversions that the Earth can achieve naturally. To study the interactions of these parts, a computer model was designed that simulates a miniature CH with emphasis on the air revitalization part. It is called the Closed-loop Habitation Air Revitalization Model (CHARM).

Hart, Maxwell M.↗

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↗

Thermophysical Property Measurements on Salt Mixture

Thermal conductivity, specific heat, viscosity, and density are critical properties for understanding thermal hydraulics of heat transfer fluids (HTFs) like molten salts. These properties are important for design and safe operation of any HTF loop. These characterizations are required to benchmark computational chemical models that are used to predict properties, but existent data are limited. These measurements are extremely difficult to make due to the operating temperature range and corrosive properties of the salt.Density measurements are needed to predict volumetric behavior. Thermal expansion mismatches can cause mechanical failure of structural materials and important components that are in contact with the molten salt. All of these properties are related to heat transfer in HTFs. The heat generated in a reactor must be high enough to derive power; however it should not be so hot that it cannot be safely removed via the HTF at an appropriate rate. It is important to understand the thermal hydraulics required to operate at the desired power generation level and to avoid situations in which thermal shifts can damage components,cause failure of structural materials, and/or lead to accidents. Understanding these thermal properties can aid in component and process design and can contribute to optimized operational and safety parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Combined Thermochemical and Microbial Process for Recycling Polylactic Acid Polymer to Optically Pure L-Lactic Acid for Reuse

Polylactic acid polymer (PLA) produced from renewable resources can be recycled at the end of life to constituent monomer, optically pure lactic acid (LA), by a combination of chemical and biological processes. Efficient application of this closed loop of LA-PLA plastics-LA can minimize accumulation of plastics waste that pollute land and oceans. Temperature-dependent hydrolysis of PLA in water to LA follows apparent first order decay kinetics after a short lag. A modified Gompertz equation can explain the overall hydrolysis process. Alkali increased the rate of hydrolysis of PLA and reduced the length of lag period compared to water alone. The stoichiometry of base added to LA released was 1.0. The highest lactic acid yield was 0.95 g g -1 of PLA. D-LA in the syrup obtained after hydrolysis of PLA-plastics was removed using an engineered Escherichia coli to produce a L-LA syrup with an optical purity ≥ 99%. Here, these results show that thermochemical hydrolysis of PLA-based plastics to LA with optimum amount of base followed by bio-based purification to L-LA is an effective method of recycling PLA-plastics for reuse.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Source of Processable Vitrimer Viscosities: Swap Frequencies and Steric Factors

Vitrimers exhibit high, processable viscosities, where other polymers do not, and are among the most promising polymers for closed-loop material circularity. We sought to investigate the underlying chemical kinetic factors that result in high viscosities for vitrimers, which are crucial to designing vitrimers with tunable viscosity. To interrogate these factors, we achieved the first simulated predictions of real vitrimer viscosities, using a novel kinetic Monte Carlo molecular dynamics method, overcoming the time and length scale gaps to predict experimental bulk viscosities. The vitrimer architecture investigated is based on poly(dimethylsiloxane) chains and vinylogous urethane bond swaps. We probed the effects of the extent of free swapping groups, %F, the activation energy, E A , and the steric factor, ρ. The steric factor is related to the intrinsic reaction probability for molecules with sufficient energy. All three factors were found to be significant, but the role of ρ was found to be the biggest and also the most underappreciated. The results show that the inclusion of accurate ρ is of critical importance for viscosity predictions, with the evidence suggesting that the typical assumption of ρ = 1 is not valid for vitrimers and that, indeed, very low steric factors are present in bond-swap vitrimers such that values of ρ < 10 –10 may be typical. This greatly influences the bond exchange rates and, ultimately, the viscosities. Recognition of this result is necessary for the prediction of vitrimer viscosities from molecular simulations and to make vitrimers by design from molecular dynamics. We also investigated the effects that E A , ρ, and the number of free swapping groups have upon vitreous range temperatures, TV, with respect to achieving a specific viscosity (η V = 1 × 10 8 Pa·s), as well as for a commonly reported higher viscosity extrapolation (η V = 1 × 10 12 Pa·s). The evidence suggests that vitrimers may follow universal curves for E A vs T V , as a function of ρ. Finally, this study achieves the first of these comparisons of molecular simulations to experiments and reveals critical insights toward creating vitrimers by design, while providing a route for the prediction of T V from kinetic Monte Carlo molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Closed-ecology life support systems /CELSS/ for long-duration, manned missions

Studies were conducted to scope the principal areas of technology that can contribute to the development of closed-ecology life support systems (CELSS). Such systems may be required for future space activities, such as space stations, manufacturing facilities, or colonies. A major feature of CELSS is the regeneration of food from carbon in waste materials. Several processes, using biological and/or physico-chemical components, have been postulated for closing the recycle loop. At the present time, limits of available technical information preclude the specification of an optimum scheme. Nevertheless, the most significant technical requirements can be determined by way of an iterative procedure of formulating, evaluating and comparing various closed-system scenario. The functions features and applications of this systems engineering procedure are discussed.

Modell, M.↗

Strategies for Stabilizing Nitrogenous Compounds in ECLSS Wastewater: Top-Down System Design and Unit Operation Selection with Focus on Bio-Regenerative Processes for Short and Long Term Scenarios

Water recycling and eventual nutrient recovery is crucial for surviving in or past low earth orbit. New approaches and syste.m architecture considerations need to be addressed to meet current and future system requirements. This paper proposes a flexible system architecture that breaks down pretreatment , steps into discrete areas where multiple unit operations can be considered. An overview focusing on the urea and ammonia conversion steps allows an analysis on each process's strengths and weaknesses and synergy with upstream and downstream processing. Process technologies to be covered include chemical pretreatment, biological urea hydrolysis, chemical urea hydrolysis, combined nitrification-denitrification, nitrate nitrification, anammox denitrification, and regenerative ammonia absorption through struvite formation. Biological processes are considered mainly for their ability to both maximize water recovery and to produce nutrients for future plant systems. Unit operations can be considered for traditional equivalent system mass requirements in the near term or what they can provide downstream in the form of usable chemicals or nutrients for the long term closed-loop ecological control and life support system. Optimally this would allow a system to meet the former but to support the latter without major modification.

Lunn, Griffin M.↗

Spacecraft Water Exposure Guidelines For Selected Contaminants

Construction of the International Space Station (ISS)a multinational effort began in 1999. In its present configuration, the ISS is expected to carry a crew of three to six astronauts for up to 180 days (d). Because the space station is a closed and complex environment, some contamination of its internal atmosphere and water system is unavoidable. Several hundred chemical contaminants are likely to be found in the closed-loop atmosphere and recycled water of the ISS. To protect space crews from contaminants in potable and hygiene water, the National Aeronautics and Space Administration (NASA) requested that the National Research Council (NRC) provide guidance on how to develop water exposure guidelines and subsequently review NASA's development of the exposure guidelines for specific chemicals.

Water↗