Results for “Computational Physics and Simulations” — Page 62

NASA NTRS2026

Recirculating and Sub-Atmospheric Rapid Cycle Amine Swing Bed Testing at Various Metabolic Profiles, Temperatures, and Half-Cycle Times

Sixty years since the first spacewalk, NASA’s Extravehicular Mobility Unit (xEMU) exploration space suit has undergone numerous design improvements and iterations. As commercial manufacturers develop next-generation systems to support increasingly complex missions, including Moon-to-Mars architecture prototyping and the design of the Martian Portable Life Support System (PLSS), material selection and individual subunit testing under realistic metabolic and pressure conditions are paramount. To determine whether a reusable carbon dioxide (CO 2 ) scrubber design and adsorbent can be utilized in new suit configurations, an all-encompassing test rig is required to compare existing and newly developed technologies. The test rig must be capable of sub-atmospheric testing, calibrated humid CO 2 dosing, and facilitation of the evaluation of sorbents across a wide range of operational requirements. Recently, XploSafe has developed an Extravehicular Mobility Unit (xEMU) testing rig specifically designed to explore CO 2 and humidity control materials for spacesuits. This closed-loop recirculating swing bed (Rapid Cycle Amine Test Rig) was utilized to compare adsorbent utility across a wide range of xEMU operating conditions. Following successful testing with Xplo-SA9T over multiple simulated eight-hour Extravehicular Activity (EVA) tests, improvements to the test stand were considered. Regeneration vacuum supply within the test rig was updated to more closely resemble space vacuum, theoretically increasing half-cycle timing. An improved water vapor delivery system was incorporated to dose a wider calibrated range of humidity over both short and long-duration EVAs. A range of metabolic profiles between 800 and 3000 BTU/h were tested, and the corresponding average CO 2 steady-states were compared. The effect of dosing temperature at the adsorbent bed inlet between 10 and 40 ̊C and the corresponding CO 2 removal efficiency was also evaluated.

John R Tidwell↗

DOE OSTI2026

Interaction of Soil pH and Mineralogy Controls Soil Organic Matter Persistence through Changes in the Composition and Amount of Microbial Necromass

Microbial necromass–mineral associations are key to long-term soil organic matter (SOM) persistence. However, how soil pH and mineralogy interact to regulate SOM stability remains poorly understood. Here, we used artificial soils to test how three clay minerals (bentonite, kaolinite, and goethite), adjusted to four pH levels (5–8), affect microbial activity (respiration), microbial physiology (carbon use efficiency, CUE), microbial-derived residue material (necromass), and the formation and stability of mineral-associated organic matter (MAOM). Artificial soils were inoculated with a rhizosphere-derived microbial community cultured under the same pH conditions and on two representative simulated exudate types (organic acids and carbohydrates) and incubated for 6 weeks. In two complementary experiments, we added necromass from known microbial taxa to the same minerals across pH levels to isolate the role of necromass chemistry and loading. We found that soil pH shaped MAOM chemistry by altering microbial activity and necromass composition. In interaction with mineral type, pH also controlled MAOM thermal stability. Higher necromass loading weakened mineral-organic bonding, reducing MAOM stability, consistent with zonal mineral–organic interaction models. Our results demonstrate that microbial activity, rather than carbon use efficiency, better predicts MAOM formation and that pH-dependent necromass composition and loading govern MAOM persistence. These findings advance mechanistic understanding of SOM stabilization and have implications for predicting soil carbon dynamics under shifting environmental conditions.

carbon use efficiency↗

DOE OSTI2025

Preliminary Evaluation of Joint Electricity-Hydrogen Concept of Operations

An initial thermal power dispatch (TPD) concept of operations was evaluated that couples a nuclear power plant to a nearby hydrogen production plant. GSE Systems’ generic pressurized water reactor full-scope simulator was modified with a TPD model comprised of a thermal power extraction and delivery system. A prototype human-system interface (HSI) was developed to interact with the TPD model and allow participants to execute the basic operating scenarios for normal operations. Four retired operators performed the evaluation, and due to COVID-19 travel restrictions, the original in-person experimental design was restructured to support a remote participator evaluation using a web meeting platform. Data from operator feedback, observations from the research team, and quantitative survey responses revealed that the initial TPD concept of operations is feasible. The operators were comfortable with the engineered system and HSI and could manage it without adverse impacts to reactor power, plant safety, or equipment. Findings are discussed in terms of both the TPD system design and HSI performance.

human factors↗

DOE OSTI2022

Renewable Energy and Efficiency Technologies in Scenarios of U.S. Decarbonization in Two Types of Models: Comparison of GCAM Modeling and Sector-Specific Modeling

Energy system projections from analytic models inform actions ranging from short-term and local decisions, such as technology and infrastructure deployment, to global and long-term negotiations and targets. Computational limits require the designers of these models to trade off between coverage and resolution. Some models, such as the Global Change Analysis Model (GCAM), represent all energy sources and uses but at a relatively coarse level of resolution. GCAM balances global supply and demand of all energy carriers by endogenously projecting prices for energy sources and costs of greenhouse gas mitigation while capturing interlinkages between the energy system, water, agriculture and land use, the economy, and the climate. This global model was used to frame the Long-Term Strategy released by the White House in 2021 and has been used to inform national and global economy-wide decarbonization discussions and strategy development for decades. Other models instead focus on a portion of the energy sector with greater detail and resolution. The Regional Energy Deployment System (ReEDS) electricity-sector model, for example, projects capacity expansion with an emphasis on integration of variable renewable energy into the grid of the future. The Transportation Energy and Mobility Pathway Options (TEMPO) transportation-sector model enables analysis of household choices in adoption, charging, and use of electric vehicles. The Scout buildings-sector model supports detailed consideration of the policies and markets that can accelerate the adoption of energy conservation measures in buildings. Such sector-specific models are instrumental in informing technology research, sectoral planning strategies, and sector-specific aspects of greenhouse gas (GHG) mitigation strategies in the United States. These global and sector-specific modeling approaches can complement each other. The global approach ensures consistent, endogenous energy pricing and resource allocation, which can substantially diverge from current conditions in transformative scenarios, while the sector-specific approach facilitates representation of granular details across spatial, temporal, technological, and market dimensions that enable exploration of particular interactions and trade-offs. This report presents the results of recent work to explore the differences and tradeoffs between these approaches by comparing GCAM with the sector-specific ReEDS, TEMPO, and Scout models. The report compares both model structures and results, and discusses their potential relevance and applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene

Electrochemistry can provide an efficient and sustainable way to treat environmental waters polluted by chlorinated organic compounds. However, the electrochemical valorization of 1,2-dichloroethane (DCA) is currently challenged by the lack of a catalyst that can selectively convert DCA in aqueous solutions into ethylene. Here, in this work, we report a catalyst comprising cobalt phthalocyanine molecules assembled on multiwalled carbon nanotubes that can electrochemically decompose aqueous DCA with high current and energy efficiencies. Ethylene is produced at high rates with unprecedented ~100% Faradaic efficiency across wide electrode potential and reactant concentration ranges. Kinetic studies and density functional theory calculations reveal that the rate-determining step is the first C–Cl bond breaking, which does not involve protons—a key mechanistic feature that enables cobalt phthalocyanine/carbon nanotube to efficiently catalyse DCA dechlorination and suppress the hydrogen evolution reaction. The nanotubular structure of the catalyst enables us to shape it into a flow-through electrified membrane, which we have used to demonstrate >95% DCA removal from simulated water samples with environmentally relevant DCA and electrolyte concentrations.

Choi, Chungseok [Yale Univ., New Haven, CT (United↗

DOE OSTI2025

Semiconducting Electrides Derived from Sodalite: A First-Principles Study

Electrides are ionic crystals, with electrons acting as anions occupying well-defined lattice sites. These exotic materials have attracted considerable attention in recent years for potential applications in catalysis, rechargeable batteries, and display technology. Among this class of materials, electride semiconductors can further expand the horizon of potential applications due to the presence of a band gap. However, there are only limited reports on semiconducting electrides, hindering the understanding of their physical and chemical properties. In recent work, we initiated an approach to derive potential electrides via selective removal of symmetric Wyckoff sites of anions from existing complex minerals. Herein, we present a follow-up effort to design semiconducting electrides from parental complex sodalites. Among four candidate compounds, we found that a cubic Ca 4 Al 6 O 12 structure with the I-43m space group symmetry exhibits perfect electron localization at the sodalite cages, with a narrow electronic band gap of 1.8 eV, making it suitable for use in photocatalysis. Analysis of the electronic structures reveals that a lower electronegativity of the surrounding cations drives greater electron localization and promotes the formation of an electride band near the Fermi level. Our work proposes an alternative approach for designing new semiconducting electrides under ambient conditions and offers guidelines for further experimental exploration.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Photosynthetic capacity is reduced by warming but unaffected by elevated CO2 in seedlings of five boreal tree species

Abstract Increasing atmospheric CO2 concentrations fuel global warming, with boreal regions warming at a faster rate than many other areas. Boreal forests are an important component of the global carbon cycle, yet we have little data on photosynthetic responses of boreal trees to elevated CO2 (EC) and warming. We grew seedlings of 5 widespread North American boreal tree species (from Betula, Larix, Picea, and Pinus) under current (410 ppm) or elevated (750 ppm) CO2 and either ambient (+0 °C) or increased (+4 °C or +8 °C) temperature, then measured photosynthetic traits over a range of leaf temperatures. Our results were generally consistent across species: photosynthetic capacity (maximum rates of Rubisco carboxylation, Vcmax, and electron transport, Jmax) was unaffected by EC but decreased under +8 °C warming. Accordingly, net photosynthesis measured at the growth CO2 concentration (Agrowth) was reduced under warming and increased under EC. The thermal optimum for Agrowth (ToptA) increased by ∼1.8 °C with EC but increased with warming in only two species. In contrast, the activation energies and thermal optima for Vcmax and Jmax, which are used to estimate photosynthesis in Earth System Models, were unaffected by growth environment. There were a few interactions between growth, CO2, and warming. These results suggest increased photosynthesis of widespread boreal tree species under EC may be offset by future reductions in photosynthetic capacity related to warming. We also show that the temperature sensitivities of parameters used to estimate global photosynthesis in large-scale models are generally unaffected by simulated climate change in these species.

Plant Sciences↗

NASA NTRS2026

Dynamic Regulation of Sub-Atmospheric Pressure for Constant and Cyclic Gas Loads During Testing of Spacesuit Components

New iterations of the various subsystems within the spacesuit will benefit from a new sorbent technology. For example, sorbents used in the Trace Contaminant Control (TCC) and the Rapid Cycle Amine (RCA) systems within the Exploration Portable Life Support System (xPLSS), part of the Extra-Vehicular Mobility Unit (xEMU). For proper validation, the sub-atmospheric pressure needs to be maintained within a simulated 2 ft 3 spacesuit volume. The traditional approach, which involves placing the entire vent loop within a hypobaric chamber, is not practical for the widespread testing of components and prototypes, as these specialized chambers are costly and not widely available. A two-stage regulator based sub-atmospheric pressure system is presented in this work. The method regulates the pressure based on pressure differentials between the pressure regulation pump, the test system, and the ambient environment. The performance of this system is demonstrated using data collected during a 150+ hour non-regenerative TCC sorbent evaluation, several 24-hour regenerative TCC sorbent evaluations with different regeneration cycles, and an 8-hour RCA sorbent evaluation, all under xEMU operating conditions. For regulation, the inlet regulator was set to propagate a small leak to increase the stability of the system as the gas load from the testing system changes. It was also found that controlling the input flow rate that replaces the material lost during regeneration is critical for ensuring the stability of the system. This system provided excellent pressure regulation, without adjustments, for constant loads during shorter time evaluations (hours), while longer time evaluations (days) are easily obtainable with periodic regulator adjustments. A second method is under development to address longer-term stability and to automate pressure regulation. It will incorporate flow and pressure measurements to dynamically control a set of electronically controlled proportional valves for adjusting the pumping speed and air bleed supply.

Nicholas F Materer↗

DOE OSTI2025

AUTOIGNITION DELAY TIMES FOR REFORMATE GAS MIXTURES FROM METHANE GAS ENGINES

Methane slip is a prominent issue in natural gas reciprocating engines that are used in transportation and marine applications. The incomplete combustion that results in methane slip can be resolved with the introduction of hydrogen within the combustion mixture to improve methane oxidation and further enable combustion within the engine crevices where methane has previously remained unreacted. Steam methane reforming (SMR) is a common method used to produce hydrogen and can be used to design an onboard device to reduce methane slip from reciprocating engines. The development of this reformer device requires the validation of high-fidelity chemical kinetic models at the low temperatures of the crevice volumes of these engines. In this work, auto-ignition data is obtained using a shock tube at lean (φ—0.714 or λ—1.4) and stoichiometric (φ, λ = 1) equivalence ratios spanning a temperature range of 1042–1234 K at the 80-bar operating pressure of the test engine. Blends of methane, hydrogen, and reformate products from the SMR reaction are shock-heated in synthetic air, with the ignition delay time measured using an OH* chemiluminescence detector at 310 nm and a CH* detector at 430 nm. The experimental results are compared to several state-of-the-art chemical kinetic mechanisms from the literature. In general, most of the mechanisms show very good agreement with experiments at higher temperatures, with simulation results showing little deviation from experiments at lower temperatures. A sensitivity analysis was conducted, and the results reveal that the reaction H2 + CH3O2 = H + CH3O2H has a very significant role in determining low-temperature ignition delay times (IDTs) of SMR mixtures. These findings provide valuable insights into the chemical kinetics governing methane reformate combustion and contribute to the optimization of onboard reformer designs aimed at mitigating methane slip in natural gas-fueled engines.

Fraze, Matthew↗

DOE OSTI2026

Monolayer Films of Binary Metal Oxide Nanoparticles for Carbon Nanotube Synthesis

Binary metal oxide nanoparticles (biMO-NPs) combining transition and main-group metals with well-organized atomic architectures have unique potential as robust and economical heterogeneous catalysts. Herein, metal oxide nanoparticles (CoAlxOy) using cobalt and aluminum were synthesized, and their structure, morphology, and chemical composition were investigated using various characterization techniques. The biMO-NPs, which had a Gaussian-type size distribution (∼6 nm), were assembled on plain silicon substrates modified chemically with linker molecules bearing suitable end groups. Surface analysis revealed an ordered, uniform, close-packed arrangement of biMO-NPs forming a monolayer architecture with nanoscale thickness (∼12 nm), high surface uniformity, and negligible defects. The nanoparticle monolayer film (NP-MF) was employed as a catalyst to grow carbon nanotube (CNT) forests via the thermal chemical vapor deposition (CVD) method, similar to those grown from catalyst thin films deposited by physical vapor deposition. Structural characterization confirmed the growth of a dense, uniform, high-quality vertically aligned carbon nanotube (VA-CNT) forest with a length of ∼125 µm, which is comparable to the VA-CNTs grown from expensive thin films. Thus, CNT growth was successfully catalyzed by the biMO-NPs, highlighting a simple and inexpensive alternative for catalyst deposition. In this innovative wet-chemistry approach, the catalyst and catalyst support are combined within a single nanoparticle before NP-MF assembly. Interestingly, this approach provides a scalable and cost-effective pathway for CNT growth, eliminating the need for expensive thin deposition techniques.

Regmi, Bishow [University of Cincinnati]↗

DOE OSTI2026

Maximizing dynamic range and performance of anatase TiO 2 ECRAM through structure and programming

Here, in this study, we investigate the structure-dependent modulation characteristics of all-solid-state three-terminal electrochemical random-access memory (ECRAM) based on an anatase Li x TiO 2 channel. By directly comparing “asymmetric” and “symmetric” ECRAM device architectures, we reveal significant insight into the impact of a non-zero gate-drain open-circuit voltage and its influence on voltage vs. current-controlled gating. We also explore the impact of potentiation/depression write parameters on the symmetry, linearity, and dynamic range of the device response. Together, initial results from optimizing structure and programming approaches yielded unprecedented G max /G min ratios of >1,000 for ECRAM and hundreds of tunable memory states with excellent linearity and symmetry. Simulations based on these ECRAM devices further illustrate the promise of this analog memory technology, achieving near 2% classification error in the MNIST digit recognition benchmark for a range of training parameters compared to a theoretical best of 1.66% and outperforming other device models extracted from the literature.

AIHWKit↗

NASA NTRSDate not supplied

Numerical Investigation of Heat Transfer and Fluid Flow within Electrochemical Hydrogen Peroxide Generation Unit

Long-term manned space missions require the onboard production of disinfectants essential for maintaining crew health and supporting life systems. Currently, disinfection aboard the International Space Station (ISS) relies on disposable wetted wipes, which are regularly resupplied from Earth. This approach imposes a significant burden on resupply logistics, storage, and waste management. To address these challenges and support future missions, efforts are underway to develop an in-situ solution that electrochemically generates hydrogen peroxide disinfectant using onboard resources. In collaboration with NASA, Faraday Technology, Inc. has advanced this concept through a series of Small Business Innovation Research (SBIR) projects, resulting in the development of a Peroxide Generation Unit (PGU). The PGU can produce up to 3 wt.% hydrogen peroxide on-demand at a rate of 1 liter per day, providing a sustainable alternative to Earth-dependent supplies. The resulting aqueous hydrogen peroxide (H₂O₂) is an effective disinfectant, safe for crew use, compatible with spacecraft systems, and free from volatiles, off-gassing, or residues. This innovation offers a reliable, efficient solution for onboard disinfection, reducing dependence on Earth-based resupply while ensuring the health and safety of space crews. Generating hydrogen peroxide at the required rate needs high voltages and currents, exceeding 20V and 2A respectively, which leads to significant heat generation from Joule heating. This temperature rise poses a risk to sensitive system components, especially critical and expensive membranes that can degrade under thermal stress. To mitigate this risk, the thermal, fluid, and electrical flows within the system are modeled computationally using the commercial software COMSOL. The numerical simulations are validated against experimental data from both sub-scale and alpha-scale systems. Once verified, the model is employed to identify thermal hotspots, investigate their underlying causes, and explore solutions to prevent them.

Life Support Systems (LSS)↗

NASA NTRS2026

Performance Evaluation of Intravehicular Activity Spacesuit Without the Use of a Liquid Cooling Garment

The Orion Crew Survival Systems (OCSS) suit is equipped with safety technology that protects the crew during launch and re-entry and Intravehicular Activities (IVA). It was designed to be used with a Liquid Cooling Garment (LCG), an undergarment with tubes that circulate water to remove excess heat from a crew member. The objective of this study is to determine if the Modified Advanced Crew Escape Suit (MACES), which has very similar material, assembly, and pressure characteristics as the OCSS suit, can be used without the LCG to maintain the crew within their heat storage requirements where exceedances can lead to cognitive and physiological impairment. Testing was completed for both hot and cold environments where test subjects wore varying configurations of the MACES suit ensemble without the LCG. The tests were conducted in a temperature and humidity-controlled chamber with four test subjects ranging from extra small to large. Target metabolic rates were reached using an arm ergometer. To represent the different suit configurations seen in the concept of operations, the suit was tested with visor-down, visor-up, and without helmet and gloves. The test data was analyzed to determine how the environment, test subject size, metabolic rate, and suit configuration affected heat storage. Furthermore, the test data was used to correlate the METMAN model, a transient metabolic man program that simulates the heat transfer within a crew member’s body and from a crew member to the surrounding environment. The METMAN correlation showed good agreement between predicted heat storage and test data at the end of the test duration, with a coefficient of determination (R 2 ) value of 0.8999 for visor-down cases and R 2 of 0.8902 for visor-up and helmet off cases. A correlated METMAN model allows for the analysis and prediction of IVA suit performance without an LCG in additional scenarios.

Spacesuit↗

DOE OSTI2026

Co-Location of Cellulosic Bioethanol and Alcohol-to-Jet (ATJ) Production Facilities for Targeted Scale-Up of Sustainable Aviation Fuel (SAF) Production

Achieving aerospace industry net-zero emissions by 2050 requires rapid scaling of sustainable aviation fuel (SAF) production. Leveraging existing infrastructure, proven technologies like Alcohol-to-Jet (ATJ), and low carbon intensity (CI) feedstocks (e.g., switchgrass and miscanthus) can support this transition and help achieve near-term emissions reduction targets. This study evaluates the implications of lignocellulosic ethanol biorefinery siting and integration with petroleum refineries to produce SAF across 1000 sites randomly sampled from areas suitable for perennial grasses in the U.S. rainfed region. To better understand the logistics of material transport and handoffs, we integrated models of biomass harvest, transport, ethanol, and ATJ production in a stochastic framework based on Monte Carlo simulations to characterize SAF minimum selling price (MSP) and carbon intensity (CI), considering site-specific parameters (e.g., feedstock production, transportation, taxes, incentives). The results indicate trade-offs between MSP and CI across locations, with median MSP ranging from 7.9 to 12.8 USD·gal −1 and CI from −9.7 to 39.4 gCO 2 e·MJ −1 . Despite high estimated decarbonization costs (580 USD·tonCO 2 e −1 ), our results indicate that site-specific deployment of ATJ with low-CI feedstocks can improve sustainability outcomes. The framework provides a systematic approach to assess cost and sustainability trade-offs across locations, considering the end-to-end supply chain and supporting an informed investment in SAF production.

09 BIOMASS FUELS↗

NASA NTRS2026

Performance Evaluation of Intravehicular Activity Spacesuit Without the Use of a Liquid Cooling Garment

The Orion Crew Survival Systems (OCSS) suit is equipped with safety technology that protects the crew during launch and re-entry and Intravehicular Activities (IVA). It was designed to be used with a Liquid Cooling Garment (LCG), an undergarment with tubes that circulate water to remove excess heat from a crew member. The objective of this study is to determine if the Modified Advanced Crew Escape Suit (MACES), which has very similar material, assembly, and pressure characteristics as the OCSS suit, can be used without the LCG to maintain the crew within their heat storage requirements where exceedances can lead to cognitive and physiological impairment. Testing was completed for both hot and cold environments where test subjects wore varying configurations of the MACES suit ensemble without the LCG. The tests were conducted in a temperature and humidity-controlled chamber with four test subjects ranging from extra small to large. Target metabolic rates were reached using an arm ergometer. To represent the different suit configurations seen in the concept of operations, the suit was tested with visor-down, visor-up, and without helmet and gloves. The test data was analyzed to determine how the environment, test subject size, metabolic rate, and suit configuration affected heat storage. Furthermore, the test data was used to correlate the METMAN model, a transient metabolic man program that simulates the heat transfer within a crew member’s body and from a crew member to the surrounding environment. The METMAN correlation showed good agreement between predicted heat storage and test data at the end of the test duration, with a coefficient of determination (R 2 ) value of 0.8999 for visor-down cases and R 2 of 0.8902 for visor-up and helmet off cases. A correlated METMAN model allows for the analysis and prediction of IVA suit performance without an LCG in additional scenarios.

Human Thermal Modeling↗

NASA NTRS2026

Hot Water, Cold Reality: Feasibility Assessment of Iodine Removal in Heated Spacecraft Potable Water Systems

The current eXploration Potable Water Dispenser (xPWD) design removes iodine upstream of the heated leg due to concerns with the Activated Carbon and Ion Exchange (ACTEX) functionality in hot water, leaving the downstream volume without residual biocide. The NESC determined that this non-iodinated volume is a concern for microbial growth during exploration missions and proposed 33 biocide architecture options for future missions that could address this concern. The top-ranked architecture out of the report was Option 1: moving the iodine removal media as close to the dispensing needle as possible to minimize the wetted components without biocide in the xPWD. Three main challenges were identified with this proposed configuration. First, the hot water at 175 ± 25 °F is a concern for the potential physical degradation of the ion exchange resin and lowered adsorption capacity in activated carbon. Second, moving the ACTEX or alternative sorption media closer to the dispense needle increases the unheated volume downstream of the heater, challenging the ability for dispensed water to meet temperature requirements. Finally, bubbles evolved from dissolved gas coming out of solution in the heater could clog or reduce the efficiency of the sorption media. To address the first challenge, more thermally robust ion exchange resins were identified and adsorption capacity tests were planned and will be discussed in a companion ICES paper (ICES-2026-5). To address the dispense temperature concerns, allowable bed size and architectural configuration changes are proposed. The value of adding phase separators to remove bubbles and potential implementation schemes are discussed. These findings support the development of potable water systems resilient to microbial risks during long-duration space missions.

Biocide↗

NASA NTRS2026

Hot Water, Cold Reality: Feasibility Assessment of Iodine Removal in Heated Spacecraft Potable Water Systems

The current eXploration Potable Water Dispenser (xPWD) design removes iodine upstream of the heated leg due to concerns with the Activated Carbon and Ion Exchange (ACTEX) functionality in hot water, leaving the downstream volume without residual biocide. The NESC determined that this non-iodinated volume is a concern for microbial growth during exploration missions and proposed 33 biocide architecture options for future missions that could address this concern. The top-ranked architecture out of the report was Option 1: moving the iodine removal media as close to the dispensing needle as possible to minimize the wetted components without biocide in the xPWD. Three main challenges were identified with this proposed configuration. First, the hot water at 175 ± 25 °F is a concern for the potential physical degradation of the ion exchange resin and lowered adsorption capacity in activated carbon. Second, moving the ACTEX or alternative sorption media closer to the dispense needle increases the unheated volume downstream of the heater, challenging the ability for dispensed water to meet temperature requirements. Finally, bubbles evolved from dissolved gas coming out of solution in the heater could clog or reduce the efficiency of the sorption media. To address the first challenge, more thermally robust ion exchange resins were identified and adsorption capacity tests were planned and will be discussed in a companion ICES paper (ICES-2026-5). To address the dispense temperature concerns, allowable bed size and architectural configuration changes are proposed. The value of adding phase separators to remove bubbles and potential implementation schemes are discussed. These findings support the development of potable water systems resilient to microbial risks during long-duration space missions.

PWD↗

DOE OSTI2026

Optimal binning of correlated measurements

Experimental measurements are commonly represented on a discrete grid, requiring a balance between granularity and statistical noise. Two strategies have traditionally been used to improve such representations: selecting an appropriate bin width to control discretization error and applying kernel-based smoothing to suppress fluctuations. Despite their shared goal, these approaches have largely developed independently, without a unified statistical description of how discretization and correlation jointly determine measurement precision. Here, we extend the discussion of optimal interval averaging to a correlation-aware setting by Gaussian process regression, which explicitly accounts for correlations among neighboring bins. Starting from first principles, we derive the mean-squared error of discretized measurements and obtain closed-form asymptotic expressions for the optimal bin width and correlation length. When recast in reduced variables, the theory reveals distinct universal scaling laws governing the error in the correlation-free and correlation-controlled regimes. Characterized by intrinsically smooth intensity profiles and counting-based statistics, neutron scattering measurements are well suited for demonstrating the enhanced error contraction enabled by inter-bin correlations. We show that such improvement is achievable over the experimentally accessible Q-range and across multiple instruments and material systems. These results show that explicitly accounting for correlations systematically reshapes the limits of precision in discretized, noise-limited measurements. More broadly, the framework provides a transferable statistical foundation for optimizing data representation, inference, and experimental design across the physical and data sciences.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗