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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2020

Editorial: Achieving Water-Energy-Food Nexus Sustainability: A Science and Data Need or a Need for Integrated Public Policy?

The benefits of addressing the water, energy, and food sectors in an integrated manner is gaining significant recognition. An integrated approach can provide improved resource use efficiencies, more coherent environmental policies, and an overall strategy for achieving sustainability in the three sectors, as outlined in the United Nations Sustainable Development Goals (SDG) 2 (Food), 6 (Water), and 7 (Energy). Societies are concerned with ensuring food security, avoiding wars over water, and creating opportunity by ensuring access to energy. To be effective, however, this approach needs to be adopted at all levels of societies including government, private and civil society and reinforced by management and planning methods. This special issue identifies different approaches that are either being conceptualized or tested to support the Water-Energy-Food (WEF) Nexus approach. The articles contribute to answering the question, “Is achieving Water-Energy-Food (WEF) Nexus Sustainability a science and data need or an integrated public policy need?” In either case, both natural and social sciences will need to combine to support science issues or integrated policy issues. The papers explore the ways in which science, data, and policy development could help to define integrative principles and policies for the three sectors. This approach could expand beyond the water, energy, and food sectors to include health, environment, trade, commerce, and international assistance thereby providing broad support to the SDGs. Moreover, this issue demonstrates that data combined with new technologies (tools and models) can support better decision-making when adopted by governments and the sectors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Diffusion and Solvation Dynamics of Ions in Water: Beyond the Brownian Approximation

The coupled dynamics of ions and water molecules in their first hydration shell impact a variety of processes including ion diffusion, selective ion transport in water-filled nanopores, and the kinetics of ion-pairing, ion adsorption, and metal-ligand binding reactions. In this work, we study these coupled dynamics for alkali metals (Li, Na, K, Rb, Cs), alkaline Earth metals (Mg, Ca, Sr, Ba), and chloride through the lens of their dependence on ion isotopic mass. Results are validated against previous measurements of the isotopic mass-dependence of ion diffusion coefficients in water and previous ab initio calculations of ion high-frequency dynamics in water. We find that the vibrational power spectra of ions in water consistently exhibit either two or three peaks, i.e., ions have several rattling frequencies within their solvations shells as previously reported for a subset of the species examined here. These frequencies have different sensititivies to isotopic mass that may serve as signatures of ion solvation processes (such as the tendency of ions to orient their first-shell water molecules) and that also may relate to Hofmeister-like effects including the relative affinity of different metals for ribonucleic acid (RNA).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Drought-induced changes in groundwater-surface water exchange at Lake Mead area

This study focuses on the Lake Mead region in the southwestern United States, a key water reservoir serving over 25 million people and agricultural lands across several states. The area has experienced recurring anthropogenic droughts since the early 2000s. We investigate the hydrological response of the coupled surface-groundwater system to the 2020–2022 drought, one of the most severe on record. To this end, we use Sentinel-1 Interferometric Synthetic Aperture Radar (InSAR) data to quantify vertical land motion caused by the elastic response of the crust to water-mass loss in the lake vicinity. Next, we apply an inverse elastic load modeling framework to quantify water loss. We further assess possible hydraulic connectivity between Lake Mead and adjacent groundwater reservoirs. We detect ground uplift of up to 8 mm/yr near the lake center, likely due to crustal rebound from reduced water-mass loading. We estimated the total water storage loss at 3.03 ± 0.25 km 3 /yr across a 3150 km 2 area surrounding Lake Mead. Groundwater accounts for approximately a third of that, being 0.94 ± 0.32 km 3 /yr. In addition, observed time lags of 6–98 days between lake and groundwater level responses, corresponding to a lateral diffusivity of 3.2–86 m 2 /s, suggest spatially variable connectivity between the lake and aquifers. These findings highlight that drought impacts propagate through the subsurface within interconnected systems, resulting in reduced buffering capacity of groundwater resources following droughts, and emphasizing the need for more integrated surface and groundwater management strategies to enhance resilience under climate and anthropogenic stressors.

58 GEOSCIENCES↗
DOE OSTI2021

Consumer Guide to Home Water Efficiency

Learn how a water-efficient home helps you minimize your water use, harness water for reuse, conserve energy, and save money. This fact sheet from Energy Saver includes information on ENERGY STAR-qualified appliances, why to improve water efficiency, and how to save water and energy.

water efficiency, water heating, saving water, wat↗
DOE OSTI2023

Radon Isotopes and Stable Water Isotopes from Coal Creek Watershed, Colorado (2021)

The radon isotope and stable water isotope data for Coal Creek Watershed, Colorado, consists of d2H, d18O, and 222Rn values from samples collected at 8 stream location along Coal Creek, samples from 7 groundwater springs within the watershed, and precipitation isotope samples collected by Next Generation Water Observing System (NGWOS) from a collector within the watershed. All stream and spring samples were collected between June and October, 2021, and precipitation isotope samples were collected between November 2020 and September 2021. These data were collected to evaluate how groundwater contributions to Coal Creek originating from a fractured hillslope and alluvial fan respond to summer monsoon rains and seasonal drying. Understanding of groundwater-surface water interactions in montane systems in critical for the future of water availability in the Western US as groundwater contributions are expected to become more important for sustaining summer stream flows. This data package contains: (1) a csv of all radon samples; (2) a csv of all stream and spring isotope samples; (3) a csv of precipitation isotope samples; and (4) a csv of locations for each sampling site. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Porous Materials for Water Purification

Water pollution is a growing threat to humanity due to the pervasiveness of contaminants in water bodies. Significant efforts have been made to separate these hazardous components to purify polluted water through various methods. However, conventional remediation methods suffer from limitations such as low uptake capacity or selectivity, and current water quality standards cannot be met. Recently, advanced porous materials (APMs) have shown promise in improved segregation of contaminants compared to traditional porous materials in uptake capacity and selectivity. These materials feature merits of high surface area and versatile functionality, rendering them ideal platforms for the design of novel adsorbents. Here, this Review summarizes the development and employment of APMs in a variety of water treatments accompanied by assessments of task-specific adsorption performance. Finally, we discuss our perspectives on future opportunities for APMs in water purification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Constructing Water‐Stable Porous Organic Salts via Suppressed Proton Integration Using Fluorinated Tetrazole Tectons

Porous organic salts (POSs) are an emerging class of materials with ordered ionic architectures, offering excellent proton transfer and water uptake properties. However, conventional POS synthesis via strong acid–base neutralization (e.g., ─SO₃H and ─NH₂) leads to extensive hydrogen bonding with water, compromising stability in aqueous and water-lean environments. Here, we address this challenge by designing POSs with hydrophobic porous channels and minimal hydrogen bonding formation. Our key innovation is the use of fluorinated tetrazole as a weak acid tecton and a tetra-substituted imidazole precursor devoid of active protons as the base. Single-crystal analysis and computational modeling reveal that the structural integrity of the synthesized POSs arises primarily from cation–anion interactions, with water confined as clusters in the pores, independent of hydrogen bonding with the scaffold. Robustness of the POS structure under aqueous and water-lean conditions is confirmed by X-ray and neutron scattering, as well as computational modeling, confirming preserved packing and crystal structures. The stability of POS is further demonstrated in aqueous iodine capture, with imidazolium cations and C–F functionalizations serving as strong adsorption sites. As a result, the approach developed herein further pushes the boundary of POS materials to withstand both aqueous and water-lean conditions.

Fluorinated tecton↗
DOE OSTI2025

Photocatalytic Overall Water Splitting at the Integrated Rh–MoRhO x Cluster Heterostructure on InGaN/GaN Nanowires

The quest for efficient solar-driven water splitting, a promising avenue for clean fuel production, faces challenges due to limited solar energy conversion efficiency. Traditional approaches study the overall water splitting as two spatially separate half reactions on two unrelated sites, hindering full utilization of photogenerated charge and water molecules. To overcome these limitations, an integrated cluster heterostructure catalyst on InGaN/GaN semiconductor nanowires is proposed for the effective utilization of photogenerated charge carriers and water molecules on the same redox localization. By establishing the fast charge extraction kinetics based on InGaN/GaN nanowires, the integration of Rh and MoRhOx clusters on the nanowire surface enables simultaneous and fast hydrogen/oxygen evolution reactions at the cluster heterostructure. Furthermore, the integrated strategy can enhance the charge redistribution across the heterostructure between the two clusters, further optimizing adsorption of reaction intermediates on each cluster for boosted photocatalytic water splitting activity. Consequently, the integrated heterostructure triggers a 40-fold increased hydrogen production efficiency in an artificial leaf system. This study provides valuable insights for the rational design of advanced heterostructured photocatalysts for water splitting and beyond.

GaN nanowire↗
DOE OSTI2022

Influence of the Anions on the Interaction Energy between Water and Ionic Liquids

It is essential to understand the interaction energy between water and ionic liquids (ILs) in search of ILs for dehumidification applications. In this paper, the intermolecular interaction energy between water and 1-ethyl-3-methylimidazolium ([EMIM])-based ILs was investigated. The vapor-liquid equilibrium data were first measured for solutions of [EMIM][BF 4 ], [EMIM][N(CN) 2 ], [EMIM][CF 3 SO 3 ], and [EMIM][CH 3 SO 3 ] with water molar fractions of 8–95 % at temperatures of 303–343 K. The IL-IL and water-IL intermolecular interaction energies were determined by using the correlated non-random two-liquid model. The results revealed that fluorine atoms in anions reduce the attraction energy between IL and water, and thus, decrease the water affinity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Relaxation dynamics of water in the vicinity of cellulose nanocrystals

Water molecules near cellulose nanocrystals (CNCs; produced via the sulfuric acid-catalyzed hydrolysis of wood pulp) are believed to relax slower than those in the bulk liquid, which may result in unique properties of CNC aqueous dispersions. Herein this study analyzed the polarization behavior of water molecules in CNC aqueous dispersions and other reference samples using a dielectric relaxation spectroscopy (DRS) technique in the microwave frequency range (0.2–20 GHz). As the CNC concentration increases, two slow relaxation components become prominent. The comparison with DRS data of aqueous dispersions of nanoporous silica, polyvinyl alcohol (PVA), and hairy CNC (HCNC) with amorphous chains protruding from both ends suggested that these slow relaxation modes of water near CNC surfaces cannot be attributed to direct hydrogen bonding interactions with the hydroxyl (OH) groups exposed and immobilized at the solid surface. Instead, they are similar to the water molecules interacting with OH groups attached to flexible polymer chains. Molecular dynamics (MD) simulations of the polarization behavior of water near the (110) facet of cellulose Iβ crystals confirmed that the interactions of water molecules with the cellulose crystal surface do not cause slower relaxations in the frequency range studied via the DRS. These results indicated that the CNC surface cannot be depicted with the crystallographic facets of cellulose Iβ; instead, it resembles a polymer-brush surface on which the short glucan residues or fragments of the strong acid-catalyzed hydrolysis process are swollen and extended into the aqueous phase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Attaining freshwater and estuarine-water soil saturation in an ecosystem-scale coastal flooding experiment

Abstract Coastal upland forests are facing widespread mortality as sea-level rise accelerates and precipitation and storm regimes change. The loss of coastal forests has significant implications for the coastal carbon cycle; yet, predicting mortality likelihood is difficult due to our limited understanding of disturbance impacts on coastal forests. The manipulative, ecosystem-scale Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatments (TEMPEST) experiment addresses the potential for freshwater and estuarine-water disturbance events to alter tree function, species composition, and ecosystem processes in a deciduous coastal forest in MD, USA. The experiment uses a large-unit (2000 m 2 ), un-replicated experimental design, with three 50 m × 40 m plots serving as control, freshwater, and estuarine-water treatments. Transient saturation (5 h) of the entire soil rooting zone (0–30 cm) across a 2000 m 2 coastal forest was attained by delivering 300 m 3 of water through a spatially distributed irrigation network at a rate just above the soil infiltration rate. Our water delivery approach also elevated the water table (typically ~ 2 m belowground) and achieved extensive, low-level inundation (~ 8 cm standing water). A TEMPEST simulation approximated a 15-cm rainfall event and based on historic records, was of comparable intensity to a 10-year storm for the area. This characterization was supported by showing that Hurricane Ida’s (~ 5 cm rainfall) hydrologic impacts were shorter (40% lower duration) and less expansive (80% less coverage) than those generated through experimental manipulation. Future work will apply TEMPEST treatments to evaluate coastal forest resilience to changing hydrologic disturbance regimes and identify conditions that initiate ecosystem state transitions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Traction-separation response of bilayer graphene interfaces: The role of an intercalated single atomic layer of water molecules and hydroxyl groups

Molecular dynamics simulations of the normal and shear traction-separation response of dry and wet bilayer graphene interfaces were performed. The influence of a single, atomic layer of water molecules sandwiched between graphene layers and hydroxyl functionalization on one or both layers were investigated. Hydroxyl groups provided a shielding effect during normal separation while favoring stick-slip friction under sliding conditions. The single, atomic layer of water molecules confined between hydrophilic and asymmetric hydrophobic/hydrophilic surfaces was found to ease sliding friction. The mechanisms arose from the balance between the attractive and repulsive graphene/water interactions through bridges of single water molecules between the two surfaces and the structure of the water monolayer under confinement for which an out-of-plane water/water hydrogen bond network could not be developed. The single, atomic layer of water molecules reduced the sliding friction the most when both surfaces were hydrophilic and lowered the sliding friction of the asymmetric hydrophobic/hydrophilic interfaces to that when both surfaces were hydrophobic. An optimal hydroxyl surface coverage of less than 10% may exist for efficient water lubrication, with diminishing effect with increasing number of hydroxyl groups. Finally, the findings offer a design strategy for assembling bilayer graphene interfaces with tailored friction and sliding contact properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Techno-economic analysis of converting oil & gas produced water into valuable resources

Managing produced water from oil and gas wells constitutes a significant portion of the costs of operating a well. Here, in this work, we have designed two different centralized water treatment facilities capable of managing produced water from oil and gas wells in Texas and Louisiana, both of which convert the produced water into the following valuable resources: ten-pound brine and fresh water. The two main designs each use commercially available technology with varying levels of establishment in treating produced water. Both treatment processes remove oil and grease and suspended solids, reduce the divalent ion concentrations, and concentrate the brines to a near-saturation state. The baseline design uses chemical precipitation to remove the divalent ions to meet the reuse specifications, whereas the advanced design uses nanofiltration (NF) membranes to separate divalent ions and uses reverse osmosis (RO) membranes to partially concentrate the brine. Both models use mechanical vapor recompression to concentrate the brine up to NaCl saturation. The baseline process is shown to be cost-effective for low-hardness brines. In the case of high hardness, the chemical precipitation step is cost-prohibitive. We find that NF membranes are a promising alternative to chemical precipitation as a means of separating monovalent and divalent ions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

A novel green hydrogen production using water-energy nexus framework

The transformation of electrical energy to hydrogen via water electrolysis consumes considerable amount of fresh water and a productive use of nontraditional water sources enhances the reliability and resilience of energy and water systems. In this study, we have designed a solid oxide electrolysis cell (SOEC) system which is an evolving hydrogen production technology at high temperatures for water electrolysis. Here, the SOEC uses steam generated from flue gas as its feedstock and is fully integrated with numerous power production units, including coal and natural gas-fired power plants as its energy feedstock. While there is a hasten global shift away from fossil fuel, integrating its asset into this technology helps limit the risk and future losses of stranded assets and reduce the cost of investment in the new technologies. But high capital expenditures and doubt concerning the future cost and efficiency upgrade are obstacles to investing in water electrolysis. Such a detailed Levelized cost of hydrogen and techno-economic analysis is conducted to show the viability and environmental impacts of this novel technology. The results show SOEC efficiency of 97.4 % and 56.3 % as thermal-to-hydrogen efficiency of the system with a daily hydrogen production of 242,400 kg at $2.9–3.5/kg H 2 . The estimates show a positive gain prospect in this technology and techno-economic challenges.

08 HYDROGEN↗
DOE OSTI2026

Integrating science for water security governance

Hydrological extremes are intensifying globally, increasing the complexity of decisions required to ensure water security. Advances in hydrological science, modeling, and data systems have expanded the technical frontier of water research, yet uptake of scientific insights in policy and management decisions remains limited. This persistent science–policy gap is not primarily a failure of knowledge generation or robustness, but an institutional challenge shaped by how scientific and governance systems are organized, coordinated, and connected to support the effective use of scientific knowledge. These challenges are particularly pronounced in multi-level and transboundary water governance, where decisions span jurisdictions and require coordination across institutional and political boundaries. We synthesize research at the science–policy interface and evidence from water security initiatives to show how institutional arrangements, scientific tool development, and research practices enable or constrain the sustained use of scientific knowledge in water-security governance processes. Building on these insights, we develop ‘shared decision infrastructure’ as a framing to describe how scientific knowledge is embedded within the institutional, relational, and procedural arrangements that connect science to decision-making processes over time. We translate this framing into a practical intervention roadmap centered on institutional design, tool translation, sustained co-production, and outcome-oriented evaluation to support the integration of science into ongoing governance processes. By positioning science as shared decision infrastructure, the roadmap clarifies how researchers can design scientific efforts that support more coordinated, accountable, and adaptive water security decisions amid deepening uncertainty.

M whitney, Kristen [NASA Goddard Space Flight Cent↗
DOE OSTI2020

Experimental measurements of fuel and water crossover in an active DMFC

This work measured polarization curves as well as the high-frequency resistance of active direct methanol fuel cell (DMFC) operates at around 80 °C with active controls of temperature, methanol concentration, airflow rate, and relative humidity. The relative humidity of the air did not have noticeable impacts on the fuel cell unless the operating temperature was near the evaporation temperature of water (100 °C). The hydrophobic water management layer (WML) between the membrane electrode assembly (MEA) and cathode air channel increases the mass transfer resistance and improves the water retention in MEA. Adding a WML increased the peak power density, decreased the ohmic resistance, and improved the fuel efficiency of the fuel cell, especially when it operated near 100 °C. This study also quantitatively measured methanol and water crossover as well as the fuel efficiency at different operating currents. The fuel efficiency increased significantly with the increase of the current density. Using a hydrophobic fuel management layer (FML) between the anode fuel channel and MEA reduced the fuel and water crossover rates and increased the ohmic resistance due to the decrease of the water content of the Nafion membrane. The FML improved fuel efficiency by reducing the methanol crossover. The combination of the FML and WML enabled the steady operation of DMFC using highly concentrated methanol solutions (up to 75 wt%).

08 HYDROGEN↗
DOE OSTI2022

Exploring the benefits of utilizing small modular device for sustainable and flexible shale gas water management

Growing shale gas extraction in recent years has triggered wide discussions on the associated freshwater requirement and wastewater management. Many optimization approaches have been developed for shale gas water management; however, most of the studies assumed permanent utilization of wastewater treatment facilities with fixed capacities. Considering the rapidly declining characteristics of shale gas wastewater production, these treatment facilities could remain largely underutilized after the first few months/years of production, making them less economically attractive. To maximize the capacity utilization of treatment facilities and further improve the economic performance of shale gas development, this study develops a systematic optimization framework, where the capacity strategy of conventional treatment facilities and utilization of the recent concept of modular manufacturing are both considered for flexible shale gas water management. The proposed mixed-integer linear programming (MILP) model simultaneously optimizes the design and planning of integrated shale gas and water supply chain, with a focus on capacity planning for both large-scale conventional treatment facilities and small-scale modular devices. A series of Marcellus-based case studies are performed to illustrate the applicability of the proposed model and provide general insights into the trade-offs between the multiple types of treatment facilities. The optimization results reveal that the combinatorial utilization of conventional facilities and modular devices for wastewater treatment (66% by conventional facilities and 34% by modular devices) brings 9.3% more reused water for other well development and 6.2% savings in water-related costs, compared to flexible management of only conventional facilities. Furthermore, this work suggests that taking modular device as auxiliary equipment for shale gas water management is most beneficial to increase the capacity utilization of treatment facilities and achieve a more economic and sustainable shale gas production system.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2022

Energy-effective and low-cost carbon capture from point-sources enabled by water-lean solvents

Aqueous amines, as the most mature carbon capture technology, are subject to high energy and cost penalties due to the large water content in their formulations. Emerging technologies are in demand to enable a transition to a low-carbon global economy. However, rigorous process modeling and techno-economic analyses are limited for emerging carbon capture technologies. Here, four CO 2 -Binding Organic Liquids (CO 2 BOLs), all water-lean solvents were presented as promising options towards energy-effective and low-cost carbon capture from point sources. Rigorous solvent property and process models were developed in Aspen Plus for a coal-fired power plant with CO 2 BOL-based carbon capture unit. Techno-economic analyses were conducted in 2018 US pricing basis. The results suggest that water-lean formulations can minimize water condensation and vaporization, leading to a 36% energy saving compared with aqueous amines. Indeed, these CO 2 BOLs can capture up to 97–99% CO 2 from coal fired plant. The estimated carbon capture cost is about $40/tonne CO 2 at 90–97% carbon capture rate, about 12–23% less expensive than the conventional aqueous amine technology. The comparison between these CO 2 BOLs showed that in addition to vapor liquid equilibrium and kinetics (key properties for aqueous solvents), viscosity, volatility, and hydrophobicity, also have strong impacts on the performance of water-lean solvents. The methods presented in this work can be used to evaluate other emerging carbon capture technologies, while the results linking costs and performance of carbon capture solvents with their properties. Additionally, this work identifies research directions and targets for further reductions in total costs of capture from either cost or energy perspectives for these leading water-lean solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗