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

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Developing a sustainability science approach for water systems

We convened a workshop to enable scientists who study water systems from both social science and physical science perspectives to develop a shared language. This shared language is necessary to bridge a divide between these disciplines’ different conceptual frameworks. As a result of this workshop, we argue that we should view socio-hydrological systems as structurally co-constituted of social, engineered, and natural elements and study the “characteristic management challenges” that emerge from this structure and reoccur across time, space, and socioeconomic contexts. This approach is in contrast to theories that view these systems as separately conceptualized natural and social domains connected by bi-directional feedbacks, as is prevalent in much of the water systems research arising from the physical sciences. A focus on emergent characteristic management challenges encourages us to go beyond searching for evidence of feedbacks and instead ask questions such as: What types of innovations have successfully been used to address these challenges? What structural components of the system affect its resilience to hydrological events and through what mechanisms? Are there differences between successful and unsuccessful strategies to solve one of the characteristic management challenges? If so, how are these differences affected by institutional structure and ecological and economic contexts? To answer these questions, social processes must now take center stage in the study and practice of water management. We also argue that water systems are an important class of coupled systems with relevance for sustainability science because they are particularly amenable to the kinds of systematic comparisons that allow knowledge to accumulate. Indeed, the characteristic management challenges we identify are few in number and recur over most of human history and in most geographical locations. This recurrence should allow us to accumulate knowledge to answer the above questions by studying the long historical record of institutional innovations to manage water systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ionomer Optimization for Hydroxide-Exchange-Membrane Water Electrolyzers Operated with Distilled Water: A Modeling Study

The hydroxide-exchange-membrane water electrolyzer (HEMWE) is a promising means to store intermittent renewable energy in the form of hydrogen chemical energy. The hydroxide-exchange ionomer (HEI) in the gas-evolving electrodes and the hydroxide-exchange membrane (HEM) are key components of HEMWE. In this work, we simulate the cell and examine explicitly the impact of HEI and HEM properties with a focus on improving HEMWE performance when operated with distilled water ( i.e ., no supporting electrolyte). The tradeoff between the ionic conductivity gain and electrochemically active surface area (ECSA) loss is studied. For a constant catalyst loading, distributing more catalyst next to the HEM or making thinner but denser catalyst layer is beneficial for HEMWE performance. The results demonstrate that a higher water diffusion coefficient is desired for HEM to supply reactant water to the cathode. In contrast, a lower water diffusion coefficient is preferred for the cathode HEI to retain the water in the regions with high reaction rates. Overall, the findings provide important insights to optimizing HEI/HEM materials for improved HEMWE performance.

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

A Deep Potential model for liquid–vapor equilibrium and cavitation rates of water

Computational studies of liquid water and its phase transition into vapor have traditionally been performed using classical water models. Here, we utilize the Deep Potential methodology—a machine learning approach—to study this ubiquitous phase transition, starting from the phase diagram in the liquid–vapor coexistence regime. The machine learning model is trained on ab initio energies and forces based on the SCAN density functional, which has been previously shown to reproduce solid phases and other properties of water. Here, we compute the surface tension, saturation pressure, and enthalpy of vaporization for a range of temperatures spanning from 300 to 600 K and evaluate the Deep Potential model performance against experimental results and the semiempirical TIP4P/2005 classical model. Moreover, by employing the seeding technique, we evaluate the free energy barrier and nucleation rate at negative pressures for the isotherm of 296.4 K. Further, we find that the nucleation rates obtained from the Deep Potential model deviate from those computed for the TIP4P/2005 water model due to an underestimation in the surface tension from the Deep Potential model. From analysis of the seeding simulations, we also evaluate the Tolman length for the Deep Potential water model, which is (0.091 ± 0.008) nm at 296.4 K. Finally, we identify that water molecules display a preferential orientation in the liquid–vapor interface, in which H atoms tend to point toward the vapor phase to maximize the enthalpic gain of interfacial molecules. We find that this behavior is more pronounced for planar interfaces than for the curved interfaces in bubbles. This work represents the first application of Deep Potential models to the study of liquid–vapor coexistence and water cavitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

W.A.T.E.R. Water Assessment & Technical Efficiency Report

Water use at Los Alamos National Laboratory (LANL) has become a top priority due to New Mexico’s arid climate. LANL is taking steps to reduce its current water footprint and become a national leader in water efficiency. LANL used approximately 271 million gallons of water in FY 2021. Despite the large water footprint, the Lab has reduced its water use by 2% each year since a 2007 baseline. To continue this positive trend of water conservation, the water management team at Utilities & Infrastructure – Operations Support & Improvement (UI-OSI) studied water usage across campus and developed several water reduction strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Analysis of water–energy nexus and trends in support of the sustainable development goals: A study using longitudinal water–energy use data

Water and energy are two critical natural resources necessary for human activities and socioeconomic development. Water and energy systems are highly interdependent, and water efficiency and energy efficiency are two related indicators for the United Nations' Sustainable Development Goals. It is critical to improve energy–water use efficiency to sustain socioeconomic development while reducing adverse effects on natural resources, society and the environment. By using longitudinal energy–water use data for China over the past 21 years, this paper develops a temporo-spatial study to address key issues and introduce analytical approaches needed to understand the water–energy nexus and support integrated resource planning and management to achieve the Sustainable Development Goals. Decomposition analysis indicates that the production effect was the dominating factor contributing the increase in the country's energy–water use, while energy–water efficiency is the major factor slowing the growth of the country's energy–water use. Changes and trends analyses show that the country's energy intensity, water intensity, and water/energy ratio significantly decreased from 1999 to 2019, but the rate of decline has slowed. The disparities of the country's provincial energy intensities, water intensities, and water/energy ratios significantly decreased with economic growth. Results suggest that improving energy–water efficiency is critical for the country to curb increasing energy and water use and achieve resource and environmental protection targets with rapid economic development. Furthermore, the disparities between regional energy-water efficiencies can be reduced along with economic growth, while an overheated economy can widen the disparities and result in unsustainable and inefficient utilization of resources. Government coordination, targets and policy as part of the efficiency governance system are critical for continuous energy–water efficiency improvement and directly influence the implementation and effectiveness of energy–water efficiency policy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Water-induced surface ordering facilitating the microcutting of ductile metals

Metal cutting is a crucial process in modern manufacturing. Enhancing the machinability of metals can significantly improve their production efficiency and surface integrity. Coating surface-active media (SAM) on the free surface of the metals before cutting is an easy method to improve machinability, which usually pertains to the category of the renowned Rehbinder effect. However, the existing SAM is usually hazardous and complex materials. Besides, the effect of SAM on the local structure of the metal surface remains unclear. In this study, water is employed as a simple yet often overlooked SAM in the microcutting of copper. Using water as SAM also allows the employment of X-ray absorption fine structure spectroscopy (XAFS) to study the local structure of copper with and without water coating. Results show that water coating on the free surface of copper can significantly reduce the cutting force and chip thickness, and improve the surface finish. Interestingly, removing the water coating enables the recovery of the cutting force, demonstrating a reversible effect. Based on the XAFS results and molecular dynamics simulation, a water-induced surface ordering mechanism is proposed to explain the findings from the microcutting experiments. This mechanism suggests that water molecules can induce surface ordering in copper, resulting in reduced surface energy and fracture toughness of copper, thus enhancing machinability. In conclusion, this work provides valuable insights into the comprehension of the Rehbinder effect and shows that picometer-scale modifications of the surface atom arrangement can considerably alter the deformation mode of metals, paving the way for the development of new manufacturing processes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A new capability for investigating the structure and dynamics of liquids at high pressures

Water and aqueous solutions are critical to many areas of science and technology. As a result, tremendous effort has been devoted to understanding them in detail. Despite over a century of research, fundamental questions about water and aqueous solutions remain unanswered. However, an intriguing possibility – that liquid water can exist in two thermodynamically distinct states – has emerged as the most likely explanation. The problem is that experimental confirmation of this hypothesis requires experiments on water at high pressures and low temperatures, conditions in which liquid water only exists briefly before turning into crystalline ice. This project investigated the feasibility of developing a new capability for study water and aqueous solutions under these challenging conditions. The physical constraints, such as the timescales for crystallization and thermal diffusion in supercooled water, were evaluated along with their impact on the design criteria for the instrument. Several basic design options were considered that could meet the technical requirements. The options were also evaluated with respect to their use of commercially available equipment versus the need for custom designs or in-house development. The project identified two viable options to pursue. The first option would use a high-pressure syringe pump in conjunction with fused silica (or sapphire) capillaries. The second option would use a diamond anvil cell. These options can both be used with optical spectroscopies, such as Raman or Infrared.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

PSInet: a new global water potential network

Abstract Given the pressing challenges posed by climate change, it is crucial to develop a deeper understanding of the impacts of escalating drought and heat stress on terrestrial ecosystems and the vital services they offer. Soil and plant water potential play a pivotal role in governing the dynamics of water within ecosystems and exert direct control over plant function and mortality risk during periods of ecological stress. However, existing observations of water potential suffer from significant limitations, including their sporadic and discontinuous nature, inconsistent representation of relevant spatio-temporal scales and numerous methodological challenges. These limitations hinder the comprehensive and synthetic research needed to enhance our conceptual understanding and predictive models of plant function and survival under limited moisture availability. In this article, we present PSInet (PSI—for the Greek letter Ψ used to denote water potential), a novel collaborative network of researchers and data, designed to bridge the current critical information gap in water potential data. The primary objectives of PSInet are as follows. (i) Establishing the first openly accessible global database for time series of plant and soil water potential measurements, while providing important linkages with other relevant observation networks. (ii) Fostering an inclusive and diverse collaborative environment for all scientists studying water potential in various stages of their careers. (iii) Standardizing methodologies, processing and interpretation of water potential data through the engagement of a global community of scientists, facilitated by the dissemination of standardized protocols, best practices and early career training opportunities. (iv) Facilitating the use of the PSInet database for synthesizing knowledge and addressing prominent gaps in our understanding of plants’ physiological responses to various environmental stressors. The PSInet initiative is integral to meeting the fundamental research challenge of discerning which plant species will thrive and which will be vulnerable in a world undergoing rapid warming and increasing aridification.

Forestry↗
DOE OSTI2023

Feasibility Study for Renewable Energy Technologies in Alaska Offshore Waters

This study assesses the feasibility of ocean-based renewable energy sources for decarbonizing the energy supply, increasing coastal resilience, and building energy security and independence in Alaska with a focus on the Outer Continental Shelf (OCS) areas south of the Bering Strait and approximately east of the 169th meridian. Alaska's OCS holds vast renewable energy resource potential including, but not limited to, offshore wind, tidal and wave energy. However, most of this energy resource is "stranded" far from load centers (populations or industrial facilities) that could use the power. Therefore, developing these resources would also require monetizing the resource in some way. In this study we investigate hydrogen production as one monetizing opportunity, and we briefly discuss other possible markets for electricity.

08 HYDROGEN↗
DOE OSTI2022

Time for a drought experiment: Do you know your plants’ water status?

Abstract Drought stress is an increasing concern because of climate change and increasing demands on water for agriculture. There are still many unknowns about how plants sense and respond to water limitation, including which genes and cellular mechanisms are impactful for ecology and crop improvement in drought-prone environments. A better understanding of plant drought resistance will require integration of several research disciplines. A common set of parameters to describe plant water status and quantify drought severity can enhance data interpretation and research integration across the research disciplines involved in understanding drought resistance and would be especially useful in integrating the flood of genomic data being generated in drought studies. Water potential (ψw) is a physical measure of the free energy status of water that, along with related physiological measurements, allows unambiguous description of plant water status that can apply across various soil types and environmental conditions. ψw and related physiological parameters can be measured with relatively modest investment in equipment and effort. Thus, we propose that increased use of ψw as a fundamental descriptor of plant water status can enhance the insight gained from many drought-related experiments and facilitate data integration and sharing across laboratories and research disciplines.

Juenger, Thomas E. (ORCID:0000000195509288)↗
DOE OSTI2021

Evaluating fine-resolution, regional outputs of a variable resolution global climate model

Climate models have been used to study water resources and regional hydrologic responses to climate change, but climate model outputs must be downscaled to provide relevant regional data. However, the accuracy of this regional data is limited by uncertainties across and within downscaling methods, uncertainty across global outputs, and discontinuities at downscaled boundaries. A new alternative to traditional downscaling is a variable resolution model that incorporates fine-resolution regions directly into a coarse-resolution, global climate simulation in order to capture contiguous dynamics across resolution boundaries. In this study, we used the Variable-Resolution Community Earth System Model (VR-CESM) to generate one-eighth degree (14 km) fine-resolution outputs for the western U.S. and eastern China from 1970-2006. We focus our evaluation on precipitaiton, temperature, snow pack, solar radiation, and wind. We compare the model outputs with remote-sensing-based precipitation data, and both reanalysis and gridded weather station data for precipitation and temperature. VR-CESM generally has a cold bias in winter and a warm bias in summer in the western U.S., which compensate each other to reduce the annual bias. In eastern China, however, the sign of temperature biases are more consistent throughout the year with cold biases in the higher mountains and warm biases throughout most of the rest of the region. Precipitation biases are dependent upon reference data, and show slight overestimation in high mountain regions in both the U.S. and China with respect to gridded weather station data. Simulated snow cover in the western U.S. is reasonable compared to remote sensing data, but snow cover and snow water equivalent have larger biases when compared to reanalysis data. In eastern China there are widespread snow cover biases compared to remote sensing data. VR-CESM underestimates downward shortwave radiation to a greater degree in summer than in winter, and underestimates surface layer windspeed over mountains to a greater degree than in other areas. Comparison between VR-CESM and a coarser simulation (1-degree Beijing Climate Center model) shows reduced precipitation biases in the mountainous regions with finer resolution, indicating the value of variable-resolution modeling for reigonal studies.

Di Vittorio, Alan↗
DOE OSTI2024

Impact of Floating PV (FPV) System on Water Evaporation: Case Study of an Open Loop Reservoir in North Carolina

Fresh water scarcity is becoming one of the important concerns worldwide. This situation of water scarcity is further exacerbated by the increase in water evaporation due to climate change. This manuscript will address this concern by considering the impact of floating photovoltaics (FPVs) systems on water evaporation. The installation of PV modules on the water bodies can help reduce the water evaporation rate from reservoirs by reducing the evaporating area of the water surface. This work evaluates the effect of FPV on water evaporation rates in the TuckerTown reservoir located in North Carolina state of United States. Meteorological data, such as mean temperature and dew-point, are used to calculate the rate of the water evaporation by Linacre method. The simulation results for the TuckerTown case study showed that the aggregated avoided evaporated volume for one year is 9 million gallons.

14 SOLAR ENERGY↗
DOE OSTI2022

On the Mechanism of the Steady-State Gamma Radiolysis-Induced Scissions of the Phenyl-Vinyl Polyester-Based Resins

The major societal problem of polymeric waste necessitates new approaches to break down especially challenging discarded waste streams. Gamma radiation was utilized in conjunction with varying solvent environments in an attempt to discern the efficacy of radiolysis as a tool for the deliberate degradation of model network polyesters. Our EPR results demonstrated that gamma radiolysis of neat resin and in the presence of four widely used solvents induces glycosidic scissions on the backbone of the polyester chains. EPR results clearly show the formation of alkoxy radicals and C-centered radicals as primary intermediate radiolytic products. Despite the protective role of the phenyl groups on the backbone of the radiation-induced polyester chains, the radiolytic-glycosidic scissions predominate. Among the following three solvents used in this study (water, isopropyl alcohol, and dichloromethane), the highest radiolytic yield of glycosidic scission was achieved using water. The •OH radicals produced in the radiolysis of phenyl unsaturated polyester aqueous suspensions very rapidly abstract H atoms from the methylene group, which is followed by a very rapid glycosidic scission. The lowest glycosidic yield was found in the dichloromethane solutions of these polyester resins due to scavenging by the fast electron capture reactions.

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

Quasielastic and Inelastic Neutron Scattering Study of Ultraconfined Water in Natural Mordenite ((Ca,Na 2 ,K 2 )Al 2 Si 10 O 24 ·7H 2 O)

Mordenite ((Ca,Na 2 ,K 2 )Al 2 Si 10 O 24 ·7H 2 O) is a natural and synthetic nanoporous zeolite containing several channels of different sizes in its structure. Because of this, its structure provides an important opportunity to study the relationship between confined and ultraconfined water as these channels have sizes between those typical of these water environments. In this study, the properties of water molecules in these environments were analyzed using inelastic and quasielastic neutron spectroscopy of a natural mordenite. The quasielastic spectra showed the presence of nonfreezing, mobile water molecules through the entire temperature range of the measurements, but very little anisotropy of the dynamics measured along and perpendicular to the channels. Faster and slower quasi-elastic neutron scattering (QENS) components may be consistent with the presence of two separate classes of water molecules in mordenite. Inelastic neutron spectroscopy also found no evidence of directional anisotropy. In conclusion, the strong intensity characteristic of neutron recoil on protons from highly mobile water molecules at low temperature (5 K), along with a significant shift of water librational band to lower energies and the O–H stretching modes to high energies, indicate that the hydrogen bonds acting on these water molecules in mordenite resemble those in liquid water rather than ice.

Crystal structure↗
DOE OSTI2025

Observation of a mixed close-packed structure in superionic water

The study of superionic (SI) water has been a highly active research area since its theoretical prediction. Despite significant experimental and computational efforts, its melting curve and the stability of different oxygen lattices remain debated, impacting our understanding of SI ice’s peculiar transport properties. Experimental results at lower pressures show disagreement, whereas data at higher pressures are scarce due to the extreme challenges of such experiments. In this work, we present ultrafast X-ray diffraction results of water compressed by multiple shocks to pressures up to ~ 180 GPa. At pressures exceeding 150 GPa and temperatures around 2500 K, our diffraction patterns challenge the pure FCC-SI phase model, providing experimental evidence of the mixed close-packed superionic phase predicted by advanced ab initio calculations. At lower pressures, we observe simultaneous signatures of BCC and FCC structures within a pressure-temperature range consistent with some static-compression experiments, helping to resolve contradictory results in literature. These insights offer new constraints on the stability domains of SI phases and reveal detailed structural features, such as stacking faults. Our results advance the structural understanding of high-pressure SI ice to a level approaching that of ice I polymorphs, with potential implications for water-rich interiors of giant planets.

Andriambariarijaona, Leon [Centre National de la R↗
DOE OSTI2025

Using stable isotopes in water vapor to study the interdependence of clouds, atmospheric aerosols, and precipitation processes

This project deployed water vapor isotope measurements at the La Porte, Texas TRACER site during June-September 2022 to quantify mixing processes in sea breeze circulations. Using a Picarro L2130 analyzer, we collected high-frequency measurements of δD and δ¹⁸O that revealed how marine and terrestrial air masses mix during 46 identified sea breeze events. The isotopic tracers showed systematic changes during frontal passages, with composite analyses demonstrating vertical mixing between cool marine air and warmer air aloft. We developed a transilient matrix model that explicitly treats non-local mixing and isotopic fractionation to interpret the observations. The work directly supports TRACER's core objective of understanding convective initiation by constraining the vertical transport of water vapor and its interaction with Houston's aerosol-laden urban plume during sea breeze-convection coupling.

58 GEOSCIENCES↗