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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sinuosity‐Driven Hyporheic Exchange: Hydrodynamics and Biogeochemical Potentials

Abstract Hydrologic exchange processes are critical for ecosystem services along river corridors. Meandering contributes to this exchange by driving channel water, solutes, and energy through the surrounding alluvium, a process called sinuosity‐driven hyporheic exchange. This exchange is embedded within and modulated by the regional groundwater flow (RGF), which compresses the hyporheic zone and potentially diminishes its overall impact. Quantifying the role of sinuosity‐driven hyporheic exchange at the reach‐to‐watershed scale requires a mechanistic understanding of the interplay between drivers (meander planform) and modulators (RGF) and its implications for biogeochemical transformations. Here, we use a 2D, vertically integrated numerical model for flow, transport, and reaction to analyze sinuosity‐driven hyporheic exchange systematically. Using this model, we propose a dimensionless framework to explore the role of meander planform and RGF in hydrodynamics and how they constrain nitrogen cycling. Our results highlight the importance of meander topology for water flow and age. We demonstrate how the meander neck induces a shielding effect that protects the hyporheic zone against RGF, imposing a physical constraint on biogeochemical transformations. Furthermore, we explore the conditions when a meander acts as a net nitrogen source or sink. This transition in the net biogeochemical potential is described by a handful of dimensionless physical and biogeochemical parameters that can be measured or constrained from literature and remote sensing. This work provides a new physically based model that quantifies sinuosity‐driven hyporheic exchange and biogeochemical reactions, a critical step toward their representation in water quality models and the design and assessment of river restoration strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Application of electrodialysis pretreatment to enhance boron removal and reduce fouling during desalination by nanofiltration/reverse osmosis

we report membranes have emerged as promising technologies for treatment of non-traditional waters, but fouling and poor rejection of small, neutral solutes (e.g., boric acid) impede their further implementation for water purification. Boron rejection is increased by raising the pH to convert boric acid to borate ion, but this change often leads to calcite supersaturation. This study investigated the use of a hybrid electrodialysis-nanofiltration/reverse osmosis (ED-NF/RO) system to reduce fouling from calcite precipitation and calcium-polysaccharide sorption to NF/RO membranes. Also, the study examined the potential of the hybrid process to increase permeate flux and boron rejection during NF/RO of synthetic saline water. ED pretreatment reduced calcite oversaturation and reduced flux decline during NF/RO. Low alginate concentrations (25 mg/L) limited NF/RO fouling, but high concentrations (100 mg/L) appeared to promote calcite scaling. ED pretreatment reduced the osmotic pressure of the NF/RO feed water, enabling lower operating pressures or greater permeate water fluxes. Boron rejection during NF/RO increased with ED pretreatment, probably due to stronger electrostatic repulsion and an increase in the fraction of total boron present as B(OH)4- following ED. This hybrid ED-NF/RO system shows promise as a novel approach to enhancing the performance of current membrane systems for treating complex feed waters.

alginate↗
DOE OSTI2017

Modular evaluation method for subsurface activities (MEMSA). A novel approach for integrating social acceptance in a permit decision-making process for subsurface activities

We investigate how the decision support system ‘Modular Evaluation Method Subsurface Activities’ (MEMSA) can help facilitate an informed decision-making process for permit applications of subsurface activities. To this end, we analyze the extent the MEMSA approach allows for a dialogue between stakeholders in a transparent manner. We use the exploration permit for the underground gas storage facility at the Pieterburen salt dome (Netherlands) as a case study. The results suggest that the MEMSA approach is flexible enough to adjust to changing conditions. Furthermore, MEMSA provides a novel way for identifying structural problems and possible solutions in permit decision-making processes for subsurface activities, on the basis of the sensitivity analysis of intermediate rankings. We suggest that the planned size of an activity should already be specified in the exploration phase, because this would allow for a more efficient use of the subsurface as a whole. We conclude that the host community should be involved to a greater extent and in an early phase of the permit decision-making process, for example, already during the initial analysis of the project area of a subsurface activity. We suggest that strategic national policy goals are to be re-evaluated on a regular basis, in the form of a strategic vision for the subsurface, to account for timing discrepancies between the realization of activities and policy deadlines, because this discrepancy can have a large impact on the necessity and therefore acceptance of a subsurface activity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Quantifying uncertainty in the process-structure relationship for Al–Cu solidification

Phase field method (PFM) is a simulation tool to predict microstructural evolution during solidification and is helpful to establish the process-structure relationship for alloys. The robustness of the relationship however is affected by model-form and parameter uncertainties in PFM. In this paper, the uncertainty associated with the thermodynamic and process parameters of PFM is studied and quantified. Surrogate modeling is used to interpolate four quantities of interests (QoIs), including dendritic perimeter, area, primary arm length, and solute segregation, as functions of thermodynamic and process parameters. A sparse grid approach is applied to mitigate the curse-of-dimensionality computational burden in uncertainty quantification. Polynomial chaos expansion is employed to obtain the probability density functions of the QoIs. The effect of parameter uncertainty on the Al–Cu dendritic growth during solidification simulation are investigated. Here, the results show that the dendritic morphology varies significantly with respect to the interface mobility and the initial temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comparison of Geochemical Reactivity of Marcellus and Caney Shale Based on Effluent Analysis

ABSTRACT: In this comparative study, we analyzed the changes in elemental concentrations of hydraulic fracturing fluids after interaction with the Marcellus and Caney Shale formations. The focus was on assessing the inherent risks and environmental implications associated with flowback waters, including their impact on soil, ground, and drinking water quality, and human health safety. The chemical compositions of effluents were determined through Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES) and Mass spectrometry (ICP-MS). The Marcellus Shale, showed concentrations of Cd, averaging 0.380 ppm far exceeding safe water thresholds. Significant levels of As, Se, B, and Pb were detected in both shales, raising concerns about soil and water contamination. Analyzing the effluents from representative samples of sections of the Marcellus (S2 and S7) and Caney (R1 and R2) indicates different geochemical responses over 4 weeks of experiments. This comparison underscores the chemical changes and environmental considerations linked to hydraulic fracturing across shale formations, suggesting the value of tailored monitoring and regulatory measures for each type. 1. INTRODUCTION The Caney and Marcellus shales, differing in geology and geochemistry, represent distinct unconventional reservoirs. The Caney shale, is more ductile, with higher produced water volumes, (Smith et al., 2022) contrasts with the brittle Marcellus shale known for lower brine production but significant data availability. This study aims to elucidate the possible environmental health and safety issues that may arise from the hydraulic fracturing processes. The interaction between fracturing fluids and clays presents a significant challenge. The primary base of these fluids is water, which, when introduced to clay, can induce swelling and constrict flow pathways. This phenomenon is attributed to water molecules infiltrating the layers of clay, particularly in 2:1-type clays, leading to an increased distance between layers. To counteract this, clay stabilizers are employed (Awejori et al., 2021). Despite their effectiveness, these stabilizers are considered temporary solutions. Upon completion of the fracturing process, a concomitant amount of contaminated waters (flow back), with varied content is collected at the surface. From these, we can infer the geochemical reactions and the environmental challenges associated with these waters. Flowback waters can be reinjected or used for other purposes such as irrigation. This requires adequate screening and treatment for safe use.

Dje, L. B.↗
DOE OSTI2018

Efficient Technology for Combined Processing of Silicate and Carbonate Uranium Ores

The results of studies on the processing of carbonate ores with extraction of uranium and molybdenum by means of autoclave and atmospheric leaching and sorption extraction of valuable components using carboxyl cationionites and strongly basic anionites are presented. The most stable and highest indices for the extraction of uranium and molybdenum into solution were obtained for autoclave leaching with the following process parameters: pressure 12–14 psig, temperature ~140°C, pulp processing time 4–6 h, and initial sodium carbonate concentration 40–50 g/dm{sup 3}. The degree of extraction of uranium and molybdenum into solution was ≥96%. Almost complete separation of uranium from molybdenum was obtained on carboxyl cationites without bicarbonate solutions in the pH range 6.5–7.5. An efficient technology is proposed for combined processing of silicate and carbonate ores using a unified sorption scheme making it possible to extract uranium and molybdenum separately while obtaining ammonium uranyl tricarbonate and ammonium paramolybdate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Tailor Made Thin Film Composite Membranes: Potentiality Towards Removal of Hydroquinone from Water

The study investigated the use of thin film composite membrane (TFC) as a potential candidate for hydroquinone removal from water. Thin film composite membranes were prepared by polyamide coating on Polysulfone asymmetric membrane. FTIR study was performed to verify the Polysulfone as well as polyamide functionality. TFC membrane was characterized by contact angle, zeta potential, scanning electron microscopy studies. The salt rejection trend was seen from 500 to 1000 mg/L. The membrane is marked by permeability co-efficient B based on solution diffusion studies. The value is 0.98 × 10{sup −6} m/s for NaCl solution at 1.4 MPa. The separation performance was 88.87% for 5 mg/L hydroquinone at 1.4 MPa. The separation was little bit lowered in acid medium because of the nature of the membrane and feed solute chemistry. The ‘pore swelling’ and ‘salting out’ influenced hydroquinone separation in the presence of NaCl. The hydroquinone separation was 80.63% in 1000 mg/L NaCl solution. In acidic pH, NaCl separation was influenced much more compared to hydroquinone. The separation is influenced by field water matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Multicomponent Reactive Transport Model for Integrated Surface‐Subsurface Hydrology Problems

Abstract Despite the widespread use of integrated hydrology models in a variety of applications, consideration of multicomponent reactive transport is still not common. The implementation of these processes requires coupling transport at the surface‐subsurface interface and efficient solution of the non‐linear geochemical model that is consistent with the integrated hydrology solution. The Advanced Terrestrial Simulator provides a flexible multiphysics framework that facilitated this process. In this work, the integrated reactive transport process kernel (PK) was weakly coupled to the integrated hydrology PK. In turn, integrated transport and reactions were coupled using an operator splitting approach. This splitting enabled an explicit solution of the integrated transport problem, including a novel algorithm to calculate exchange fluxes across the surface‐subsurface interface and a point‐by‐point solution of the geochemical problem. Geochemical capabilities were added using well‐established external codes, but rather than using a custom interface to each, a generic interface was used that clearly specifies the variables and operations used by the chemistry PK. The implementation is demonstrated with two example simulations: transport of a tracer in a soil column as it saturates over time and water ponds on the surface and reactive transport in a hillslope driven by successive wet‐dry cycles that result in infiltration, runoff and exfiltration processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

EFCOG, IOSC Best Practices Guide

Members of the Energy Facility Contractors Group (EFCOG), Safeguards and Security Working Group, Information Security Sub-Working Group Incidents of Security Concern (IOSC) Team prepared this best practice guide. For the purposes of this guide, “best practices” are “positive examples of work processes, procedures, good ideas, or effective solutions. The team made up of IOSC Subject Matter Experts (SME) identified these best practices as a result of actual operational experience and training. The guide describes best practices for categorizing incidents and managing inquiries. These practices may serve as guidelines for developing program plans, policy and procedures. These practices are suggestions for Department sites to consider while working in the IOSC subject area. The authors acknowledge that there may be alternatives to the practices identified in this guide. Subject matter Experts from the IOSC program across the Department developed this guide. Extensive discussion and document reviews were conducted to identify best practices relating to security inquiries. It was not within the scope of this study to assess individual site performance or evaluate compliance. Department of Energy’s (DOE), Order 470.4B, Chg.2, Safeguards and Security Program, July-21-2011, Chg 2, January-17-2017, Attachment 5, Incidents of Security Concern, contains the requirements for the IOSC program. In accordance with DOE directives and requirements established by DOE/National Nuclear Security Administration (NNSA) oversight, the working group evaluated elements of the IOSC program at each of the working group member’s sites such as categorizing events, conducting inquiries, and reporting events. Inconsistencies in categorization across the sites may be due to various factors, including each local field office having different reporting expectations, subjectivity in making determinations, and potential inherent deficiencies in the categorization tables and category descriptions. Many sites have adopted a sub reportable category for a security anomaly event that it believes does not meet the criteria as a reportable IOSC. The sites typically establish a local standardized process for reporting, analyzing, and trending sub-reportable events. Security incident program managers may need to discuss inconsistent categorization with other Inquiry Officials (IO) and suggest standardized solutions (ie…through policy changes or a forum attended by incident program managers and inquiry officials to discuss standardization solutions. At least one EFCOG IOSC team member’s site is currently using the best practices identified in this guide.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

Electrochemically Assisted Single Crystal Growth of Reduced Preyssler Polyoxometalates Decorated with M 2+ ( M = Co, Ni) and Cubane–Like Ni 4 O 4 Units

Polyoxometalates (POMs) are of great interest to the scientific community, and their reduction and nucleation have been well–established by multi–step techniques. The present study develops an electrochemical approach for simultaneous reduction and nucleation of polyoxometalate–containing solids. Herein we report crystal growth of reduced Preyssler polyoxotungstate–based (anionic formula [NaP 5 W 30 O 110 ] 14– ) new crystalline solids made of Preyssler anions interlinked by Co 2+ and Ni 2+ ions. Crystal nucleation and in situ reduction were achieved at room temperature using a two silver wire electrode setup in various aqueous solutions under constant applied potentials. The POM material was deposited on the cathode, and its structure was characterized by X–ray diffraction techniques. The primary structure type observed involves POMs decorated by disordered Co 2+ /Ni 2+ octahedra and fused into 1–D pillars by additional Co 2+ /Ni 2+ octahedra. Additionally, a secondary phase was observed in the Ni–based reactions, where reduced Preyssler anions are decorated by Ni 4 O 4 cubane–like units. To understand the electrochemical process, polarization curves of the electrolyte solutions are presented, suggesting an applied potential best suited for crystal growth. The work highlights the effectiveness of an electrochemical pathway where nucleation and simultaneous reduction of POMs can make novel reduced POM solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Probing Clustering Dynamics between Silicon and PAA or LiPAA Slurries under Processing Conditions

This work explores the complex interplay between slurry aggregation, agglomeration, and conformation (i.e., shape) of poly(acrylic acid) (PAA)- and lithiated PAA-based silicon slurries as a function of the shear rate and the resulting slurry homogeneity. These values were measured by small-angle neutron scattering (SANS) and rheology-coupled ultra-SANS at conditions relevant to battery electrode casting. Different binder solution preparation methods, either a ball milling (BM) process or a planetary centrifugal mixing (PCM) process, dramatically modify the resulting polymer dynamics and organization around a silicon material. This is due to the different energy profiles of mixing where the more violent and higher energy PCM causes extensive breakdown and reformation of the binder, which is now likely in a branched conformation, while the lower energy BM results in simply lower-molecular weight linear polymers. In conclusion, the breakdown and reorganization of the polymer structure affect silicon slurry homogeneity, which affects subsequent electrode architecture.

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

Directional Crystallization of Conjugated Molecules during Coating Processes

The coating of organic molecules from the solution phase can result in directional crystal growth under certain conditions, even on a smooth isotropic surface and without the need of any kind of graphoexpitaxial preparation of the substrate. Based on reviewing the results from a variety of coating techniques and coating parameters, we identified that it is crucial for the coating speed to match the growth speed of the fastest growing crystal plane to achieve a high degree of directional crystallization.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Improved Superconducting Properties of Thick YBa{sub 2}Cu{sub 3}O{sub 7−δ} Film by Adding Amino-Rich Polyethyleneimine in Precursor Solution

Polyethyleneimine (PEI) with an amount of –NH{sub 2} groups used in precursor solution could effectively reduce Cu{sup 2+} volatilization during the pyrolysis process. Thermogravimetric analysis shows that the temperature window of low-temperature pyrolysis for precursor solution with PEI (PEI-YBCO) is widened significantly. The slower pyrolysis process can enrich Cu{sup 2+} and improve critical current density (J{sub c}) of PEI-YBCO films. The highest J{sub c} is 3.03 MA/cm{sup 2} at 77 K when the amount of PEI is 0.5 g/10 mL and the film thickness is 400 nm. Then the thickness increases from 0.4 to 2.0 μm by changing the coating times. The J{sub c} values of PEI-YBCO films decrease gradually with the thickness increase. However, the critical current (I{sub c}) can be up to 197 A/cm (at 77 K, self-field) and J{sub c} can still keep 1.68 MA/cm{sup 2} at 1.2 μm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Sensor for Measuring Hydrogen Partial Pressure in Parabolic Trough Power Plant Expansion Tanks

The National Renewable Energy Laboratory and Acciona Energy North America are working together to design and implement a process system that provides a permanent solution to the issue of hydrogen buildup at parabolic trough power plants. We are pursuing a method that selectively removes hydrogen from the expansion tanks that serve as reservoirs for the heat transfer fluid (HTF) that circulates in the collector field and power block components. Our modeling shows that removing hydrogen from the expansion tanks at a design rate reduces and maintains dissolved hydrogen in the circulating HTF to a selected target level. Our collaborative work consists of several tasks that are needed to advance this process concept to a development stage, where it is ready for implementation at a commercial power plant. Our main effort is to design and evaluate likely process-unit operations that remove hydrogen from the expansion tanks at a specified rate. Additionally, we designed and demonstrated a method and instrumentation to measure hydrogen partial pressure and concentration in the expansion-tank headspace gas. We measured hydrogen partial pressure in the headspace gas mixture using a palladium-alloy membrane, which is permeable exclusively to hydrogen. The membrane establishes a pure hydrogen gas phase that is in equilibrium with the hydrogen in the gas mixture. We designed and fabricated instrumentation, and demonstrated its effectiveness in measuring hydrogen partial pressures over a range of three orders of magnitude. Our goal is to install this instrument at the Nevada Solar One power plant and to demonstrate its effectiveness in measuring hydrogen levels in the expansion tanks under normal plant operating conditions.

14 SOLAR ENERGY↗
DOE OSTI2017

Roll-to-Roll Printed Large-Area All-Polymer Solar Cells with 5% Efficiency Based on a Low Crystallinity Conjugated Polymer Blend

The challenge of continuous printing in high-efficiency large-area organic solar cells is a key limiting factor for their widespread adoption. We present a materials design concept for achieving large-area, solution-coated all-polymer bulk heterojunction solar cells with stable phase separation morphology between the donor and acceptor. The key concept lies in inhibiting strong crystallization of donor and acceptor polymers, thus forming intermixed, low crystallinity, and mostly amorphous blends. Based on experiments using donors and acceptors with different degree of crystallinity, the results show that microphase separated donor and acceptor domain sizes are inversely proportional to the crystallinity of the conjugated polymers. This particular methodology of using low crystallinity donors and acceptors has the added benefit of forming a consistent and robust morphology that is insensitive to different processing conditions, allowing one to easily scale up the printing process from a small-scale solution shearing coater to a large-scale continuous roll-to-roll (R2R) printer. Large-area all-polymer solar cells are continuously roll-to-roll slot die printed with power conversion efficiencies of 5%, with combined cell area up to 10 cm 2 . This is among the highest efficiencies realized with R2R-coated active layer organic materials on flexible substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Speed-of-light pulses in the massless nonlinear Dirac equation with a potential

In this work, we consider the massless nonlinear Dirac (NLD) equation in 1 + 1 dimension with scalar-scalar self-interaction g 2 2 ( Ψ ¯ Ψ ) 2 in the presence of three external electromagnetic real potentials V ( x ) , a potential barrier, a constant potential, and a potential well. By solving numerically the NLD equation, we find different scenarios depending on initial conditions, namely, propagation of the initial pulse along one direction, splitting of the initial pulse into two pulses traveling in opposite directions, and focusing of two initial pulses followed by a splitting. For all considered cases, the final waves travel with the speed of light and are solutions of the massless linear Dirac equation. During these processes the charge and the energy are conserved, whereas the momentum is conserved when the solutions possess specific symmetries. For the case of the constant potential, we derive exact analytical solutions of the massless NLD equation that are also solutions of the massless linearized Dirac equation. Decay or growth of the initial pulse is also predicted from the evolution of the charge for the case of a non-zero imaginary part of the potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Controlling the Morphology of PEDOT:PSS Blend Films with Pre-Deposition Solution Composition and Deposition Technique

Understanding the relationships between morphology, fabrication processes, and thermoelectric performance in conducting polymers is essential to the development of high- efficiency organic thermoelectrics as an alternative to commonly used rare metals. Altering the film fabrication process of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) with the addition of high boiling solvents to the precast solution improves the electrical conductivity and significantly increases its Seebeck value. Neutron scattering monitors the changes in the atomic, nanoscale, and mesoscale morphologies of PEDOT:PSS thin films with the addition of dimethyl sulfoxide (DMSO) to the aqueous solution prior to film formation and with varying fabrication procedures. The neutron scattering results show a decrease in the deuterated PSS domain size along with systematic variations in PEDOT fibril assemblies in the final blend film with the addition of DMSO to the pre-deposition solution. These structural modifications indicate that the increase in conductivity of PEDOT:PSS blends with addition of DMSO reported in the literature can be ascribed to the disruption of solvated PEDOT assemblies by the DMSO, forming smaller PSS domains in the pre-deposition solution and allowing smoother film formation. These improvements are observed significantly with the addition of just 1% DMSO but continue to modestly improve with the addition of up to 5% DMSO to the PEDOT:PSS blend pre-deposition solution. The fact that the variations in the measured morphology are independent of whether the films were deposited by spin or ultrasonic spray casting methods emphasizes the crucial importance of the structure of the blend in the pre-deposition solution in determining the final thin film blend morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗