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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Charged Wellbore Casing Controlled Source Electromagnetics (CWC-CSEM) for Reservoir Imaging and Monitoring (Final report)

This project addresses the needs of the U.S. Department of Energy (DOE) to develop advanced monitoring technologies and protocols to track the fate of subsurface carbon dioxide (CO2) plumes for carbon storage. Specifically, the project seeks to develop and test a unique and novel system of technologies consisting of electromagnetic data acquisition, coupled multiphysics imaging, and reservoir model enhancement to understand the migration and long-term distribution of CO2 in the subsurface. The overarching objective is to develop an integrated approach for long term monitoring of carbon storage. The two main components of the project include the methodology development and the test of the method at a field site. The methodology component consists of 1) developing the field procedure and protocol for collecting time-lapse controlled-source electromagnetic (CSEM) data with source electric current injected into the subsurface through wellbore casings; 2) building of background 3D electrical conductivity utilizing multiple sources of data such as supplemental surface transient EM (TEM) surveys, well-logs, and seismic structural information, for enhancing CSEM signal from reservoir depths; and 3) coupled multiphysics simulations and inversion of CSEM data constrained by production data and by structural information from seismic imaging of the reservoir and overlying formations. The testing component used the field site of Bell Creek Oil Field, which served both as a field laboratory for the method development as well as a test site to evaluate the CSEM signal strengths and the methodology developed in this research project. We have accomplished all the proposed tasks and developed the methodology as planned. These include the procedure for time-lapse CSEM data acquisition, data processing techniques, integration with 3D conductivity model building, fast reservoir simulation for history matching using machine learning, and interpreting CSEM data with coupling to the reservoir modeling. Collectively, the outcome of these tasks form a coherent workflow that can be applied to monitor dedicated carbon storage in saline reservoirs. The testing component evaluated the applicability and limitations of the method, and concluded that the method would be ideal for monitoring dedicated carbon storage sites utilizing saline reservoirs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Atomic Gaussian type orbitals and their Fourier transforms via the Rayleigh expansion

Gaussian type orbitals (GTOs), which are one of the types of exponential type orbitals (ETOs), are used usually as basis functions in the multi-center atomic and molecular integrals to better understand physical and chemical properties of matter. In the Fourier transform method (FTM), basis functions have not simplicity to make mathematical operations, but their Fourier transforms are easier to use. In this work, with the help of FTM, Rayleigh expansion and some properties of unnormalized GTOs, we present new mathematical results for the Fourier transform of GTOs in terms of Laguerre polynomials, hypergeometric and Whittaker functions. Physical and analytical properties of GTOs are discussed and some numerical results have been given in a table. Finally, we compare our mathematical results with the other known literature results by using a computer program and details of evaluation are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Integration of Control Methods and Digital Twins for Advanced Nuclear Reactors

Advanced nuclear reactors offer a new set of features to energy generation, due to their ability to adapt to variable energy demand, operate autonomously, be deployed in rural locations and monitored remotely, afford compact size and lower power ratings, and rely on novel technologies to achieve safer operations. Thus, a requirement for the success of these reactors is the use of intelligent forms of control to track changing power demands, make autonomous decisions, and reduce the need for human involvement. Regulatory requirements pertaining to control of nuclear reactors could be met via historical means of control; however, these are not expected to enable the level of highly autonomous operations desired in advanced nuclear reactors. Historical control methods rely on both logical and high-performance (HP) control. These two types of control are usually used separately, with a human element being introduced whenever decisions are cascaded from one science to another. AI/ML control, on the other hand, can replace the human element in the current U.S. fleet of nuclear power plants (NPPs) by acting as a supervisory optimizer that understands the plant internal/external variables in order to make control decisions, and can easily handle non-linear and multi-input/multi out (MIMO) decisions—another requirement for advanced nuclear reactors that could be difficult to handle via logical and HP control. Because of the harsh operating environments produced in advanced reactors, resulting in the frequent failure of sensors and other types of equipment, and considering the lack of operating history for advanced nuclear reactors, control of advanced nuclear reactors would necessitate relying on a model that can track and adapt to the actual process (i.e., a digital twin). This digital twin can make approximations when knowledge and data are unavailable and would evolve as more knowledge is gained. The reactor control must also be risk-informed to account for the high-consequence nature of advanced reactors. This report introduces a high-level (i.e., not method- or process-specific) integration of the three different control and digital twinning methods able to meet the requirements for advanced nuclear reactors. These methods could be applied during both the operational and design stages of these reactors. The aim is to demonstrate how each method interfaces with and highlights enabling solutions necessitated by the unique features of advanced nuclear reactors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Pilot Scale Testing of Lignite Adsorption Capability and the Benefits for the Recovery of Rare Earth Elements from Dilute Leach Solutions

Naturally occurring organic materials containing humic acids show a strong affinity towards rare earth elements (REE) and other critical elements. Leaching experiments on lignite coal waste produced from construction sand production revealed that the contained REEs were associated with the organic matter. Furthermore, adsorption studies revealed that the lignite waste was capable of extracting REEs from a model solution and increased the REE content of the lignite waste by more than 100%. As such, this study aimed to utilize the lignite waste to adsorb REEs from pregnant leach solutions and acid mine drainage sources having low REE concentrations and subsequently leach the lignite material to produce pregnant leach solutions containing relatively high amounts of REEs, which benefits the performance and economic viability of downstream separation and purification processes. An integrated flowsheet was developed based on this concept and tested at a pilot scale. The pregnant leachate solution (PLS) was generated from a heap leach pad containing 2000 tons of Baker seam coarse refuse. The pilot scale circuit was comprised of aluminum precipitation, adsorption using the waste lignite, and rare earth-critical metal (RE-CM) precipitation stages in succession. The results indicated that the aluminum precipitation stage removed over 88% and 99% of the Al and Fe, respectively. The adsorption stage increased the REE content associated with the waste lignite from 457 ppm to 1065 ppm on a whole mass basis. Furthermore, the heavy REE (HREE) content in the feedstock increased by approximately 250%, which raised the percentage of HREE in the REE distribution by 19 absolute percentage points. In addition to the REEs, concentrations of other critical elements such as Mn, Ni, and Zn also improved by 75%, 37%, and 250%, respectively. Bench-scale tests revealed that increasing the solids concentration in the waste lignite and PLS mix from 1% to 20% by weight enhanced the adsorption efficiency from 32.0% to 99.5%, respectively. As such, a new flowsheet was proposed which provides significantly higher REE concentrations in the PLS that can be fed directly to solvent extraction and/or oxalic acid precipitation and, thereby, enhancing process efficiency and economics.

58 GEOSCIENCES↗
DOE OSTI2026

Technoeconomic analysis and life cycle assessment of purification processes for captured CO 2 streams

Captured carbon dioxide (CO 2 ) streams contain impurities that must be removed to meet specifications for safe transport, storage, and utilization. Among these impurities, oxygen poses challenges due to its high reactivity and potential to cause corrosion, motivating stringent purity limits below 10 ppmv. Building on recent experimental demonstrations of catalytic oxygen removal using hydrogen (H 2 ), carbon monoxide (CO), methanol (CH 3 OH), and methane (CH 4 ) as reducing agents, this study presents a technoeconomic (TEA) and life cycle assessment (LCA) of these four catalytic purification pathways. Process flowsheets were developed and simulated in Aspen Plus for CO 2 streams representative of both low-temperature and high-temperature capture processes, with integrated heat recovery and energy optimization. Results showed that total purification costs were dominated by feedstock procurement and electricity consumption. Among the studied reducing agents, the CH 4 -assisted route achieved the lowest purification cost and highest CO 2 recovery. Sensitivity analyses showed that the H 2 route became competitive at H 2 prices below $\$$0.56/kg to $\$$0.84/kg, depending on the CO 2 feed temperature conditions. In conclusion, environmental impacts were primarily driven by indirect CO 2 emissions from raw material production and utility consumption.

CO2 pipeline specifications↗
DOE OSTI2023

An integrated data management and informatics framework for continuous drug product manufacturing processes: A case study on two pilot plants

The pharmaceutical industry continuously looks for ways to improve its development and manufacturing efficiency. In recent years, such efforts have been driven by the transition from batch to continuous manufacturing and digitalization in process development. To facilitate this transition, integrated data management and informatics tools need to be developed and implemented within the framework of Industry 4.0 technology. Here, in this regard, the work aims to guide the data integration development of continuous pharmaceutical manufacturing processes under the Industry 4.0 framework, improving digital maturity and enabling the development of digital twins. This paper demonstrates two instances where a data integration framework has been successfully employed in academic continuous pharmaceutical manufacturing pilot plants. Details of the integration structure and information flows are comprehensively showcased. Approaches to mitigate concerns in incorporating complex data streams, including integrating multiple process analytical technology tools and legacy equipment, connecting cloud data and simulation models, and safeguarding cyber-physical security, are discussed. Critical challenges and opportunities for practical considerations are highlighted.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Chapter 14: Sustainable Biomass Conversion Process Assessment

Process intensification and integration for sustainable design play an essential role in addressing and alleviating severe sustainable development challenges. It is prudent to evaluate a process design in its early stage development to ensure the process can achieve sustainability goals. The primary goal of a sustainability evaluation is to assess the impact of systems on areas sought to be protected and maintained over time, such as human well-being and ecosystems (Schaubroeck, T. and Rugani, B. (2017). A revision of what life cycle sustainability assessment should entail: towards modeling the net impact on human well-being. Journal of Industrial Ecology 21 (6): 1464-1477). Parenthetically, sustainable process design to convert biomass to fuels and chemicals plays an integral part in the bioeconomy sustainability. It is recognized that the integration of sustainability in process design is core to the mission in developing renewable fuels and should be considered a necessary practice in biorefinery design. This study demonstrates the use of Gauging Reaction Effectiveness for ENvironmental Sustainability of Chemistries with a multi-Objective Process Evaluator (GREENSCOPE) as a tool to help track progress on process sustainability performance attributed to conversion improvement. With the incorporation of a wide range of indicators, GREENSCOPE captures the multi-dimensional aspect of the process design and operation. As opposed to conventional techno-economic analysis and life cycle assessment (in which the focuses are limited to economic and environmental aspects), GREENSCOPE enables the consideration of process intensification and integration for sustainable design. A high-octane gasoline production from woody biomass feedstock is used as a case study to demonstrate the approach.

biomass↗
DOE OSTI2023

Integrated Electrocoagulation, Ultrafiltration, Membrane Distillation, and Crystallization for Treating Produced Water

Produced water (PW) generated from hydraulic fracturing operations was treated using an integrated electrocoagulation, ultrafiltration, membrane distillation, and crystallization process (EC UF MDC). The aim was to determine the viability of this integrated process for maximizing water recovery. The results obtained here indicate that optimizing the various unit operations could lead to increased recovery of PW. Membrane fouling limits all membrane separation processes. A pretreatment step to suppress fouling is essential. Here, removal of total suspended solids (TSS) and total organic carbon (TOC) was achieved by electrocoagulation (EC) followed by ultrafiltration (UF). The hydrophobic membrane used in membrane distillation may be fouled by dissolved organic compounds. Reducing membrane fouling is essential to increase the long-term durability of the membrane distillation (MD) system. In addition, combining membrane distillation with crystallization (MDC) can help reduce scale formation. By inducing crystallization in the feed tank, scale formation on the MD membrane was suppressed. The integrated EC UF MDC process can impact Water Resources/Oil & Gas Companies. Conservation of surface and groundwater is possible by treating and reusing PW. Additionally, treating PW reduces the amount of PW disposed in Class II disposal wells and promotes more environmentally sustainable operations.

42 ENGINEERING↗
DOE OSTI2019

Defect-Mediated Anisotropic Lattice Expansion in Ceramics as Evidence for Nonthermal Coupling between Electromagnetic Fields and Matter

Electromagnetic (EM) fields can trigger a range of surprising responses in materials. Microwave radiation (MWR), a type of EM field in the frequency range of 0.3–300GHz, can lower the synthesis temperature required for ceramics such as TiO2 and induces mixed amorphous–crystalline phase compositions. To better understand the effects of MWR on matter, structural changes during microwave heating and MWR-assisted synthesis using in situ synchrotron X-ray diffraction are studied. Anisotropic expansion–contraction of lattice parameters under microwave-radiation is observed, which contradicts the results from conventional thermal heating. When as-received TiO2 powders are heated with MWR, an instantaneous decrease in the intensities of diffraction peaks indicates decrystallization/amorphization. High resolution electron microscopy supports these observations. Raman spectroscopy and X-ray photoemission spectroscopy indicate increased defect-generation under microwave exposure. Molecular dynamics simulations on the anatase phase of TiO2 suggests that introducing an oxygen vacancy can lead to the formation of an interstitial–vacancy pair resulting in anisotropic expansion–contraction of the lattice. These unique responses of ceramics under externally applied fields provide direct evidence for nonthermal coupling between EM fields and matter. Understanding such nonthermal, field-driven processes has implications in engineering low-temperature processes for integrating ceramics with polymers for flexible electronics, energy harnessing, and storage applications.

anisotropic lattice expansion↗
DOE OSTI2026

Electrode and Microstructure Dependence of Oxygen Diffusion in Ferroelectric Hafnium Zirconium Oxide Thin Films

Hafnia-based ferroelectrics hold promise to reduce energy demand for computing by enabling compute-in-memory and as non-volatile memories. The ferroelectric phase in this material system is, in part, stabilized by oxygen vacancies. While oxygen vacancies may be a necessity for phase stability, they limit device endurance through diffusion and accumulation into conducting channels. Herein, it is shown that oxygen diffusion is spatially variable within individual grains of ferroelectric hafnium zirconium oxide (HZO). Using 18 O tracers and finite difference modeling, it is shown that grain boundaries and regions near electrode interfaces allow for relatively rapid oxygen diffusion, with values as much as 10 4 larger than the grain cores. Further, the selection of electrode material affects the diffusion coefficients across all microstructural regions. HZO films in contact with TiN electrodes result in more oxygen-deficient HZO films and higher oxygen diffusion coefficients. Tungsten electrodes result in fewer vacancies and lower diffusion coefficients. Diffusion activation energy differences between the HZO with the two electrodes is reconciled by differing populations of charged and uncharged oxygen vacancies. This insight into the local vacancy populations and diffusion pathways provides a platform for designing hafnia-based films, deposition processes, and integration strategies to reduce vacancy gradients and improve performance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Stable Formamidinium-Based Perovskite Solar Cells via In Situ Grain Encapsulation

Formamidinium (FA)-based lead iodide perovskites have emerged as the most promising light-absorber materials in the prevailing perovskite solar cells (PSCs). However, they suffer from the phase-instability issue in the ambient atmosphere, which is holding back the realization of the full potential of FA-based PSCs in the context of high efficiency and stability. Herein, the tetraethylorthosilicate hydrolysis process is integrated with the solution crystallization of FA-based perovskites, forming a new film structure with individual perovskite grains encapsulated by amorphous silica layers that are in situ formed at the nanoscale. The silica not only protects perovskite grains from the degradation but also enhances the charge-carrier dynamics of perovskite films. The underlying mechanism is discussed using a joint experiment-theory approach. Through this in situ grain encapsulation method, PSCs show an efficiency close to 20% with an impressive 97% retention after 1000-h storage under ambient conditions.

14 SOLAR ENERGY↗
DOE OSTI2023

High‐Loaded Electrode Filaments for Additive Manufacturing of Structural Batteries

Abstract The unique capability of 3D printing to create geometric complex structures presents a promising avenue for producing 3D electrodes aimed at enhancing power and energy densities within constrained spaces, which is challenging to achieve through traditional slurry casting methods. However, despite advancements over the years, 3D‐printed batteries have faced limitations in terms of mechanical robustness to endure significant volume changes during cycling and restricted electrochemical performance due to the lack of adequate electrode feedstock development or post‐processing treatments. Herein, a high‐loaded electrode filament with ≈65 wt.% fillers, enabling the fabrication of structural electrodes with improved electrochemical performance and superior mechanical properties, is developed. Through a combination of 3D printing and post‐processing techniques, interdigitated structures with high areal‐loading density, resulting in a full cell with an enhanced areal capacity of ≈12.28 mAh cm −2 at ≈0.92 mA cm −2 is fabricated. Moreover, the structural batteries, treated through the carbonizing process, are integrated by the carbon coating generated during carbonization, exhibiting remarkable compressive properties (with a modulus of 18.5 MPa and a strength of 1.09 MPa). Overall, the findings demonstrate the promising potential of 3D printed batteries for practical applications, while showcasing the scalability and design flexibility offered by 3D printing technology.

Chemistry↗
DOE OSTI2023

Manufacturing Water‐Based Low‐Tortuosity Electrodes for Fast‐Charge through Pattern Integrated Stamping

Achieving high energy density and fast charging of lithium‐ion batteries can accelerate the promotion of electric vehicles. However, the increased mass loading causes poor charge transfer, impedes the electrochemical reaction kinetics, and limits the battery charging rate. Herein, this work demonstrated a novel pattern integrated stamping process for creating channels in the electrode, which benefits ion transport and increases the rate performance of the electrode. Meanwhile, the pressure applied during the stamping process improved the contact between electrode and current collector and also enhanced the mechanical stability of the electrode. Compared to the conventional bar‐coated electrode with the same thickness of 155 μm (delivered a discharge capacity of 16 mAh g −1 at the rate of 3 C), the stamped low‐tortuosity LiFePO 4 electrode delivered 101 mAh g −1 capacity. Additionally, water was employed as a solvent in this study. Owing to its eco‐friendliness, high scalability, and minimal waste generation, this novel stamping technique inspire a new method for the industrial‐level efficient roll to roll fabrication of fast‐charge electrodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Imaging the Future Threats of the Sand Dunes Along the Northwestern Coast of Nile Delta Using SAR

Although the Sand dunes screen the coastal cities from the sand dunes hazards and their infrastructures from rising sea levels and storms, they might threaten and hide the surrounding developmental projects. Thus, imaging these coastal dunes' internal anatomy and dynamics are crucial to protect the environment. In this study, the Optical and Synthetic Aperture Radar (SAR) images were processed and integrated with field observations and surveys to extract information about the past, current, and future behavior of coastal dunes in the Nile Delta-Northwest sector. A conventional change detection method using the supervised Landsat-8 images for the years 2015 and 2017 were generated to show a rapid change in the sand dune cover, where the high-resolution images of Google Earth were used to digitize the dune crests and measure its encroachment rate, which has been reached about 4 m/year with the NW–SE direction. The full-polarimetric ALOS/PALSAR-2 images from the years 2015 and 2017 show very low coherence for the sand dunes, which means these dunes are dynamic, where the changes in both power and phase imbalances of different dune fields during the investigated years (2015 and 2017) show high differences in values, which reached 40 dB and 0.06°, respectively. Finally, the extracted radar facies from the field survey show two successive groups of coastal sand dunes show a decline in the heavy minerals content to a level that might threaten the properties at the shoreline due to sea level rise and wave storms if mitigation actions are not taken place soon.

Ramadan, Rabab↗
DOE OSTI2024

Transverse polarization measurement of Λ hyperons in pNe collisions at $\sqrt{{\textrm{s}}_{\textrm{NN}}}$ = 68.4 GeV with the LHCb detector

A measurement of the transverse polarization of the Λ and $\bar{Λ}$ hyperons in p Ne fixed-target collisions at $\sqrt{{\textrm{s}}_{\textrm{NN}}}$ = 68.4 GeV is presented using data collected by the LHCb detector. The polarization is studied using the decay Λ → p $π$ − together with its charge conjugated process, the integrated values measured are $P_Λ = 0.029 ± 0.019$ (stat) $±$ $0.012$ (syst), $P_{\bar{Λ}} = 0.003 ± 0.023$ (stat) $±$ $0.014$ (syst). Furthermore, the results are shown as a function of the Feynman x variable, transverse momentum, pseudorapidity and rapidity of the hyperons, and are compared with previous measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Emerging Technologies for Decarbonizing Silicon Production

Abstract Silicon (Si) is an important material for alloying, solar photovoltaics, and electronics. However, current methods of producing silicon require energy consumption of around 11–13 kWh/kg Si and direct carbon emissions are 4.7–5 tons CO 2 per ton Si which conflicts with global efforts to limit climate change. In this work, we discuss several promising methods for reducing or eliminating carbon emissions from the silicon production process. Such methods include using biocarbon, integrating the current process with carbon capture and utilization/storage (CCU/CCS), metallothermic reduction, hydrogen reduction, and molten salt electrolysis. We present the positive aspects and challenges of each approach. Biocarbon coupled with CCU/CCS is the most industrially mature technology and can be carbon–neutral or -negative but is not carbon-free. Hydrogen directly reducing silicon dioxide is not thermodynamically favorable, but it may be viable to use hydrogen in conjunction with other processes to reduce emissions. Metallothermic and electrochemical methods of production are promising and have the potential to create high-purity silicon with no reduction-related carbon emissions but have only been demonstrated at lab scale. Economic viability will likely be the next determining factor for which technologies are more widely researched and implemented. Graphical Abstract

08 HYDROGEN↗
DOE OSTI2022

Network Optimization of the Electrosynthesis of Chemicals from CO2

Carbon dioxide electroreduction (ECO2R) is gaining attention due to its capacity to mitigate CO2 emissions while using electricity that would otherwise be curtailed. Its foreseeable industrial implementation requires of holistic methods to assess the technological and economic performance of ECO2R processes and integrate them in current chemical supply chains and power systems. Here, we combine techno-economic assessment and mathematical programming to find the optimal paths to electroreduce CO2 into valuable chemicals under variable electricity prices. The proposed approach is tested with a case study addressing the CO2 capture from flue gas or direct air and its electricity-powered reduction into carbon monoxide, formic acid or multi-carbon compounds. The results obtained demonstrate the ability of the framework to build ECO2R networks and provide operation profiles that respond to fluctuating electricity prices.

carbon dioxide↗