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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration (PCC)

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling will be used to determine each component’s sensitivities, costs, inputs, and outputs Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

A global approach of the representativity concept: Application on a high-conversion light water reactor MOX lattice case

The development of new types of reactor and the increase in the safety specifications and requirements induce an enhancement in both nuclear data knowledge and a better understanding of the neutronic properties of the new systems. This enhancement is made possible using ad hoc critical mock-up experiments. The main difficulty is to design these experiments in order to obtain the most valuable information. Its quantification is usually made by using representativity and transposition concepts. These theories enable to extract some information about a quantity of interest (an integral parameter) on a configuration, but generally a posteriori. This paper presents a more global approach of this theory, with the idea of optimizing the representativity of a new experiment, and its transposition a priori, based on a multiparametric approach. Using a quadratic sum, we show the possibility to define a global representativity which permits to take into account several quantities of interest at the same time. The maximization of this factor gives information about all quantities of interest. An optimization method of this value in relation to technological parameters (over-clad diameter, atom concentration) is illustrated on a high-conversion light water reactor MOX lattice case. This example tackles the problematic of plutonium experiment for the plutonium aging and a solution through the optimization of both the over-clad and the plutonium content. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Photon and Neutron Fluence-to-Dose Conversion Factors for External Radiation: A Comparison of the New ICRP DCFs with those Currently in Use at LANL - Paper 10

There is a set of quantities obtained from ICRP 74 (ex., effective dose, personal dose equivalent) used at the Los Alamos National Laboratory in assessing radiation generating facilities. An assessment typically is done either by measurements of a radiation field or calculations using radiation transport codes. Both measured and calculated values are related to basic physical quantities like particle fluence and absorbed dose. Radiological quantities that cannot be measured directly can be derived from physical measurements. The International Commission on Radiological Protection (ICRP) using radiation transport codes, appropriate mathematical models of a human body and different irradiation geometries, developed a set of dose conversion factors (DCFs) from measurable physical quantities. In this paper a review and comparison are made with the new DCFs proposed by ICRP in Publication 116 to those listed in Publications 74 which are currently used by the Los Alamos National Laboratory. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Electrospun Nanofiber Electrodes and Membrane for Energy Conversion and Storage

Electrospinning is one option for the hierarchal organization of polymers and nanoparticles into membrane and electrode components for high-performance energy storage and conversion devices. Electrospinning processes are cost competitive and simple to realize on a commercial scale, with process equipment readily available for large-scale manufacturing. This paper provides a brief overview on the use of nanofiber electrospinning for fabricating fuel cell and battery components.

25 ENERGY STORAGE↗
DOE OSTI2016

On the propagation and mode conversion of auroral medium frequency bursts

Abstract Auroral medium frequency (MF) bursts are broadband, impulsive radio emissions associated with local substorm onsets. MF bursts consist of a characteristic fine structure whereby the higher frequencies arrive 10–100 ms before the lower frequencies. LaBelle (2011a) proposed that MF bursts originate as Langmuir/Z mode waves on the topside of the ionosphere that mode‐convert to LO mode waves and propagate to ground level, with the fine structure resulting by propagation delays due to the topside ionospheric density profile. We investigate three aspects of this mechanism. First, full‐wave calculations are used to simulate the MF burst fine structure using a realistic ionospheric density profile. The delay between the highest and lowest frequencies is 21 ms. This value is smaller than the experimentally determined delays of ∼100 ms presented in Bunch and LaBelle (2009), but differences between the topside electron number density profile used in the simulations and the number density profile during disturbed conditions make comparisons only approximate. Second, the Landau damping of Langmuir/Z mode waves on the topside ionosphere is calculated, assuming the electron distribution function consists of a cold background population ( n e 0 ) and a warm secondary population ( n se ). The Landau damping is small when n se / n e 0 = 0.04% (consistent with Maggs and Lotko (1981)) but is significant when n se / n e 0 > 0.4%. Finally, full‐wave calculations are used to determine the mode conversion efficiency from Langmuir/Z mode waves to LO mode waves. These imply that waves would suffer an attenuation of wave energy density of approximately 5–10% if they are generated with their wave vectors in a narrow cone centered around the local magnetic field. Taken together, these calculations suggest that for small values of n se / n e 0 <0.4%, the mechanism proposed by LaBelle (2011a) is a plausible explanation for the origin of MF bursts.

Broughton, M. C.↗
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 OSTI2016

Band diagram and rate analysis of thin film spinel LiMn 2 O 4 formed by electrochemical conversion of ALD-grown MnO

Nanoscale spinel lithium manganese oxide is of interest as a high-rate cathode material for advanced battery technologies among other electrochemical applications. In this work, the synthesis of ultrathin films of spinel lithium manganese oxide (LiMn 2 O 4 ) between 20 and 200 nm in thickness by room-temperature electrochemical conversion of MnO grown by atomic layer deposition (ALD) is demonstrated. The charge storage properties of LiMn 2 O 4 thin films in electrolytes containing Li + , Na + , K + , and Mg 2+ are investigated. A unified electrochemical band-diagram (UEB) analysis of LiMn 2 O 4 informed by screened hybrid density functional theory calculations is also employed to expand on existing understanding of the underpinnings of charge storage and stability in LiMn 2 O 4 . It is shown that the incorporation of Li + or other cations into the host manganese dioxide spinel structure (λ-MnO 2 ) stabilizes electronic states from the conduction band which align with the known redox potentials of LiMn 2 O 4 . Furthermore, the cyclic voltammetry experiments demonstrate that up to 30% of the capacity of LiMn 2 O 4 arises from bulk electronic charge-switching which does not require compensating cation mass transport. As a result, the hybrid ALD-electrochemical synthesis, UEB analysis, and unique charge storage mechanism described here provide a fundamental framework to guide the development of future nanoscale electrode materials for ion-incorporation charge storage.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Improved Performance in FeF 2 Conversion Cathodes through Use of a Conductive 3D Scaffold and Al 2 O 3 ALD Coating

FeF 2 is considered a promising conversion compound for the positive electrode in lithium-ion batteries due to its high thermodynamic reduction potential (2.66 V vs Li/Li + ) and high theoretical specific capacity (571 mA h g -1 ). However, the sluggish reaction kinetics and rapid capacity decay caused by side reactions during cycling limit its practical application. Here, the fabrication of Ni-supported 3D Al 2 O 3 -coated FeF 2 electrodes is presented, and it is shown that these structured electrodes significantly overcome these limitations. The electrodes are prepared by iron electrodeposition on a Ni support, followed by a facile fluorination process and Al 2 O 3 coating by atomic layer deposition. The 3D FeF 2 electrode delivers an initial discharge capacity of 380 mA h g -1 at a current density of 200 mA g -1 at room temperature. The 3D scaffold improves the reaction kinetics and enables a high specific capacity by providing an efficient electron pathway to the insulating FeF 2 and short Li diffusion lengths. The Al 2 O 3 coating significantly improves the cycle life, probably by preventing side reactions through limiting direct electrode–electrolyte contact. The fabrication method presented here can also be applied for synthesis of other metal fluoride materials on different 3D conductive templates.

25 ENERGY STORAGE↗
DOE OSTI2022

Flexible CO 2 Sensor Architecture with Selective Nitrogen Functionalities by One‐Step Laser‐Induced Conversion of Versatile Organic Ink

Abstract Nitrogen‐containing carbons (NC) are a class of sustainable materials for selective CO 2 adsorption. A versatile concept is introduced to fabricate flexible NC‐based sensor architectures for room‐temperature sensing of CO 2 in a one‐step laser conversion of primary films cast from abundant precursors. By the unidirectional energy impact in conjunction with depth‐dependent attenuation of the laser beam, a layered sensor heterostructure with a porous transducer and active sensor layer is formed. Comprehensive microscopic and spectroscopic cross‐sectional analyses confirm the preservation of the high content of imidazolic nitrogen in the sensor. The performance is optimized in terms of material morphology, chemical composition, and surface chemistry to achieve a linear relative resistive response of up to Δ R / R 0 = −14.3% (10% of CO 2 ). Thermodynamic analysis yields Δ ads H values of −35.6 and 34.1 kJ·mol −1 for H 2 O and CO 2 , respectively. The sensor is operable even in humid environments (e.g., ∆ R / R 0,RH = 80% = 0.53%) and shows good performance upon strong mechanical deformation.

flexible gas sensors↗
DOE OSTI2025

Magnetic Switching in Monolayer 2D Diluted Magnetic Semiconductors via Spin‐to‐Spin Conversion

Abstract The integration of 2D van der Waals (vdW) magnets with topological insulators or heavy metals holds great potential for realizing next‐generation spintronic memory devices. However, achieving high‐efficiency spin–orbit torque (SOT) switching of monolayer vdW magnets at room temperature poses a significant challenge, particularly without an external magnetic field. Here, it is shown field‐free, deterministic, and nonvolatile SOT switching of perpendicular magnetization in the monolayer, diluted magnetic semiconductor (DMS), Fe‐doped MoS 2 (Fe:MoS 2 ) at up to 380 K with a current density of ≈7 × 10 4 A cm −2 . The in situ doping of Fe into monolayer MoS 2 via chemical vapor deposition and the geometry‐induced strain in the crystal break the rotational switching symmetry in Fe:MoS 2 , promoting field‐free SOT switching by generating out‐of‐plane spins via spin‐to‐spin conversion. An apparent anomalous Hall effect (AHE) loop shift at a zero in‐plane magnetic field verifies the existence of z spins in Fe:MoS 2 , inducing an antidamping‐like torque that facilitates field‐free SOT switching. This field‐free SOT application using a 2D ferromagnetic monolayer provides a new pathway for developing highly power‐efficient spintronic memory devices.

Chen, Siwei [Department of Mechanical Engineering ↗
DOE OSTI2016

Lead-free inverted planar formamidinium tin triiodide perovskite solar cells achieving power conversion efficiencies up to 6.22%

Efficient lead (Pb)-free inverted planar formamidinium tin triiodide (FASnI 3 ) perovskite solar cells (PVSCs) are demonstrated. Our FASnI 3 PVSCs achieved average power conversion efficiencies (PCEs) of 5.41% ± 0.46% and a maximum PCE of 6.22% under forward voltage scan. Here, the PVSCs exhibit small photocurrent–voltage hysteresis and high reproducibility. The champion cell shows a steady-state efficiency of ≈6.00% for over 100 s.

14 SOLAR ENERGY↗
DOE OSTI2017

Single Atomically Sharp Lateral Monolayer p-n Heterojunction Solar Cells with Extraordinarily High Power Conversion Efficiency

The recent development of 2D monolayer lateral semiconductor has created new paradigm to develop p-n heterojunctions. Albeit, the growth methods of these heterostructures typically result in alloy structures at the interface, limiting the development for high-efficiency photovoltaic (PV) devices. Here, the PV properties of sequentially grown alloy-free 2D monolayer WSe 2 -MoS 2 lateral p-n heterojunction are explores. The PV devices show an extraordinary power conversion efficiency of 2.56% under AM 1.5G illumination. The large surface active area enables the full exposure of the depletion region, leading to excellent omnidirectional light harvesting characteristic with only 5% reduction of efficiency at incident angles up to 75°. Modeling studies demonstrate the PV devices comply with typical principles, increasing the feasibility for further development. Furthermore, the appropriate electrode-spacing design can lead to environment-independent PV properties. As a result, these robust PV properties deriving from the atomically sharp lateral p-n interface can help develop the next-generation photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2018

Design of Hollow Nanostructures for Energy Storage, Conversion and Production

Abstract Hollow nanostructures have shown great promise for energy storage, conversion, and production technologies. Significant efforts have been devoted to the design and synthesis of hollow nanostructures with diverse compositional and geometric characteristics in the past decade. However, the correlation between their structure and energy‐related performance has not been reviewed thoroughly in the literature. Here, some representative examples of designing hollow nanostructure to effectively solve the problems of energy‐related technologies are highlighted, such as lithium‐ion batteries, lithium‐metal anodes, lithium–sulfur batteries, supercapacitors, dye‐sensitized solar cells, electrocatalysis, and photoelectrochemical cells. The great effect of structure engineering on the performance is discussed in depth, which will benefit the better design of hollow nanostructures to fulfill the requirements of specific applications and simultaneously enrich the diversity of the hollow nanostructure family. Finally, future directions of hollow nanostructure design to solve emerging challenges and further improve the performance of energy‐related technologies are also provided.

Wang, Jiangyan↗
DOE OSTI2022

Quasi‐2D Perovskite Crystalline Layers for Printable Direct Conversion X‐Ray Imaging

Abstract Polycrystalline perovskite film‐based X‐ray detector is an appealing technology for assembling large scale imager by printing methods. However, thick crystalline layer without trap and solvent residual is challenging to fabricate. Here, the authors report a solution method to produce high quality quasi‐2D perovskite crystalline layers and detectors that are suitable for X‐ray imaging. By introducing n ‐butylamine iodide into methylammonium lead iodide precursor and coating at elevated temperatures, compact and crystalline layers with exceptional uniformity are obtained on both rigid and flexible substrates. Photodiodes built with the quasi‐2D layers exhibit a low dark current and stable operation under constant electrical field over 96 h in dark, and over 15 h under X‐ray irradiation. The detector responds sensitively under X‐ray, delivering a high sensitivity of 1214 µC Gy air −1 cm −2 and a sensitivity gain is observed when operated under higher fields. Finally, high resolution images are demonstrated using a single pixel device that can resolve 80–200 µm features. This work paves the path for printable direct conversion X‐ray imager development.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Coordination Polymer Electrocatalysts Enable Efficient CO‐to‐Acetate Conversion

Abstract Upgrading carbon dioxide/monoxide to multi‐carbon C 2+ products using renewable electricity offers one route to more sustainable fuel and chemical production. One of the most appealing products is acetate, the profitable electrosynthesis of which demands a catalyst with higher efficiency. Here, a coordination polymer (CP) catalyst is reported that consists of Cu(I) and benzimidazole units linked via Cu(I)‐imidazole coordination bonds, which enables selective reduction of CO to acetate with a 61% Faradaic efficiency at −0.59 volts versus the reversible hydrogen electrode at a current density of 400 mA cm −2 in flow cells. The catalyst is integrated in a cation exchange membrane‐based membrane electrode assembly that enables stable acetate electrosynthesis for 190 h, while achieving direct collection of concentrated acetate (3.3 molar) from the cathodic liquid stream, an average single‐pass utilization of 50% toward CO‐to‐acetate conversion, and an average acetate full‐cell energy efficiency of 15% at a current density of 250 mA cm −2 .

Luo, Mingchuan↗
DOE OSTI2026

Powder‐to‐Film Conversion of Nickel Single‐Atom Catalysts into Binder‐Free and Resistant Electrodes

Although a few binder-free and self-supported single-atom electrodes have been reported, achieving mechanically robust, defect-engineered, and reproducible films that preserve atomic dispersion under electrochemical operation remains challenging. This work addresses this limitation by presenting a versatile and generalizable strategy to transform powders into standalone, defect-engineered thin films hosting atomically dispersed Ni centers within conductive 2D frameworks. The physicochemical and electronic properties of these materials are thoroughly characterized using a comprehensive set of spectroscopic and microscopic techniques and confirmed the homogeneous dispersion and monoatomic nature of the Ni centers (0.94 wt.%) on the electrode films. Electrochemical testing via cyclic voltammetry and electrochemical impedance spectroscopy under a range of experimental conditions revealed that integration of Ni single atoms markedly enhanced performance and stability compared to carbon nanotube-only electrodes, maintaining integrity after 15 h of continuous operation. This improvement is accompanied by a notable reduction in charge transfer resistance (30.50 Ω) and an increase in double-layer capacitance (295.45 µF). Post-electrochemical analyses corroborated the structural integrity and robustness of the electrodes. Overall, this work bridges atomically precise catalysis and device-level electrochemistry, opening a route toward reproducible and scalable single-atom electrodes for sensing and energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High‐Order Nonlinear Frequency Conversion in Transparent Conducting Oxide Thin Films

The study of conductive oxides has gained momentum within the photonics community due to their unique linear and nonlinear optical properties. Despite recent experiments reporting on high harmonic generation from thin films, the optical/electronic behavior of these compounds at the nanoscale is still not fully understood due to the lack of a suitable theoretical model. In the present work, aluminum zinc oxide is excited near its epsilon-near-zero crossing point using incident femtosecond pulses having peak power densities in the 1 TW cm −2 range. A relatively efficient frequency up-conversion including even and odd harmonics up to the seventh order is observed. A hydrodynamic-Maxwell theoretical approach is adopted, capable of simultaneously taking into account linear and nonlinear dispersions, nonlocal effects, surface, magnetic, and bulk nonlinearities in a spectral region that spans over two and a half octaves from the UV to the NIR region. The study enables a deeper understanding of the fundamental material parameters regulating optical nonlinearities, providing important insights to engineer this class of materials for applications in sensing, ultra-fast physics, and spectroscopy.

material modeling↗
DOE OSTI2016

Quaternary organic solar cells enhanced by cocrystalline squaraines with power conversion efficiencies >10%

The incorporation of multiple donors into the bulk-heterojunction layer of organic polymer solar cells (PSCs) has been demonstrated as a practical and elegant strategy to improve photovoltaics performance. However, it is challenging to successfully design and blend multiple donors, while minimizing unfavorable interactions (e.g., morphological traps, recombination centers, etc.). Here, a new Förster resonance energy transfer-based design is shown utilizing the synergistic nature of three light active donors (two small molecules and a high-performance donor–acceptor polymer) with a fullerene acceptor to create highly efficient quaternary PSCs with power conversion efficiencies (PCEs) of up to 10.7%. Within this quaternary architecture, it is revealed that the addition of small molecules in low concentrations broadens the absorption bandwidth, induces cocrystalline molecular conformations, and promotes rapid (picosecond) energy transfer processes. Finally, these results provide guidance for the design of multiple-donor systems using simple processing techniques to realize single-junction PSC designs with unprecedented PCEs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗