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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Artificial Intelligence for Conjugated Polymers

Conjugated polymers have garnered significant attention due to their diverse applications in electronics, photonics, and energy storage. However, realizing their full potential poses a formidable challenge, as their design has historically relied on iterative adjustments and continuous inspiration from researchers. Traditional methods often struggle to efficiently navigate their vast chemical landscape. In this work, the application of artificial intelligence (AI), specifically machine learning (ML), needs to be discussed in the realm of conjugated polymers. Our paper emphasizes the importance of understanding the structure–property relationships of these polymers and how ML can facilitate property prediction and inverse-design. We delve into various chemical fingerprints, structural descriptors, and ML algorithms, showcasing their utility across a spectrum of applications, including simulations, glass transition temperature determination, photovoltaics, reorganization energy for charge transport, photocatalysts, and sensors. Finally, we give some outlooks in this filed and propose unexplored areas within the field that hold the potential to benefit from ML techniques.

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

An autonomous robot for shell and tube heat exchanger inspection

Shell and tube heat exchangers (STHEs) are critical to energy conversion efficiency of power plants. Eddy current examination is a way to evaluate working conditions of these tubes. However, the current testing apparatus requires human to manually insert an eddy current testing (ECT) probe into and extract it out of individual tubes, and meanwhile monitor measurement results for diagnosis. It is a time-consuming and labor-intensive procedure even for an experienced technician. To tackle this challenge, in this study, we developed a robot enabled ECT system for autonomous inspection of STHEs. The robotic platform employs Mecanum wheeled chassis for high mobility, machine vision to locate tube bundle and tube inlets, a rotational Cartesian mechanism to operate at planes with all possible inclinations, and a task-specific mechanism for ECT probe delivery. Machine vision locates tube bundle and tube inlets by an April tag detection algorithm and a Circle Hough Transform algorithm, respectively. Assisted by a guiding cone, the ECT probe is continuously fed into the tubes with a fill factor of 0.819. In conclusion, during this process, the eddy current data are automatically collected and real-time analyzed by convolutional neural networks, showing accuracy of nearly 100% for identifying defective and nondefective tubes and 85% for four types of defective tubes and nondefective tubes.

42 ENGINEERING↗
DOE OSTI2017

Geodetic imaging of thermal deformation in geothermal reservoirs - production, depletion and fault reactivation

Here, we investigate thermally induced surface deformation in geothermal systems. To define source mechanisms at depth, we assess the mechanical process of subsurface deformation by assuming a spherically cooled fractured reservoir in an infinite medium and derive relations that define magnitudes of thermal contraction, stress change and permeability evolution. The magnitude of thermal deformation in typical geothermal system is larger than anticipated and suggests two different modalities of surface subsidence – thermal contraction and fault reactivation. Here, surface deformation (vertical displacement, surface tilt and horizontal strain) induced by the two different modalities are assessed with Mogi (contraction) and Okada (slip) models and compared with instrumental sensitivity of high precision surface geodetic tools. Here, we show that 1 year of geothermal operation at 10 MW with a power plant conversion efficiency of 12% can yield ~ 3.0 × 10 4 m 3 of subsurface volume change. For a reservoir at 2000 m depth, this induces ~ 1.7 mm of vertical surface displacement, ~ 800 nano-radians of surface tilt and ~ 900 nano-strains of surface strain. This result implies that typically observed magnitudes of surface subsidence (order of cm/year) are naturally expected in massive (100 MW scale) geothermal operations and observed surface subsidence may largely be the result of thermal contraction. Conversely, thermal unloading can trigger fault reactivation. Analysis with an Okada slip model shows these shear offsets on pre-existing faults can also result in surface deformations of considerable magnitude. Our analysis of field operational data from various geothermal projects suggests that both thermal contraction and slow fault reactivation may contribute to the observed large surface deformation. Comparison of predicted deformation with instrumental sensitivity of high precision surface tools confirms that geodetic signals, especially tilt and strain, are indeed sufficiently large to describe reservoir evolution and to potentially deconvolve reservoir parameters of interest, such as permeability.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Technoeconomic and Life Cycle Analysis of Synthetic Methanol Production from Hydrogen and Industrial Byproduct CO 2

Here CO 2 capture and utilization provides an alternative pathway for low-carbon hydrocarbon production. Given the ample supply of high-purity CO 2 emitted from ethanol and ammonia plants, this study conducted technoeconomic analysis and environmental life cycle analysis of several systems: integrated methanol-ethanol coproduction, integrated methanol-ammonia coproduction, and stand-alone methanol production systems, using CO 2 feedstock from ethanol plants, ammonia plants, and general market CO 2 supply. The cradle-to-grave greenhouse gas emissions of methanol produced from the stand-alone methanol, integrated methanol-ethanol, and integrated methanol-ammonia systems are 13.6, 37.9, and 84.6 g CO 2 -equiv/MJ, respectively, compared to 91.5 g CO 2 -equiv/MJ of conventional methanol produced from natural gas. The minimum fuel selling price (MFSP) of methanol ($\$0.61-0.64$/kg) is 61-68% higher than the average market methanol price of $\$0.38$/kg, when using a Department of Energy target renewable hydrogen production price of $\$2.0$/kg. The methanol price increases to $\$1.24-1.28$/kg when the hydrogen price is $\$5.0$/kg. Without CO 2 abatement credits, the H 2 price needs to be within $\$0.77-0.95$/kg for the MFSP of methanol to equal the average methanol market price. With a CO 2 credit of $\$35$/MT according to tax credit per metric ton of CO 2 captured and used, the methanol price is reduced to $\$0.56-0.59$/kg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions

Head-to-head (HH) bithiophenes are typically avoided in polymer semiconductors since they engender undesirable steric repulsions, leading to a twisted backbone. While introducing electron-donating alkoxy chains can lead to intramolecular noncovalent S···O interactions, this comes at the cost of elevating the HOMOs and compromising polymer solar cell (PSC) performance. To address the limitation, a novel HH bithiophene featuring an electron-withdrawing ester functionality, 3-alkoxycarbonyl-3'-alkoxy-2,2'-bithiophene (TETOR), is synthesized. Single crystal diffraction reveals a planar TETOR conformation (versus highly twisted diester bithiophene), showing distinctive advantages of incorporating alkoxy on promoting backbone planarity. Compared to first-generation 3-alkyl-3'-alkoxy-2,2'-bithiophene (TRTOR), TETOR contains an additional planarizing (thienyl)S···O(carbonyl) interaction. Consequently, TETOR-based polymer (TffBT-TETOR) has greatly lower-lying FMOs, stronger aggregation, closer π-stacking, and better miscibility with fullerenes versus the TRTOR-based counterpart (TffBT-TRTOR). These characteristics are attributed to the additional S···O interaction and electron-withdrawing ester substituent, which enhances backbone planarity, charge transport, and PSC performance. Thus, TffBT-TETOR-based PSCs exhibit an increased PCE of 10.08%, a larger V oc of 0.76 V, and a higher J sc of 18.30 mA cm –2 than the TffBT-TRTOR-based PSCs. These results demonstrate that optimizing intramolecular noncovalent S···O interactions by incorporating electron-withdrawing ester groups is a powerful strategy for materials invention in organic electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Sequential Cascade Electrocatalytic Conversion of Carbon Dioxide to C–C Coupled Products

Cascade catalytic processes perform multistep chemical transformations without isolating the intermediates. Here, we demonstrate a sequential cascade pathway to convert CO 2 to C 2+ hydrocarbons and oxygenates in a two-step electrocatalytic process using CO as the intermediate. CO 2 to CO conversion is performed by using Ag, and further conversion of CO to C-C coupled products is performed with Cu. Temporal separation between the two reaction steps is accomplished by situating the Ag electrode upstream of the Cu electrode in a continuous flow reactor. Convection-diffusion simulations and experimental evaluation of the electrodes individually are performed to identify optimal conditions. With the upstream Ag electrode poised at -1 V versus reversible hydrogen electrode in a flow of CO 2 -saturated water in aqueous carbonate buffer, over 80% of the CO can be converted on the downstream Cu electrode. When the Ag electrode is on, a supersaturation of CO is achieved near the Cu electrode, which leads to a relative increase in the formation rate of C 2 and C 3 oxygenates as compared to ethylene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Energy Selects

In this work, we present a few key highlights from our editorial advisory board members. They discuss three articles published recently in ACS Energy Letters. These articles discuss major advances in designing advanced energy storage systems and perovskite photovoltaic modules. The importance of designing solid electrolytes and efforts to overcome the challenges in aqueous Zn batteries are also presented.

25 ENERGY STORAGE↗
DOE OSTI2018

Compliant and stretchable thermoelectric coils for energy harvesting in miniature flexible devices

With accelerating trends in miniaturization of semiconductor devices, techniques for energy harvesting become increasingly important, especially in wearable technologies and sensors for the internet of things. Although thermoelectric systems have many attractive attributes in this context, maintaining large temperature differences across the device terminals and achieving low–thermal impedance interfaces to the surrounding environment become increasingly difficult to achieve as the characteristic dimensions decrease. Here, we propose and demonstrate an architectural solution to this problem, where thin-film active materials integrate into compliant, open three-dimensional (3D) forms. This approach not only enables efficient thermal impedance matching but also multiplies the heat flow through the harvester, thereby increasing the efficiencies for power conversion. Interconnected arrays of 3D thermoelectric coils built using microscale ribbons of monocrystalline silicon as the active material demonstrate these concepts. Quantitative measurements and simulations establish the basic operating principles and the key design features. The results suggest a scalable strategy for deploying hard thermoelectric thin-film materials in harvesters that can integrate effectively with soft materials systems, including those of the human body.

42 ENGINEERING↗
NASA NTRS1972

Preliminary design of reactor power systems for the manned space base.

The results of design integration studies of uranium-zirconium hydride (UZr-Hx) reactor power systems for the NASA space base study program are presented. The power conversion systems investigated include the Brayton cycle, the organic Rankine cycle, the SNAP-8 mercury Rankine cycle, and thermoelectric (PbTe). The proposed space base has a 10-year life and requires 100 kWe of power. Two 50-kWe power systems with a nominal replacement life of 5 years are utilized. Parametric design data such as life, weight, radiator area, reactor outlet-temperature, reactor thermal power, and power conversion system efficiency are presented and used for the design and integration of the system with the space base.

Mckhann, G. G.↗
NASA NTRS1981

Nickel-doped silicon for solar cells

Large grain boundaries in polycrystals act as gettering centers for nickel precipitates, improving cell performance. Effects are described in report. Data on open-circuit voltage, short-circuit current, maximum power, and conversion efficiency for illuminated cells are compared with values for undoped cells. Dark forward current versus voltage is also measured for cell types.

Salama, A. M.↗
NASA NTRS1990

The theory of an auto-resonant field emission cathode relativistic electron accelerator for high efficiency microwave to direct current power conversion

A novel method of microwave power conversion to direct current is discussed that relies on a modification of well known resonant linear relativistic electron accelerator techniques. An analysis is presented that shows how, by establishing a 'slow' electromagnetic field in a waveguide, electrons liberated from an array of field emission cathodes, are resonantly accelerated to several times their rest energy, thus establishing an electric current over a large potential difference. Such an approach is not limited to the relatively low frequencies that characterize the operation of rectennas, and can, with appropriate waveguide and slow wave structure design, be employed in the 300 to 600 GHz range where much smaller transmitting and receiving antennas are needed.

Manning, Robert M.↗
NASA NTRS2014

Lightweight, Efficient Power Converters for Advanced Turboelectric Aircraft Propulsion Systems

NASA is investigating advanced turboelectric aircraft propulsion systems that use superconducting motors to drive multiple distributed turbofans. Conventional electric motors are too large and heavy to be practical for this application; therefore, superconducting motors are required. In order to improve aircraft maneuverability, variable-speed power converters are required to throttle power to the turbofans. The low operating temperature and the need for lightweight components that place a minimum of additional heat load on the refrigeration system open the possibility of incorporating extremely efficient cryogenic power conversion technology. This Phase II project is developing critical components required to meet these goals.

Hennessy, Michael J.↗
NASA NTRS2015

NASA Glenn Research Center Support of the Advanced Stirling Radioisotope Generator Project

A high-efficiency radioisotope power system was being developed for long-duration NASA space science missions. The U.S. Department of Energy (DOE) managed a flight contract with Lockheed Martin Space Systems Company to build Advanced Stirling Radioisotope Generators (ASRGs), with support from NASA Glenn Research Center. DOE initiated termination of that contract in late 2013, primarily due to budget constraints. Sunpower, Inc., held two parallel contracts to produce Advanced Stirling Convertors (ASCs), one with Lockheed Martin to produce ASC-F flight units, and one with Glenn for the production of ASC-E3 engineering unit "pathfinders" that are built to the flight design. In support of those contracts, Glenn provided testing, materials expertise, Government-furnished equipment, inspection capabilities, and related data products to Lockheed Martin and Sunpower. The technical support included material evaluations, component tests, convertor characterization, and technology transfer. Material evaluations and component tests were performed on various ASC components in order to assess potential life-limiting mechanisms and provide data for reliability models. Convertor level tests were conducted to characterize performance under operating conditions that are representative of various mission conditions. Despite termination of the ASRG flight development contract, NASA continues to recognize the importance of high-efficiency ASC power conversion for Radioisotope Power Systems (RPS) and continues investment in the technology, including the continuation of the ASC-E3 contract. This paper describes key Government support for the ASRG project and future tests to be used to provide data for ongoing reliability assessments.

Technology Transfer↗