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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Lithium nitrate: A double-edged sword in the rechargeable lithium-sulfur cell

Lithium nitrate (LiNO 3 ) has been the most studied electrolyte additive in lithium-sulfur (Li-S) cells, due to its known function of suppressing the shuttle effect in Li-S cells, which provides a significant increase in the cell's coulombic efficiency and cycling stability. Previous studies indicated that LiNO 3 participated in the formation of a passive layer on the lithium electrode and thus suppressed the redox shuttle of the dissolved polysulfides. However, the effects of the LiNO 3 on the positive electrode materials have rarely been investigated. By combining scanning electron microscopy, element-selective X-ray absorption spectroscopy, and electrochemical characterizations, we performed a comprehensive study of how the LiNO 3 altered the properties of the sulfur electrode/electrolyte interface in Li-S cells and thus influenced the cell performance. We found that LiNO 3 is a double-edged sword in the Li-S cell: on one hand, it increased the consumption of the active sulfur; on the other hand, it promoted the survival of the carbon matrix constituent in the sulfur electrode. These two competitive effects indicated that a proper moderate concentration of LiNO 3 is required to achieve an optimized cell performance.

25 ENERGY STORAGE↗
DOE OSTI2015

Hydrogen Selective Exfoliated Zeolite Membranes

The objective of this project was to develop and evaluate an innovative membrane technology at process conditions that would be representative of Integrated Gasification Combined Cycle (IGCC) advanced power generation with pre-combustion capture of carbon dioxide (CO 2 ). This research focused on hydrogen (H 2 )-selective zeolite membranes that could be utilized to separate conditioned syngas into H 2 -rich and CO 2 -rich components. Both experiments and process design and optimization calculations were performed to evaluate the concept of ultra-thin membranes made from zeolites nanosheets. In this work, efforts in the laboratory were made to tackle two fundamental challenges in application of zeolite membranes in harsh industrial environments, namely, membrane thickness and membrane stability. Conventional zeolite membranes have thicknesses in the micron range, limiting their performance. In this research, we developed a method for fabrication of ultimately thin zeolite membranes based on zeolite nanosheets. A range of layered zeolites (MWW, RWR, NSI structure types) suitable for hydrogen separation was successfully exfoliated to their constituent nanosheets. Further, membranes were made from one of these zeolites, MWW, to demonstrate the potential of this group of materials. Moreover, long-term steam stability of these zeolites (up to 6 months) was investigated in high concentrations of steam (35 mol% and 95 mole%), high pressure (10 barg), and high temperatures (350 °C and 600 °C) relevant to conditions of water-gas-shift and steam methane reforming reactions. It was found that certain nanosheets are stable, and that stability depends on the concentration of structural defects. Additionally, models that represent a water-gas-shift (WGS) membrane reactor equipped with the zeolite membrane were developed for systems studies. These studies had the aim of analyzing the effect of the membrane reactor integration into IGCC plants in terms of performance and economic aspects of the plants. Specifically, simulation and design optimization studies were performed using the developed stand-alone membrane reactor models to identify the membrane selectivity and permeance characteristics necessary to achieve desired targets of CO 2 capture and H 2 recovery, as well as guide the selection of the optimal reactor design that minimizes the membrane cost as a function of its surface area required. The isothermal membrane reactor model was also integrated into IGCC system models using both the MATLAB and Aspen software platforms and techno-economic analyses of the integrated plants have been carried out to evaluate the feasibility of replacing current technologies for pre-combustion capture by the proposed novel approach in terms of satisfying stream constraints and achieving the DOE target goal of 90% CO 2 capture. The results of the performed analyses based on present value of annuity calculations showed break even costs for the membrane reactor within the feasible range for membrane fabrication. However, the predicted membrane performance used in these simulations exceeded the performance achieved experimentally. Therefore, further work is required to improve membrane performance.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Design and Analysis of Short Period 2G-HTS Undulators

Recent advancements in second-generation high-temperature superconducting (2G-HTS) materials have opened new possibilities for superconducting undulator (SCU) technology, particularly in achieving shorter periods and higher magnetic fields. Here, this paper presents the design and analysis of a short-period, as small as 10 mm, 2G-HTS undulator, focusing on magnetic performance, mechanical force minimization, and quench protection. A force-balanced coil pack design is introduced to significantly reduce mechanical stresses on the conductors, eliminating the need for heavy support structures. Rapid prototyping techniques such as3D printing is employed to refine the design for scalability and manufacturability. Correction schemes for end-field effects are developed using a combination of 2G-HTS tapes and NbTi conductors to optimize field integrals. Simulation results demonstrated that optimized magnetic performance and enhanced mechanical stability, positioning 2G-HTS undulators as promising candidates for storage ring and free-electron based light sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

HALOS (Heliostat Aimpoint and Layout Optimization Software) [SWR-21-41]

Heliostat Aimpoint and Layout Optimization Software (HALOS) is an open-source software package that allows users to explore solar field layout optimization, aimpoint strategy optimization, and performance characterization of concentrating solar power tower plants. Users interface with the tool through python, and results are reported in time series tables, plots, runtime logs, and flat-file outputs. Users choose from a list of variables such as tower height, receiver capacity, flux limits, design-point irradiance, etc., and specify information about the system using a small collection of flat files. The software can then optimize the specified variables (e.g., aimpoints for each heliostat) to maximize the thermal energy delivered to the receiver while adhering to flux limits. HALOS is implemented to be flexible with respect to flux characterization methods, but includes a direct connection to NREL's SolarPILOT™ software via its python API so that users can utilize high-fidelity flux simulation methods that have already been developed.

Zolan, Alexander↗
DOE OSTI2022

Radioiodine sorbent selection criteria

Methods for preventing radioiodine from entering the environment are needed in processes related to nuclear energy and medical isotope production. The development and performance of many different types of sorbents to capture iodine have been reported on for decades; however, there is yet to be a concise overview on the important parameters that should be considered when selecting a material for chemically capturing radioiodine. This paper summarizes several criteria that should be considered when selecting candidate sorbents for implementation into real-world systems. The list of selection criteria discussed are 1) optimal capture performance, 2) kinetics of adsorption, 3) performance under relevant process conditions, 4) properties of the substrate that supports the getter, and 5) environmental stability and disposition pathways for iodine-loaded materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2014

Enhanced performance of solar cells with optimized surface recombination and efficient photon capturing via anisotropic-etching of black silicon

We report an enhanced conversion efficiency of femtosecond-laser treated silicon solar cells by surface modification of anisotropic-etching. The etching improves minority carrier lifetime inside modified black silicon area substantially; moreover, after the etching, an inverted pyramids/upright pyramids mixed texture surface is obtained, which shows better photon capturing capability than that of conventional pyramid texture. Combing of these two merits, the reformed solar cells show higher conversion efficiency than that of conventional pyramid textured cells. This work presents a way for fabricating high performance silicon solar cells, which can be easily applied to mass-production.

36 MATERIALS SCIENCE↗
DOE OSTI2016

TU-H-BRC-09: Validation of a Novel Therapeutic X-Ray Array Source and Collimation System

Purpose: We have experimentally characterized and simulated the dosimetric properties and spatial fidelity of a novel X-ray array source and collimation system called SPHINX that has the potential to generate complex intensity modulated X-ray beams by varying the electron beam intensity only, and without any moving parts like in multi-leaf collimators. Methods: We investigated the spatial fidelity and the X-ray performances of a SPHINX prototype in tungsten, using a Cyber Knife and the experimental high-energy electron beam line at XTA at SLAC National Laboratory. Dose distributions were recorded with gafchromic films, placed at the distal end of SPHINX and at several depths in a solid water phantom. The geometry of SPHINX and of the experimental set-ups was also modeled in Monte Carlo (MC) simulations with the FLUKA code, used to reproduce the experimental results and, after validation, to predict and optimize the performance and design of the SPHINX. Results: The results indicate significant particle leakage through the channels during a single-channel irradiation for high incident energies, followed by a rapid decrease for energies of clinical interest. When the collimator channels are used as target, the photon production increases, however at expense of the beam size that is also enlarged. The illumination of all channels simultaneously shows a fairly even transmission of the beam. Conclusion: With the measurements we have verified the MC models and the uniformity of beam transmission through SPHINX, and we have evaluated the importance of particle leakage through adjacent channels. These results can be used to optimize SPHINX design through the validated MC simulations. Funding: Weston Havens Foundation, Office of the Dean of Medical School and Office of the Provost (Stanford University). Loo, Maxim, Borchard, Tantawi are co-founders of TibaRay Inc. Loo and Tantawi are TibaRay Inc. board members. Loo and Maxim received grants from Varian Medical Systems and RaySearch Laboratory.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Selective Heating Through Y-Junction Waveguide Designed by Acoustic Shape Optimization

Unlike phononic crystals or systems designed by topology optimization, waveguides designed by shape optimization do not have voids or internal defects, making the fabrication process more suitable for additive manufacturing. By designing a Y-junction waveguide through shape optimization, an ultrasonic wave can be controlled so that it propagates to a predetermined location just by adjusting its frequency. These demultiplexed ultrasonic waves can be used to transport signals or stimulate nearby materials. As an example, the ultrasonic wave is converted to heat at different locations, which can be applied to mechanisms that can take advantage of heating. First, shape optimization is performed on a cylindrical structure to selectively propagate ultrasonic waves of a particular frequency while attenuating others, which is analyzed through a finite element model. The numerical study results are compared with experimental measurements from samples fabricated through additive manufacturing methods. After verifying the concept, the Y-junction waveguide is fabricated to demultiplex the wave and selectively heat different locations. Here the results show that the method of combining shape optimization with additive manufacturing is exceptionally simple and capable of demultiplexing ultrasonic waves, which can replace complex electrical components with single-material waveguides.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Impact of intravenous contrast used in computed tomography on radiation dose to carotid arteries and thyroid in intensity-modulated radiation therapy planning for nasopharyngeal carcinoma

The aim of this study was to investigate if intravenous contrast injection affected the radiation doses to carotid arteries and thyroid during intensity-modulated radiation therapy (IMRT) planning for nasopharyngeal carcinoma (NPC). Thirty consecutive patients with NPC underwent plain computed tomography (CT) followed by repeated scanning after contrast injection. Carotid arteries (common, external, internal), thyroid, target volumes, and other organs-at-risk (OARs), as well as IMRT planning, were based on contrast-enhanced CT (CE-CT) images. All these structures and the IMRT plans were then copied and transferred to the non–contrast-enhanced CT (NCE-CT) images, and dose calculation without optimization was performed again. The radiation doses to the carotid arteries and the thyroid based on CE-CT and NCE-CT were then compared. Based on CE-CT, no statistical differences, despite minute numeric decreases, were noted in all dosimetric parameters (minimum, maximum, mean, median, D05, and D01) of the target volumes, the OARs, the carotid arteries, and the thyroid compared with NCE-CT. Our results suggested that compared with NCE-CT planning, CE-CT scanning should be performed during IMRT for better target and OAR delineation, without discernible change in radiation doses.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Learning to Unknot

We introduce natural language processing into the study of knot theory, as made natural by the braid word representation of knots. We study the UNKNOT problem of determining whether or not a given knot is the unknot. After describing an algorithm to randomly generate N-crossing braids and their knot closures and discussing the induced prior on the distribution of knots, we apply binary classification to the UNKNOT decision problem. We find that the Reformer and shared-QK Transformer network architectures outperform fully-connected networks, though all perform at 95% accuracy. Perhaps surprisingly, we find that accuracy increases with the length of the braid word, and that the networks learn a direct correlation between the confidence of their predictions and the degree of the Jones polynomial. Finally, we utilize reinforcement learning (RL) to find sequences of Markov moves and braid relations that simplify knots and can identify unknots by explicitly giving the sequence of unknotting actions. Trust region policy optimization (TRPO) performs consistently well, reducing 80% of the unknots with up to 96 crossings we tested to the empty braid word, and thoroughly outperformed other RL algorithms and random walkers. Studying these actions, we find that braid relations are more useful in simplifying to the unknot than one of the Markov moves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Film properties of low temperature HfO{sub 2} grown with H{sub 2}O, O{sub 3}, or remote O{sub 2}-plasma

A reduction of the deposition temperature is necessary for atomic layer deposition (ALD) on organic devices. HfO{sub 2} films were deposited by ALD on silicon substrates in a wide temperature range from 80 to 300 °C with tetrakis[ethylmethylamino]hafnium as metal precursor and H{sub 2}O, O{sub 3}, or an remote O{sub 2}-plasma as oxygen source. Growth rate and density were correlated to electrical properties like dielectric constant and leakage current of simple capacitor structures to evaluate the impact of different process conditions. Process optimizations were performed to reduce film imperfections visible at lower deposition temperatures. Additionally, the influence of postdeposition annealing on the structural and electrical properties was studied.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Piezoelectric Energy Harvesting Gyroscopes: Comparative Modeling and Effectiveness

Given its versatility in drawing power from many sources in the natural world, piezoelectric energy harvesting (PEH) has become increasingly popular. However, its energy harvesting capacities could be enhanced further. Here, a mathematical model that accurately simulates the dynamic behavior and energy harvested can facilitate further improvements in the performance of piezoelectric devices. One of the goals of this study is to create a dependable reduced-order model of a multi-purpose gyroscope. This model will make it possible to compute the harvested voltage and electrical power in a semi-analytical manner. The harvested voltage is often modeled as an average value across the whole electrode surface in piezoelectric devices. We propose a model which provides practical insights toward optimizing the performance of the system by considering a spatially varying electric field across the electrode surface length. Our framework allows investigation of the limits of applicability of the modeling assumptions across a range of load resistances. The differential quadrature method (DQM) provides the basis for the suggested numerical solution. The model is also employed to examine energy harvesting under various resistance loads. The newly developed spatially varying model is evaluated for open- and closed-circuit conditions and is proved to be accurate for various values of load resistance that have not previously been considered. The results show that using a spatially varying model is more versatile when modeling the performance of the piezoelectric multifunctional energy harvester. The performance may be accurately captured by the model for load resistances ranging between 103 Ω and 108 Ω. At optimum load resistance and near 65 KHz, the maximum power output predicted by the spatially varying (SV) model is 1.3 mV, 1.5 mV for the open-circuit (OC) model, and 2.1 mV for the closed circuit (CE) model. At a high-load resistance, the SV and OC models all predict the maximum power output to be 1.9 mV while the CE model predicted the maximum voltage to be 3 mV.

42 ENGINEERING↗
DOE OSTI2020

Continuous Monitoring and Partial Water Softening for Cooling Tower Water Treatment

Cooling towers are an integral component of many refrigeration systems, providing comfort or process cooling across a broad range of applications. They are the point in the system where heat is dissipated to the atmosphere through the evaporative cooling process. Cooling towers are commonly found in industrial applications and are also often used in water-cooled chilled water plants in medium to large commercial buildings. Continuous monitoring and partial water softening for cooling towers used in medium to large commercial buildings are the focus of this paper. Cooling towers consume large amounts of water. Cooling tower-related water consumption is one of largest potable water loads within buildings in the United States, with substantial building water use associated with heating and cooling. Regional water shortages have highlighted a need to reduce water consumption; the U.S. General Services Administration (GSA) and Executive Order 13834 place priority on reducing water consumption. This priority has fueled interest in the identification, investigation, and potential broad deployment of cost-effective opportunities to reduce water use, such as alternative water treatment (AWT) technologies for cooling towers. Traditional water treatment approaches use chemicals to extend the ability of the water to hold scaling minerals in suspension, minimize corrosion, and prevent biological growth. This treatment protects the chillers and cooling tower equipment; however, even when chemicals are used regularly, a certain percentage of condenser water must be drained and made up with fresh water to maintain system water quality parameters. In addition, the use of chemicals sometimes creates a waste disposal issue and can cause building owners to incur additional fees, such as disposal or wastewater charges. To manage cooling tower water treatment, GSA typically contracts with a company specializing in conventional chemical maintenance for a fixed fee. While there are many types and vendors of AWT systems, this project assesses the effectiveness of one technology provided by Aqualogix. This system is a chilled water plant monitoring and control system aimed at optimizing system performance by reducing the blowdown occurrences used to remove mineral build-up. The technology consists of two components – continuous programmable logic control (PLC) monitoring and side-stream filtration with partial water softening. PLC monitoring calculates cycles of concentration (CoC) and determines the optimum amount of blowdown water required to satisfy all water chemistry requirements. Side-stream filtration removes suspended matter and improves biocide efficacy while precisely dispensing softened water to achieve optimal makeup water hardness. Unlike other AWT systems evaluated by GSA to date, this system does not replace the legacy treatment system but is used in addition to chemical water treatment. The vendor claims their technology will reduce water consumption, water discharge, and maintenance costs. The AWT system evaluated in this demonstration is a commercialized technology. Given its commercialized state, the system evaluated in this report is at a Technology Readiness Level 9 according to National Aeronautics and Space Administration (NASA) definitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Analytical gradients of the state-average complete active space self-consistent field method with density fitting

An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.

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

Tools for Design and Scale-Up of Solar Thermochemical Reactors: Cooperative Research and Development Final Report, CRADA Number CRD-13-00530

NREL will be collaborating with the Participant on a United States - Australia Solar Energy Collaboration (USASEC) Project Number 1-USO034 "Tools for design and scale-up of solar thermochemical reactors." The grant funds for the Participant's 3.5 year project number 1-US034 commencing on 1 February 2013 have been awarded to the Participant by the Australian Renewable Energy Agency and NREL will be collaborating with the Participant during the final 28 months of this project. This project seeks to provide basic knowledge required to design solar thermochemical reactors able to perform the required energy conversions. In several proposed and demonstrated reactors, concentrated sunlight directly irradiates small solid particles suspended in fluid, enabling very high heat transfer rates to the particles which are the sites of chemical reaction. The reactors, therefore, involve the complex and couple dynamics of turbulent, chemically reacting, particle-laden flows and their interaction with concentrating solar radiation. A strong understanding of these coupled interactions will be crucial important in predicting and optimizing the performance of prototype reactors, but this understanding does not yet exist, since they have never been studied in any fundamental way. The project has a assembled an internationally leading team from The University of New South Wales (UNSW) and the University of Adelaide in Australia and the NREL in the United States to address this key gap in available know-how. The project will use U.S. Dept. of Energy (DOE) supercomputers, among the most powerful available worldwide, with cutting-edge software tools to perform first-principles simulations of the relevant interactions. These studies will be combined with detailed laser-based measurements in Australia to provide the first comprehensive databases concerning the governing phenomena in directly irradiated solar-thermochemical reactors. The outcomes will be the basic scientific knowledge, engineering knowhow and modeling tools necessary to design new reactor concepts and then scale up from the laboratory bench to practical size systems.

14 SOLAR ENERGY↗
DOE OSTI2026

Thermal Performance of Neutron Sensor Qualification Device

The neutron sensor qualification device was developed to provide a temperature-controlled environment for neutron sensors and dosimetry, enabling irradiation in a neutron field at the Armed Forces Radiobiology Research Institute (AFRRI) TRIGA reactor facility. The device, constructed from low-activation and low neutron cross-section materials, features a modular tube furnace design with three independently controlled heating zones for controlling axial temperature distribution. Laboratory testing validated the device's thermal performance, including uniform temperature distribution with less than 6°C variation across the central region, a steady-state operational temperature of 350°C achieved in approximately 3 hours, and a cooling time constant of 3.5 hours. External surface temperatures remained safe for handling, with the surrounding aluminum structure remaining at ambient conditions. The results confirm the device’s suitability for neutron sensor qualification experiments, with potential for future operation at higher temperatures and further optimization of performance.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗