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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 883 records · Page 49

Heat up and failure of BWR upper internals during a severe accident

In boiling water reactors, the shroud dome, separators, and dryers above the core are made of approximately 100,000 kg of stainless steel. During a severe accident in which the coolant boils away and exothermic oxidation of zirconium occurs, gases (steam and hydrogen) are superheated in the core region and pass through the upper internals. In this scenario, the upper internals can also be heated by thermal radiation from the hot degrading core. Historically, models of the upper internals have been relatively simple in severe accident codes. The upper internals are typically modeled in MELCOR as two lumped volumes with simplified heat transfer characteristics and no structural integrity considerations, and with limited ability to oxidize, melt, and relocate. The potential for and the subsequent impact of the upper internals to heat up, oxidize, fail, and relocate during a severe accident was investigated. A higher fidelity representation of the shroud dome, steam separators, and steam driers was developed in MELCOR v1.8.6 by extending the core region upwards. The MELCOR modeling effort entailed adding 45 additional core cells and control volumes, 98 flow paths, and numerous control functions. The model accounts for the mechanical loading and structural integrity, oxidation, melting, flow area blockage, and relocation of the various components. Consistent with a previous study, the results indicate that the upper internals can reach high temperatures during a severe accident sufficient to lose their structural integrity and relocate. Finally, the additional 100 metric tons of stainless steel debris influences the subsequent in-vessel and ex-vessel accident progression.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Robust paths to net greenhouse gas mitigation and negative emissions via advanced biofuels

Biofuel and bioenergy systems are integral to most climate stabilization scenarios for displacement of transport sector fossil fuel use and for producing negative emissions via carbon capture and storage (CCS). However, the net greenhouse gas mitigation benefit of such pathways is controversial due to concerns around ecosystem carbon losses from land use change and foregone sequestration benefits from alternative land uses. Here, we couple bottom-up ecosystem simulation with models of cellulosic biofuel production and CCS in order to track ecosystem and supply chain carbon flows for current and future biofuel systems, with comparison to competing land-based biological mitigation schemes. Analyzing three contrasting US case study sites, we show that on land transitioning out of crops or pasture, switchgrass cultivation for cellulosic ethanol production has per-hectare mitigation potential comparable to reforestation and severalfold greater than grassland restoration. In contrast, harvesting and converting existing secondary forest at those sites incurs large initial carbon debt requiring long payback periods. We also highlight how plausible future improvements in energy crop yields and biorefining technology together with CCS would achieve mitigation potential 4 and 15 times greater than forest and grassland restoration, respectively. Finally, we show that recent estimates of induced land use change are small relative to the opportunities for improving system performance that we quantify here. While climate and other ecosystem service benefits cannot be taken for granted from cellulosic biofuel deployment, our scenarios illustrate how conventional and carbon-negative biofuel systems could make a near-term, robust, and distinctive contribution to the climate challenge.

54 ENVIRONMENTAL SCIENCES↗

Efficient turbine engine using integrated ammonia fuel processing

A gas turbine engine includes a core engine that includes a core flow path where air is compressed in a compressor section, communicated to a combustor section, mixed with an ammonia based fuel and ignited to generate a high energy combusted gas flow that is expanded through a turbine section. The turbine section is mechanically coupled to drive the compressor section. An ammonia flow path communicates an ammonia flow to the combustor section. A cracking device is disposed in the ammonia flow path. The cracking device is configured to decompose the ammonia flow into a fuel flow containing hydrogen (H2). At least one heat exchanger is upstream of the cracking device that provides thermal communication between the ammonia flow and a working fluid flow such that the ammonia fluid flow accepts thermal energy from the working fluid flow.

Smith, Lance L.↗

Development of a Platform for High-Resolution Ion Mobility Separations Coupled with Messenger Tagging Infrared Spectroscopy for High-Precision Structural Characterizations

The ability to uniquely identify a compound requires highly precise and orthogonal measurements. Here we describe a newly developed analytical platform that integrates high resolution ion mobility and cryogenic vibrational ion spectroscopy for high-precision structural characterizations. This platform allows for the temporal separation of isomeric/isobaric ions and provides a highly sensitive description of the ion’s adopted geometry in the gas phase. The combination of these orthogonal structural measurements yields precise descriptors that can be used to resolve between and confidently identify highly similar ions. The unique benefits of our instrument, which integrates a structures for lossless ion manipulations ion mobility (SLIM IM) device with messenger tagging infrared spectroscopy, include the ability to perform high-resolution ion mobility separations and to record the IR spectra of all ions simultaneously. The SLIM IM device, with its 13 m separation path length, allows for multipass experiments to be performed for increased resolution as needed. It is integrated with an Agilent qTOF MS where the collision cell was replaced with a cryogenically held (30 K) TW-SLIM module. The cryo-SLIM is operated in a novel manner that allows ions to be streamed through the device and collisionally cooled to a temperature where they can form noncovalently bound N 2 complexes that are maintained as they exit the device and are detected by the TOF mass analyzer. The instrument can be operated in two modes: IMS+IR where the IR spectra for mobility-selected ions can be recorded and IR-only mode where the IR spectra for all mass-resolved ions can be recorded. In IR-only mode, IR spectra (400 cm –1 spectral range) can be recorded in as short as 2 s for high throughput measurements. Further, this work details the construction of the instrument and modes of operation. It provides initial benchmarking of CCS and IR measurements to demonstrate the utility of this instrument for targeted and untargeted approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A tensor density measure of topological charge in three dimensional nematic phases

A path-independent measure in order parameter space is introduced such that, when integrated along any closed contour in a three-dimensional nematic phase, it yields the topological charge of any line defects encircled by the contour. A related measure, when integrated over either closed or open surfaces, reduces to known results for the charge associated with point defects (hedgehogs) or Skyrmions. We further define a tensor density, the disclination density tensor D, from which the location of a disclination line can be determined. This tensor density has a dyadic decomposition near the line into its tangent and its rotation vector, allowing a convenient determination of both. The tensor D may be non-zero in special configurations in which there are no defects (double-splay or double-twist configurations), and its behaviour there is provided. The special cases of Skyrmions and hedgehog defects are also examined, including the computation of their topological charge from D.

36 MATERIALS SCIENCE↗

TH-CD-209-08: Quantification of the Interplay Effect in Proton Pencil Beam Scanning Treatment of Lung

Purpose: To quantify the dose degradation caused by the interplay effect based on a beam specific motion analysis in proton pencil beam scanning (PBS) treatment of lung tumors Methods: PBS plans were optimized on average CT using a beam-specific PTV method for 10 consecutive patients with locally advanced non-small-cell-lung-cancer (NSCLC) treated with proton therapy to 6660/180 cGy. End inhalation (CT0) and end exhalation (CT50) were selected as the two extreme scenarios to acquire the relative stopping power ratio difference (Δrsp) for a respiration cycle. The water equivalent difference (ΔWET) per radiological path was calculated from the surface of patient to the iCTV by integrating the Δrsp of each voxel. The motion magnitude of each voxel within the target follows a quasi-Gaussian distribution. A motion index (MI (>5mm WET)), defined as the percentage of target voxels with an absolute integral ΔWET larger than 5 mm, was adopted as a metric to characterize interplay. To simulate the treatment process, 4D dose was calculated by accumulating the spot dose on the corresponding respiration phase to the reference phase CT50 by deformable image registration based on spot timing and patient breathing phase. Results: The study indicated that the magnitude of target underdose in a single fraction plan is proportional to the MI (p<0.001), with larger motion equating to greater dose degradation and standard deviations. The target homogeneity, minimum, maximum and mean dose in the 4D dose accumulations of 37 fractions varied as a function of MI. Conclusion: The MI quantification metric can predict the level of dose degradation in PBS lung cancer treatment, which potentially serves as a clinical decision tool to assess whether patients are suitable to receive PBS treatment.

60 APPLIED LIFE SCIENCES↗

A tensor density measure of topological charge in three dimensional nematic phases

A path independent measure in order parameter space is introduced such that, when integrated along any closed contour in a three dimensional nematic phase, it yields the topological charge of any line defects encircled by the contour. A related measure, when integrated over either closed or open surfaces, reduces to known results for the charge associated with point defects (hedgehogs) or Skyrmions. We further define a tensor density, the disclination density tensor D, from which the location of a disclination line can be determined. This tensor density has a dyadic decomposition near the line into its tangent and its rotation vector, allowing a convenient determination of both. The tensor D may be nonzero in special configurations in which there are no defects (double-splay or double-twist configurations), and its behavior there is provided. The special cases of Skyrmions and hedgehog defects are also examined, including the computation of their topological charge from D.

36 MATERIALS SCIENCE↗

Investigation and Mitigation of a Prominent Off-Axis Stray Light Path in Rubin Observatory Commissioning

The "scratched tape" stray light feature is the most prominent and prevalent stray light artifact identified during the commissioning of the Vera C. Rubin Observatory. The scratched tape feature originates when light from large off-axis angles (~20 deg) passes between the mid-level and center-section light baffles, reflects off the primary mirror, and illuminates the LSST Camera focal plane. This scenario represented an unobstructed stray light path to the sky during Rubin commissioning due to delays in the integration of the dome slit light-wind screen. This document describes the identification, modeling, characterization, and mitigation of the scratched tape stray light artifact.

Drlica-Wagner, Alex [Fermilab; Chicago U., Astron.↗

Physical conditions for UO formation in laser-produced uranium plumes

Laser-induced plasma spectroscopy is a powerful method for elemental detection and analysis, however the broadening and merging of densely packed spectral lines can make it especially challenging for studying high-Z elements such as uranium and other actinides. In order to understand the processes occurring in laser-induced plasma, it is necessary to evaluate the variation of its thermodynamic parameters. We performed spatiotemporal diagnostics of uranium species in plasma plumes produced by nanosecond near-infrared laser pulses in low- pressure environment. Spatially- and temporally-resolved emission spectroscopy experiments are supported by modeling of uranium emission and its persistence in the plume. Saha-Eggert equation as well as Boltzmann diagrams generated from numerous U I transitions are used to infer temperature. We report the rst measurements of uranium Stark broadening parameters for U I 499.01 nm and U II 500.82 nm transitions. The Stark widths of selected U transitions were measured by comparing their linewidths with the broadening of O I 777.19 nm line. Electron density was found to be on the order of 1016 cm??3, while the temperature was found to be in the range of 3000{8000 K. In addition to enhancing the fundamental understanding of high-Z plasmas under reduced-pressure environments, the knowledge of Stark broadening parameters could improve modeling capabilities and analytical performance of techniques that rely on emission plasma spectroscopy.

(140.3440) Laser-induced breakdown, (280.4788) Opt↗

Integrating DOE ASCR Computing into HEPCloud through GlideinWMS

Fermilab's HEPCloud facility expands the laboratory's computing capacity by provisioning resources beyond the local grid, using GlideinWMS to deliver pilots to where experiments such as CMS and DUNE run. The High-Performance Computing (HPC) facilities of the DOE Office of Advanced Scientific Computing Research (ASCR) are a growing part of that pool. HEPCloud currently provisions NERSC over SSH, but NERSC is moving away from that path as it adopts multi-factor authentication and directs automated access to its Superfacility API and the DOE Integrated Research Infrastructure (IRI) APIs. Maintaining and extending access across the ASCR ecosystem now requires provisioning through these interfaces. This work adds new pilot submission paths to GlideinWMS for the NERSC Superfacility API, IRI, and Globus Compute. Each uses the provisioning model GlideinWMS already applies to batch resources, so experiments can run on ASCR computing resources without changes to their existing workflows. This work finally presents a comparison of the paths to guide which interfaces are best suited for different workflows.

Majumder, Meghanto [U. Houston (main)]↗

Recovery Act: An Integrated Experimental and Numerical Study: Developing a Reaction Transport Model that Couples Chemical Reactions of Mineral Dissolution/Precipitation with Spatial and Temporal Flow Variations.

A total of 12 publications and 23 abstracts were produced as a result of this study. In particular, the compilation of a thermodynamic database utilizing consistent, current thermodynamic data is a major step toward accurately modeling multi-phase fluid interactions with solids. Existing databases designed for aqueous fluids did not mesh well with existing solid phase databases. Addition of a second liquid phase (CO2) magnifies the inconsistencies between aqueous and solid thermodynamic databases. Overall, the combination of high temperature and pressure lab studies (task 1), using a purpose built apparatus, and solid characterization (task 2), using XRCT and more developed technologies, allowed observation of dissolution and precipitation processes under CO2 reservoir conditions. These observations were combined with results from PIV experiments on multi-phase fluids (task 3) in typical flow path geometries. The results of the tasks 1, 2, and 3 were compiled and integrated into numerical models utilizing Lattice-Boltzmann simulations (task 4) to realistically model the physical processes and were ultimately folded into TOUGH2 code for reservoir scale modeling (task 5). Compilation of the thermodynamic database assisted comparisons to PIV experiments (Task 3) and greatly improved Lattice Boltzmann (Task 4) and TOUGH2 simulations (Task 5). PIV (Task 3) and experimental apparatus (Task 1) have identified problem areas in TOUGHREACT code. Additional lab experiments and coding work has been integrated into an improved numerical modeling code.

15 GEOTHERMAL ENERGY↗

Nonstationary model of an axisymmetric mirror trap with nonequilibrium plasma

The DOL nonstationary model intended to describe plasma processes in axisymmetric magnetic mirror traps is considered. The model uses averaging over the bounce period in order to take into account the dependence of plasma parameters on the coordinate along the facility axis. Examples of calculations of trap parameters by means of the DOL code based on this model are presented. Among the features of the DOL model, one can single out two points: first, the capability of calculating the terms of the collision integral with the use of a non-Maxwellian scattering function while evaluating the distribution function of fast ions and, second, concerning the background plasma, the capability of calculating the longitudinal particle and energy fluxes in confinement modes with the particle mean free path being on the order of the trap length. The influence of the scattering function approximation used to calculate the collision integral on the solution to the kinetic equation is analyzed. The dependences of plasma parameters on the power of heating injectors and the length of the fast-ion turning zone are presented as calculation examples. The longitudinal profile of the fusion reaction rate in the case of a trap with a long fast-ion turning zone is shown to depend strongly on the input parameters of the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Carbon nanotube based pressure sensor for flexible electronics

Highlights: • The electromechanical change of vertically aligned carbon nanotubes. • Fabrication of CNT field-effect transistor on flexible substrate. • CNT based FET integrated active pressure sensor. • The integrated device yields an increase in the source-drain current under pressure. - Abstract: A pressure sensor was developed based on an arrangement of vertically aligned carbon nanotubes (VACNTs) supported by a polydimethylsiloxane (PDMS) matrix. The VACNTs embedded in the PDMS matrix were structurally flexible and provided repeated sensing operation due to the high elasticities of both the polymer and the carbon nanotubes (CNTs). The conductance increased in the presence of a loading pressure, which compressed the material and induced contact between neighboring CNTs, thereby producing a dense current path and better CNT/metal contacts. To achieve flexible functional electronics, VACNTs based pressure sensor was integrated with field-effect transistor, which is fabricated using sprayed semiconducting carbon nanotubes on plastic substrate.

36 MATERIALS SCIENCE↗

Analysis of hydrogen infrastructure for the feasibility, economics, and sustainability of a fuel cell powered data center

Data centers used for internet data services, cloud computing, and/or data storage consume vast amounts of electricity and are increasing rapidly in capacity. Consequently, their power consumption has raised concerns about energy sustainability and environmental impacts. Large-scale, on-site renewable energy could help reduce data centers’ carbon footprint; however, wind and solar power alone cannot provide an uninterrupted power supply to computer servers due to their natural variability. Instead, reliable power integration can be achieved by using fuel cells powered by hydrogen from sustainable resources (e.g., wind and solar energy). Establishing a hydrogen infrastructure will be critical for realizing these benefits and establishing fuel cells as a viable power source for data centers. Here, to facilitate the development of novel carbon-free fuel cell data enters, this paper presents renewable power integrated with hydrogen infrastructures in four scenarios to provide reliable hydrogen supply from production to storage. Various paths were analyzed toward a hydrogen supply infrastructure by determining the proper component sizes and calculating the cost of meeting the server load. We used a microgrid modeling software, Hybrid Optimization of Multiple Energy Resources (HOMER), and studied the feasibility of fuel cell powered data centers employing renewable hydrogen. The modeling results show various renewable integration configurations to meet reliable and sustainable power requirement under four scenarios for a carbon-free data center.

08 HYDROGEN↗

An improved specimen preparation method for marine shallow gas-bearing sand sediments and its validations

Instabilities of shallow gas-charged seabed are potential geological hazards in ocean engineering. In practice, the conventional field sampling techniques failed to obtain undisturbed gas-bearing sediments from the seabed for laboratory mechanical testing because of sensitive gas exsolution and escape from sediments. However, preparation of representative remoulded gas-charged specimens is a challenging issue, because it is rather difficult to quantitatively control the gas content and obtain uniform distribution of gas bubbles within the specimen. Given the above problems, this work proposes a reliable approach to reconstitute the high-saturation specimen of gas-charged sediments in the laboratory by an improved multifunction integrated triaxial apparatus (MITA). This apparatus is developed based on an advanced stress path triaxial system by introducing a temperature-controlled system and a wave-monitoring system. The temperature-controlled system is used to accurately mimic the in situ environments of sediments in the seabed. The wave-monitoring system is utilized to identify exsolution point of free gas and examine the disturbance of gas to specimens during gas exsolution. The detailed procedure of gassy specimen preparation is introduced. Then, the quality of prepared specimens using our improved apparatus is validated by the high-resolution micro-X-ray computed tomography (μCT) scanning test, from which bubble occurrence and size distribution within the gassy sand specimen can be obtained; and preliminary mechanical tests on gassy sand specimens with various initial saturation degrees are performed. The proposed specimen preparation procedure succeeds in proving the postulated occurrence state of gas bubbles in coarse-grained sediments and accurately controlling the gas content.

58 GEOSCIENCES↗

Rechargable xLi{sub 2}MnO{sub 3}·(1 − x)Li{sub 4/3}Mn{sub 5/3}O{sub 4} electrode nanocomposite material as a modification product of chemical manganese dioxide by lithium additives

Highlights: • Li-ion battery cathode preparation procedure included MnO{sub 2} modification by Li-salts with subsequent heat treatment. • Li{sub 4}Mn{sub 5}O{sub 12}, Li{sub 2}MnO{sub 3,} and Li-rich phases form active nanocomposite cathode. • Heat treatment mode is of crucial importance for rechargeability. • Cathode material capacity is 150 mA h g{sup −1} within 2.5–4.5 V. - Abstract: Relatively simple preparation procedure of rechargeable Li-ion battery cathode material via manganese dioxide treatment with Li-containing additive and subsequent calcination has been demonstrated. X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, and atomic force microscopy study were characterisation methods of modification products. Pyrolusite, Li{sub 0.3}MnO{sub 2}, layered Li{sub 2}MnO{sub 3}, and spinel Li{sub 4}Mn{sub 5}O{sub 12} phases were revealed as products of initial ramsdellite phase transformations at temperatures of heat treatment ranging from 360 °C to 600 °C. Optimal temperature of final heat treatment from the point of view of rechargeability and discharge characteristics was 450 °C. Samples heat-treated at 450 °C are characterized by the unique combination of Li{sub 4/3}Mn{sub 5/3}O{sub 4} and Li{sub 2}MnO{sub 3} phase components due to their structural integration, a significant degree of disordering, and sizes of nanocrystallites with Li diffusion path, which is the most favourable for reversibility. The prepared nanocomposite cathode material delivers a capacity of 150 mA h g{sup −1} within 2.5–4.5 V at 0.1 mA discharge.

36 MATERIALS SCIENCE↗

Preliminary Component Design and Cost Estimation of a Novel Electric-Thermal Energy Storage System Using Solid Particles

Energy storage will become indispensable to complement the uncertainty of intermittent renewable resources and to firm the electricity supply as renewable power generation becomes the mainstream new-built energy source and fossil fuel power plants are phased out to meet carbon-neutral utility targets. Current energy storage methods based on pumped storage hydropower or batteries have many limitations. Thermal energy storage (TES) has unique advantages in scale and siting flexibility to provide grid-scale storage capacity. A particle-based TES system is projected to have promising cost and performance characteristics to meet the future growing energy storage needs. This paper introduces the system and components required for particle TES to become technically and economically competitive. The system integrates electric particle heaters, particle TES within insulated concrete silos, and an efficient air-Brayton combined-cycle power system to provide power for storage durations up to several days via low-cost, high-performance storage cycles. Design specifications and cost estimation of major components in a commercial-scale system are presented in this paper. A techno-economic analysis based on preliminary component designs and performance indicates that particle TES integrated with an air-Brayton combined-cycle power system has a path to achieve the targeted levelized cost of storage of 5 ¢/kWh-cycle at a round-trip efficiency of 50% when taking low-cost energy-specific components and leveraging basic assets from existing thermal power plants. The cost model provides insights for further development and economic potentials for long-duration energy storage.

14 SOLAR ENERGY↗

The Trip Itinerary Optimization Platform: A Framework for Personalized Travel Information

The New Concepts Incubator team at the National Renewable Energy Laboratory (NREL) developed a three-stage online platform for travel diary collection, personal travel plan optimization and travel itinerary visualization. In the first stage, users provide a travel diary for the previous day through an interactive map and calendar interface and survey for travel attitudes and behaviors. One or more days later, users are invited via email to engage in a second stage where they view a personal mobility dashboard displaying recommended travel itineraries generated from a novel framework that optimizes travel outcomes over a sequence of interrelated trips. A week or more after viewing these recommended travel itineraries on the dashboard, users are emailed again to engage in a third stage where they complete a final survey about travel attitudes and behaviors. A usability study of the platform conducted online showed that, in general, users found the system valuable for informing their travel decisions. A total of 274 individuals were recruited through Amazon Mechanical Turk, an online survey platform, to participate in a transportation study using this platform. On average, the platform distilled 65 feasible travel plans per individual into two recommended itineraries, each optimal according to one or more outcomes and dependent on the fixed times and locations from the travel diary. For 45 percent of users, the trip recommendation algorithm returned only a single, typically automobile-centric, itinerary because there were no other viable alternative transportation modes available. Platform users generally agreed that the dashboard was enjoyable and easy to use, and that it would be a helpful tool in adopting new travel behaviors. Users generally agreed most that the time, cost and user preferred recommendations 'made sense' to them, and were most willing to implement these itineraries. Platform users typically expressed low willingness to try the carbon and calories optimized itineraries. Of the platform users who viewed the dashboard, 13 percent reported changing their travel behavior, most adopting the time, calories or carbon optimized itineraries. While the algorithm incorporates a wealth of travel data obtained from online APIs pertaining to a travelers route such as historic traffic condition data, public transit time-tables, and bike path routes, open-ended responses from users expressed an interest in the integration of even more fine-grained traffic data and the ability to dynamically model the effect of changes in travel times. Users also commonly expressed concerns over the safety of walking and biking recommendations. Responses indicate that more information about the amenities available to cyclists and pedestrians (sidewalks, shade from trees, access to food) and routes that avoid areas of perceived elevated danger would reduce barriers to implementing these recommendations. More accurate representations of personal vehicle trips (based on vehicle make and model, implications of parking) and the identification of routes that optimize caloric intensity (seeking out elevation changes or longer walks to public transit) are promising avenues for future research.

24 POWER TRANSMISSION AND DISTRIBUTION↗