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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A comprehensive techno-eco-assessment of CO 2 enhanced oil recovery projects using a machine-learning assisted workflow

Carbon dioxide enhanced oil recovery (CO 2 -EOR) projects not only extract residual oil but also sequestrate CO 2 in the depleted reservoirs. Here, this study develops a machine-learning-based workflow to co-optimize the hydrocarbon recovery, CO 2 sequestration volume and project net present value (NPV) simultaneously. Considering the trade-off relationships among the objective functions, support vector regression with Gaussian kernel (Gaussian- SVR) proxies are coupled with multi-objective particle swarm optimization (PSO) protocol and generate Pareto optimal solutions. Taking advantage of the high computational efficacy of the proxy model, economic uncertainties introduced by tax credits, capital costs and oil price are investigated by this study. The results indicate that the tax incentive policy (Section 45Q) plays a vital role in enhancing the economic returns of CO 2 -EOR projects, especially under the depression of crude oil market. The proposed workflow has been successfully implemented to optimize a water alternative CO 2 (CO 2 -WAG) injection project in a depleted oil sand in the US. The optimization results yield an incremental oil production of 15.8 MM STB and 1.37 MM metric tons of CO 2 storage in a 20-year development strategy, with the highest project NPV to be 205.6 MM US dollars.

03 NATURAL GAS↗
DOE OSTI2025

Upcycling Polyethylene Waste into Hybrid Graphitic Porous Carbon Materials Used in High‐Performance Zinc‐Ion Hybrid Capacitors

Polyethylene (PE) waste is a challenge to upcycle into useful materials because this plastic tends to decompose into volatile compounds when heated at relatively low temperatures. In this work, mixtures of PE wastes into a hybrid graphitic porous carbon (HGPC) by a thermal oxidation pretreatment step, with assistance of an inert solid additive (KCl), to functionalize, crosslink, and stabilize the PE waste followed by carbonization and catalytic graphitization steps with a potassium carbonate catalyst, are upcycled. The PE waste‐derived HGPC (PW‐HGPC) has a hybrid structure composed of graphene‐like carbon nanosheets grown on the surface of carbon particles, high porosity with specific surface area, up to 1,763 m 2 g −1 , and good graphitic degree with average Raman I 2D / I G ratios of 0.53. When used as cathode material for zinc‐ion hybrid capacitors, this PW‐HGPC exhibits an excellent specific capacity, up to 126.7 mAh g −1 , at high mass loading of 10 mg cm −2 . Moreover, PW‐HGPC exhibits remarkable cycling stability with capacity retention of >94% after 10 000 cycles. Additionally, the KCl is recycled and reused over five times. This method provides a new solution for upcycling PE wastes into high value‐added carbon materials, not only for zinc‐ion hybrid capacitors but also for other electrochemical energy storage device applications.

hybrid graphitic porous carbon↗
DOE OSTI2022

Towards fast-charging high-energy lithium-ion batteries: From nano- to micro-structuring perspectives

Electric vehicles (EVs) have been playing an indispensable role in reducing greenhouse gas emissions for our modern society. However, current EVs are difficult to meet people’s diverse travel needs, especially in long endurance and fast-charging capacities. At the heart of this issue is the physicochemical limit of current lithium-ion batteries (LIBs), which are the core parts for powering the vehicles. Hence, LIBs with simultaneous high energy and power are critically required to further promote the development of EVs. Here, in this review, we first summarize the key electrochemical processes in electrochemical reactions which lead to the corresponding overpotentials in or between multiple battery components. Furthermore, numerical simulations are employed to quantitatively analyze the effects of versatile electrode parameters on electrochemical properties in high-energy NMC811//graphite systems. On the basis of the in-depth understandings from simulation, recent experimental efforts on designing electroactive materials and electrode architectures across multiple length scales are discussed. Among them, nano-structuring can promote local mass transport and stabilize the interfaces at the particle level, while micro-structuring can establish efficient pathways for charge carriers at the electrode level. Finally, we conclude that a tight feedback loop among structure engineering, characterization and simulation should be followed to speed up the understanding of the deficiencies existing in current electrode designs as well as point out the possible electrode optimization routes for next-generation fast-charging LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Building confidence in models for complex barrier systems for radionuclides

The modeling and simulation of the Cement-clay Interaction-Diffusion field (CI-D) experiment at the Mont Terri site in Switzerland presented here demonstrates that it is possible to capture the multiscale physical and chemical features of natural and engineered barrier systems for radionuclides. The simulations are successfully carried out with the newly developed CrunchODiTi high-performance computing software that accounts for multiple continua, including a continuum representing the electrical double layer (EDL) developed along negatively charged clay particles in clay rock. The simulation also accounts for both the complex three-dimensional (3D) geometry, expected as the norm in a geological waste repository, and the anisotropy of the geological formation. In addition, the high resolution of the model makes it possible to include "skin effects" developed at the interface between highly reactive materials, in this case between the high pH cement and the circumneutral but electrostatic Opalinus Clay. The successful history matching with the field experiment demonstrates that the distinct geochemical and physical properties of the cement and the Opalinus Clay in the CI-D experiment can be accounted for. Such analyses are essential for developing a defensible safety case for the underground storage of radioactive waste.

Sarsenbayev, Dauren↗
DOE OSTI2023

Origin of Rapid Delithiation In Secondary Particles Of LiNi 0.8 Co 0.15 Al 0.05 O 2 and LiNi y Mn z Co 1− y − z O 2 Cathodes

Abstract Most research on the electrochemical dynamics in materials for high‐energy Li‐ion batteries has focused on the global behavior of the electrode. This approach is susceptible to misleading analyses resulting from idiosyncratic kinetic conditions, such as surface impurities inducing an apparent two‐phase transformation within LiNi 0.8 Co 0.15 Al 0.05 O 2 . Here, nano‐focused X‐ray probes are used to measure delithiation operando at the scale of secondary particle agglomerates in layered cathode materials during charge. After an initial latent phase, individual secondary particles undergo rapid, stochastic, and largely uniform delithiation, which is in contrast with the gradual increase in cell potential. This behavior reproduces across several layered oxides. Operando X‐ray microdiffraction (‐XRD) leverages the relationship between Li content and lattice parameter to further reveal that rate acceleration occurs between Li‐site fraction ( x Li ) ≈0.9 and ≈0.5 for LiNi 0.8 Co 0.15 Al 0.05 O 2 . Physics‐based modeling shows that, to reproduce the experimental results, the exchange current density ( i 0 ) must depend on x Li , and that i 0 should increase rapidly over three orders of magnitude at the transition point. The specifics and implications of this jump in i 0 are crucial to understanding the charge‐storage reaction of Li‐ion battery cathodes.

25 ENERGY STORAGE↗
DOE OSTI2022

The feasibility of electron beam slip stacking in EIC Rapid Cycling Synchrotron

Announced in 2020, the Electron Ion Collider will be constructed at Brookhaven National Lab (BNL) by modifying the existing Relativistic Heavy Ion Collider (RHIC) facility. Among the alterations include the installation of an electron storage ring (ESR) and a Rapid Cycling Synchrotron (RCS) in the existing RHIC tunnel. The RCS will accelerate polarized electrons from 400MeV to 5GeV,10GeV and 18 GeV and transfer it to the ESR. The LINAC source produces 7nC per shot meanwhile the RCS requires 28nC per bunch of charge. Currently, it is planned to inject 4 bunches into adjacent RF buckets and then merge them into a single RF bucket using fields from several RF cavities. However, this requires a kicker with an exceptionally fast rise and fall time to inject into adjacent RF bucket without disturbing the existing circulating bunch and this requires harmonic RF kickers. Our study focuses on determining the feasibility of an alternate particle injection method that will utilize slip stacking, a method that accommodates the circulation of multiple beams with different momentum in the same azimuthal space of the beampipe, thus permitting the accumulation of charge from several shots into a single RF bucket. We find the momentum aperture required for slip stacking using current RCS beam parameters exceeds the RCS’s momentum deviation limit,dp/p = 1.5%. We determine the appropriate dimensions the beam must have to enable slip stacking and conduct a literature review of slip stacking schemes in other facilities. The literature review tentatively indicates that slip stacking has not been attempted on electron beams at a major accelerator facility.. The slip stacking approach has the potential to save the cost of the harmonic RF kicker and bunch merging cavities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Nuclear Material Control & Accounting for Pebble Bed Reactors (FY 2023 Summary Report)

This report discusses the work done under the US Department of Energy NE-5 Advanced Reactor Safeguards and Security Program during FY 2023. It provides a summary of material control and accounting (MC&A) for pebble bed reactors (PBRs) and addresses some of the main challenges with current PBR MC&A approaches that will inform safeguards and security by design efforts. The efforts to date have focused on tristructural isotropic (TRISO) pebble fuel material accounting and control including working with partners in industry, loss and production of nuclear material as part of reactor operations, burnup modeling and measurements, uncertainty quantifications for such modeling and measurements, statistical approaches needed, and measurement methods. The unique fuel management and utilization in a PBR, where the fuel in spherical form is introduced and circulates through the reactor, poses special challenges for MC&A. This contrasts with traditional water-cooled reactors in which the fuel is contained in large assemblies and can be easily identified and counted. Even online fueled reactors, such as the CANDU reactors (none of which operate in the United States), are significantly different because the fuel is still contained in relatively large assemblies, is uniquely identified, and the number of assemblies that pass through the core on an annual basis is much fewer than the hundreds of thousands that circulate in a PBR, none of which are uniquely identified. Additionally, the nature of the TRISO fuel results in very low heavy metal loading with each pebble containing less than 10 g of uranium and on the order of less than 1 g of fissile material. This low fuel density and the robustness of the TRISO particles are major features of the TRISO fuel from a safety basis as each TRISO particle and pebble acts as a containment for the nuclear material and fission products during normal and accident conditions. This also results in very low plutonium loading per pebble during normal operations, which is on the order of 0.1 g at full burnup. A major feature of PBRs is that they will allow for significantly higher burnup, on the order of 160 GWd/THM compared to the burnup of traditional LWRs, which is on the order of 45 GWd/THM. This is achieved by monitoring the pebbles as they circulate through the reactor and allowing them to be reintroduced into the core until the desired burnup is achieved and they are removed from the reactor and enter the spent fuel storage areas.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

On the Impact of Mechanics on Electrochemistry of Lithium-Ion Battery Anodes

Abstract Models exploring electrochemistry-mechanics coupling in liquid electrolyte lithium-ion battery anodes have traditionally incorporated stress impact on thermodynamics, bulk diffusive transport, and fracture, while stress-kinetics coupling is more explored in the context of all solid-state batteries. Here, we showcase the existence of strong link between active particle surface pressure and reaction kinetics affecting performance even in liquid electrolyte systems. Traction-free and immobile particle surface mechanical boundary conditions are used to delineate the varying pressure magnitudes in graphite host during cycling. Both tensile and compressive stresses are generated in traction-free case, while a fixed surface subjects the entire particle to a compression state. Pressure magnitudes are nearly two to three orders of magnitude higher for the latter resulting in significant depression of open circuit potential and improvement of exchange current densities compared to stress-free state. The results demonstrate the need for incorporating stress-kinetics linkage in models and provide a rationale for putting battery electrodes under compression to improve kinetics.

25 ENERGY STORAGE↗
DOE OSTI2021

Lithium vanadium oxide (Li 1.1 V 3 O 8 ) thick porous electrodes with high rate capacity: utilization and evolution upon extended cycling elucidated via operando energy dispersive X-ray diffraction and continuum simulation

The phase distribution of lithiated LVO in thick (~500 μm) porous electrodes (TPEs) designed to facilitate both ion and electron transport was determined using synchrotron-based operando energy dispersive X-ray diffraction (EDXRD). Probing 3 positions in the TPE while cycling at a 1C rate revealed a homogeneous phase transition across the thickness of the electrode at the 1st and 95th cycles. Additionally, continuum modelling indicated uniform lithiation across the TPE in agreement with the EDXRD results and ascribed decreasing accessible active material to be the cause of loss in delivered capacity between the 1st and 95th cycles. The model was supported by the observation of significant particle fracture by SEM consistent with loss of electrical contact. Overall, the combination of operando EDXRD, continuum modeling, and ex situ measurements enabled a deeper understanding of lithium vanadium oxide transport properties under high rate extended cycling within a thick highly porous electrode architecture.

25 ENERGY STORAGE↗
DOE OSTI2020

Measurement of Spontaneous Undulator Radiation Statistics Generated by a Single Electron (URSSE)

As previously stated in the experiment proposal [1], the goal of the URSSE experiment was to study statistical properties of the undulator radiation generated by a single electron, circulating inthe IOTA storage ring. Namely, the idea was to study the distribution of the number of photons detected in a certain time window, and the distribution of the inter-arrival times of the photons. We wanted to see if the photostatistics was exactly Poissonian, as predicted or if there was some deviation towards Sub-Poissonian light, similar to what was observed in another study.

43 PARTICLE ACCELERATORS↗
NASA NTRSDate not supplied

Modeling Self-Pressurization and Spray Bar Pressure Control of a Cryogenic Storage Tank in Normal Gravity

This paper presents Computational Fluid Dynamics (CFD) models for simulating self-pressurization and spray bar cooling processes in a large-scale liquid hydrogen storage tank under normal gravity. The self-pressurization model utilizes the kinetics-based Schrage equation with the Volume-Of-Fluid (VOF) model to account for the evaporative and condensing interfacial mass fluxes. It uses a laminar approach to model natural convection and compares the pressures and temperatures predicted by the CFD model with experimental data from the Multipurpose Hydrogen Test Bed (MHTB) self-pressurization experiment. Additionally, the predicted interfacial mass flux is presented. A CFD model for simulating pressure control using a spray bar is also presented. An Eulerian-Lagrangian approach models the interactions between the discrete droplets and the continuous ullage phase. The spray model is coupled with the VOF model by tracking particles in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. The T-sat model is used to calculate the droplet-ullage heat and mass transfer. In this model, droplets warm up to the saturation temperature corresponding to the ullage vapor pressure thereafter evaporating while remaining at the saturation temperature. The tank pressure, vapor, and liquid temperature evolutions are validated against data from the MHTB spray bar mixing experiment.

Self-Pressurization↗
DOE OSTI2020

Improving Lithium Metal Composite Anodes with Seeding and Pillaring Effects of Silicon Nanoparticles

Metallic lithium (Li) anodes are crucial for the development of high specific energy batteries yet plagued by their poor cycling efficiency. Electrode architecture engineering is vital for maintaining a stable anode volume and suppress Li corrosion during cycling. In this paper, a reduced graphene oxide “host” framework for Li metal anodes is further optimized by embedding silicon (Si) nanoparticles between the graphene layers. They serve as Li nucleation seeds to promote Li deposition within the framework even without pre-stored Li. Meanwhile, the LixSi alloy particles serve as supporting “pillars” between the graphene layers, enabling a minimized thickness shrinkage after full stripping of metallic Li. Combined with a Li compatible electrolyte, 99.4% Coulombic efficiency over ~600 cycles is achieved, and stable cycling of a Li||NMC532 full cell for ~380 cycles with negligible capacity decay is realized.

Wang, Hansen↗
DOE OSTI2024

Experimental verification of integrability in a Danilov-Nagaitsev lattice using machine learning

In non-linear optics, achieving integrability can enhance the dynamic aperture in storage rings. We analyze turn-by-turn phase-space data from our Danilov-Nagaitsev lattice implementation at Fermilab's Integrable Optics Test Accelerator using machine learning. AI Poincaré estimates conserved quantities from experimental data without prior knowledge of the invariant structure, showing qualitative agreement with theoretical predictions. Additionally, one of the two learned invariants exhibits comparable or better conservation compared to known theoretical expressions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Instabilities driven by the fundamental crabbing mode

The Electron Ion Collider (EIC) requires crab cavities to correct for crossing angle effects. These cavities produce a time varying horizontal kick that makes the collision head on in the center of mass frame of the bunches. This results in a luminosity that is very close to the the luminosity obtained without a crossing angle. Producing the kick requires a transverse RF field. This field requires a superconducting resonator and reasonable power levels require loaded quality factors of order a million. This results is a very large transverse impedance for the crabbing mode. The horizontal beta function is large and this, coupled with the large transverse impedance of the resonator can lead to strong instabilities. In the first section of the paper a simple model is used to describe the situation without feedback. There are large ranges of tune leading to strong instabilities in both the electron and hadron storage rings of the EIC. These estimates are confirmed with simulations. In the second section, RF feedback is used to reduce the apparent impedance of the crabbing mode. Simulating the actual feedback would require both a significant rewrite of the tracking code and a significant reduction in computational speed. Instead, the apparent impedance is fitted using one pole filters, which allows use of the existing simulation code. In the third section a transverse damping system is outlined.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Linear Modelling from Betatron Phase Measurements at the Fermilab Recycler NOvA ring

Utilizing the measurement of coherent betatron oscillation phase has emerged as fast and precise approach for identifying and rectifying errors in implementing a desired lattice in CESR (Cornell Electron Storage Ring). One key advantage of betatron phase measurement over β measurement is its sensitivity to phase variations between widely separated points. This methodology has been successfully implemented for the Recycler NOvA Ring at Fermilab, with the adoption of TAO (Tool for Accelerator Optics) developed by Cornell University. By employing this technique, a linear model of the Recycler NOvA ring is established, enabling the correction of quadrupole errors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2002

Overview of the Upper Atmosphere Research Satellite: Observations from 1991 to 2002

The Upper Atmosphere Research Satellite (UARS) was launched in September 1991 by the Space Shuttle Discovery. Seven of the original ten instruments aboard the UARS are functional and six instruments regularly take measurements. The UARS is in a stable observing configuration, in spite of experiencing several anomalies which have impacted the data tape storage and power available. Power sharing and "real-time" operations using the Tracking and Data Relay Satellites have reduced the data collection over the past five years. Although the UARS measurements have not been continuous, the UARS instruments HALOE, SUSIM, SOLSTICE, HRDI, WINDII, and PEM have provided important observations over an entire solar cycle. The UARS HALOE instrument measures ozone and other constituents important in understanding ozone variations. The UARS SUSIM and SOLSTICE instruments observe ultraviolet light between 120 and 420 nm, which influence middle atmospheric constituent fluctuations. The UARS HRDI and WINDII instruments measure winds in the stratosphere, mesosphere, and thermosphere, which move constituents among the various atmospheric regions. The UARS PEM instrument provides observations of input precipitating charged particles, including both electrons and protons. This paper will provide an overview about the UARS mission and its relevant atmospheric measurements.

Jackman, Charles H.↗
DOE OSTI2021

Multiscale Understanding of Surface Structural Effects on High-Temperature Operational Resiliency of Layered Oxide Cathodes

The worldwide energy demand in electric vehicles and the increasing global temperature have called for development of high-energy and long-life lithium-ion batteries (LIBs) with improved high temperature operational resiliency. However, current attention has been mostly focused on cycling aging at elevated temperature, leaving considerable gaps of knowledge in the failure mechanism and practical control of abusive calendar aging and thermal runaway that are highly related to the eventual operational lifetime and safety performance of LIBs. Herein, using a combination of various in situ synchrotron X-ray and electron microscopy techniques, we report a multiscale understanding of surface structure effects involved in regulating the high temperature operational tolerance of polycrystalline Ni-rich layered cathodes. Our results collectively show that an ultraconformal poly (3,4-ethylenedioxythiophene) coating can effectively prevent LiNi 0.8 Co 0.1 Mn 0.1 O 2 cathode from undesired phase transformation and transition metal dissolution on the surface, atomic displacement and dislocations within primary particles, intergranular cracking along the grain boundaries within secondary particles, and intensive bulk oxygen release during high state-of-charge and high temperature aging. As a result, the present work highlights the essential role of surface structure controls in overcoming the multiscale degradation pathways of high-energy battery materials at extreme temperature.

25 ENERGY STORAGE↗
DOE OSTI2021

Understanding implications of cathode architecture on energy density of solid-state batteries

Next generation solid-state batteries (SSB) will need to leverage high voltage cathodes, as well as metallic anodes to achieve the realistic performance targets necessary to replace liquid electrolyte-based batteries in cutting-edge applications including electric vehicles. However, limitations arising from mass and charge transports, kinetics and chemo-mechanical degradation at the electrode | electrolyte interface limit the performance of present day SSBs. Optimizing composite cathode architecture, which is an integral part of solid-state batteries, is vital to realize the high-energy density and high-performance goals for next-generation solid-state batteries. Additionally, cathode architecture needs to be optimized for high loadings of active material, well-percolated ion and electron transport pathways and increased resilience against electrochemical stresses. This paper provides a first report of framework for geometric modeling of composite cathode architectures and evaluates the impact of cathode architecture on cell-level energy density using hierarchical models. Packing around primary and secondary active material particles are simulated for a range of active material particle size and solid electrolyte size distributions in the composite cathode. Impact of packing architecture on processing parameters of a given cathode composition and thickness, as well as on achievable energy density is evaluated for a range of commonly used solid electrolyte and cathode materials. Overall, the proposed framework offers a facile exploratory methodology for establishing initial metrics for scalable processing of practical and competent SSBs.

25 ENERGY STORAGE↗