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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Three-dimensional hollow-structured binary oxide particles as an advanced anode material for high-rate and long cycle life lithium-ion batteries

Transition metal oxides are among the most promising anode candidates for next-generation lithium-ion batteries for their high theoretical capacity. However, the large volume expansion and low lithium ion diffusivity leading to a poor charging/discharging performance. In this study, we developed a surfactant and template-free strategy for the synthesis of a composite of Co x Fe 3–x O 4 hollow spheres supported by carbon nanotubes via an impregnation–reduction–oxidation process. The synergy of the composite, as well as the hollow structures in the electrode materials, not only facilitate Li ion and electron transport, but also accommodate large volume expansion. Using state-of-the-art electron tomography, we directly visualize the particles in 3-D, where the voids in the hollow structures serve to buffer the volume expansion of the material. These improvements result in a high reversible capacity as well as an outstanding rate performance for lithium-ion battery applications. As a result, this study sheds light on large-scale production of hollow structured metal oxides for commercial applications in energy storage and conversion.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Laser-powered Martian rover

Two rover concepts were considered: an unpressurized skeleton vehicle having available 4.5 kW of electrical power and limited to a range of about 10 km from a temporary Martian base and a much larger surface exploration vehicle (SEV) operating on a maximum 75-kW power level and essentially unrestricted in range or mission. The only baseline reference system was a battery-operated skeleton vehicle with very limited mission capability and range and which would repeatedly return to its temporary base for battery recharging. It was quickly concluded that laser powering would be an uneconomical overkill for this concept. The SEV, on the other hand, is a new rover concept that is especially suited for powering by orbiting solar or electrically pumped lasers. Such vehicles are visualized as mobile habitats with full life-support systems onboard, having unlimited range over the Martian surface, and having extensive mission capability (e.g., core drilling and sampling, construction of shelters for protection from solar flares and dust storms, etc.). Laser power beaming to SEV's was shown to have the following advantages: (1) continuous energy supply by three orbiting lasers at 2000 km (no storage requirements as during Martian night with direct solar powering); (2) long-term supply without replacement; (3) very high power available (MW level possible); and (4) greatly enhanced mission enabling capability beyond anything currently conceived.

Harries, W. L.↗
DOE OSTI2021

Understanding multi-scale battery degradation with a macro-to-nano zoom through its hierarchy

Lithium-ion batteries (LIBs) feature structural and chemical complexities across a broad range of length scales. It is the hierarchy of the battery structure that determines its functionality. An in-depth understanding of the battery function, degradation, and failure mechanisms requires a thorough and systematic investigation from structural, chemical, mechanical, and dynamic perspectives. Here we present a macro-to-nano zoom through the hierarchy of a commercial 18650 type LIB using a suite of state-of-the-art X-ray microscopy techniques. Damage, deformation, and heterogeneity at different length scales are visualized and are associated with different degradation phenomena and mechanisms. Our results highlight the importance of the mechanical properties of the cathode material, which could impact both the immediate and the long-term cell behaviors significantly. While this study focuses on a commercial lithium cell with a standard configuration, our findings can be extrapolated and are applicable to the development of next-generation energy storage technology, e.g. solid-state batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Model data for numerical evaluation of photosensitive tracers as a strategy for separating surface and subsurface transient storage in streams

This model-data archive pertains to a study aimed at the numerical evaluation of the photosensitive tracers as a potential strategy for separating the effects of surface and hyporheic storage zones (SSZs and HSZs, respectively). Separating effects of SSZ and HSZ are important for accurately representing stream function as HSZs and SSZs expose solutes to significantly different biogeochemical conditions. We perform numerical experiments using a multiscale reactive transport model for stream corridors implemented in ATS code, which allows for representing multiple storage zones with their respective travel time distributions and biogeochemistry. For each of the numerical experiment, we provide in this model-data archive python wrapper to drive ATS (forward_model.py), synthetic observation (synthetic_btc.py, BTC_observed.csv), forward model files including ATS input (multiscale_transport.tpl), PFLOTRAN inputs (reactions_channel.tpl, reactions_hz.tpl, reactions_sz.tpl), MCMC (mcmc_run.py), predictive uncertainty (pred_uncert.py, BTCs_simulated_day.csv, BTCs_simulated_night.csv), MCMC outputs (tracer_test_GR.npy, tracer_test_logps.npy, tracer_test_parameters.npy) and Jupyter notebook for post-processing and visualization (post-processing.ipynb). For the denitrification application, ATS input file (denitrification_multisubgrid.tpl), PFLOTRAN input files (denitrification_channel.in, denitrification_hz.in), predictive uncertainty (pred_uncert_denitrification.py, BTCs_simulated_DO.csv, BTCs_simulated_DOC.csv, BTCs_simulated_Nitrate.csv).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2005

RSRM TP-H1148 Main Grain Propellant Crack Initiation Evaluation

Pressurized TP-HI 148 propellant fracture toughness testing was performed to assess the potential for initiation of visually undetectable cracks in the RSRM forward segment transition region during motor ignition. Two separate test specimens were used in this evaluation. Testing was performed in cold-gas and hot-fire environments, and under both static and dynamic pressurization conditions. Analysis of test results demonstrates safety factors against initiation of visually undetectable cracks in excess of 8.0. The Reusable Solid Rocket Motor (RSRM) forward segment is cast with PBAN propellant (TP-HI 148) to form T an 1 1-point star configuration that transitions to a tapered center perforated bore (see Figure 1). The geometry of the transition region between the fin valleys and the bore causes a localized area of high strain during horizontal storage. Updated analyses using worst-case mechanical properties at 40 F and improved modeling techniques indicated a slight reduction in safety margins over previous predictions. Although there is no history of strain induced cracks or flaws in the transition region propellant, a proactive test effort was initiated to better understand the implications of the new analysis, primarily the resistance of TP-H1148 propellant to crack initiation' during RSRM ignition.

Earnest, Todd E.↗
DOE OSTI2019

Surveillance Report on SAVY 4000 and Hagan Nuclear Material Storage Containers ( FY2019 Update)

A Surveillance Program is in place to assess how nuclear material storage containers at LANL are aging in-service. This program is guided by the LANL Surveillance Plan which is required by DOE M441.1-1. The plan is modified as necessary to ensure that any issues identified during surveillance or laboratory studies are examined in future surveillances, and that any lifetime implications are taken into account. Under the plan, overall container integrity is evaluated by a combination of visual inspections and photographs. Multiple measurements are made to assess the SAVY 4000 performance, including, helium leakage rate, O-ring hardness (durometer), O-ring compression set, filter performance and filter water resistance. The containers for surveillance are chosen annually based on the previous surveillance program results and observations. The surveillance plan targets items believed to provide the greatest challenge to the SAVY 4000 container integrity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Surveillance Report on SAVY 4000 and Hagan Nuclear Material Storage Containers Update for FY2020

A Surveillance Program is in place to assess how nuclear material storage containers at LANL are aging in-service. This program is guided by the LANL Surveillance Plan which is required by DOE M441.1-1. The plan is modified as necessary to ensure that any issues identified during surveillance or laboratory studies are examined in future surveillances, and that any lifetime implications are taken into account. Under the plan, overall container integrity is evaluated by a combination of visual inspections and photographs. Multiple measurements are made to assess the SAVY 4000 performance, including, helium leakage rate, O-ring hardness (durometer), O-ring compression set, filter performance and filter water resistance. The containers for surveillance are chosen annually based on the previous surveillance program results and observations. The surveillance plan targets items believed to provide the greatest challenge to the SAVY 4000 container integrity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Two-Dimensional Siloxene Nanosheets: Impact of Morphology and Purity on Electrochemistry

Two-dimensional (2D) siloxene (Si 6 O 3 H 6 ) has shown promise as a negative electrode material for Li-ion batteries due to its high gravimetric capacity and superior mechanical properties under (de)lithiation compared to bulk Si. Here, in this work, we prepare purified siloxene nanosheets through the removal of bulk Si contaminants, use ultrasonication to control the lateral size and thickness of the nanosheets, and probe the effects of the resulting morphology and purity on the electrochemistry. The thin siloxene nanosheets formed after 4 h of ultrasonication deliver an average capacity of 810 mA h/g under a 1000 mA/g rate over 200 cycles with a capacity retention of 76%. Interestingly, the purified siloxene shows lower initial capacity but superior capacity retention over extended cycling. The 2D morphology benefit is illustrated where the parent siloxene nanosheet morphology and structure were largely maintained based on operando optoelectrochemistry, in situ Raman, ex situ scanning electron microscopy, and ex situ transmission electron microscopy. Furthermore, the purified siloxene-based electrode free from crystalline Si impurity experiences the least expansion upon (de)lithiation as visualized by cross-section electron microscopy of samples recovered post-cycling.

25 ENERGY STORAGE↗
DOE OSTI2016

Hanford Single-Shell Tank and Double-Shell Tank Integrity Programs - 16390

Waste at Hanford is stored in 149 single-shell tanks and 28 double-shell tanks. Concerns related to aging radioactive waste storage facilities throughout the DOE complex led to Brookhaven National Laboratory (BNL) developing guidelines for structural integrity programs for tank systems. The committee of experts who developed these guidelines is commonly known as the Tank Structural Integrity Panel (TSIP). The DOE has subsequently adopted these guidelines, and requires site operators to have a program consistent with them. The Double-Shell Tank (DST) integrity is maintained with a variety of activities such as ultrasonic and visual inspections, chemistry controls, corrosion monitoring and structural analyses methods. In October 2012, Washington River Protection Solutions, LLC (WRPS) determined that the primary tank of 241-AY-102 was leaking. WRPS contracted a panel of experts from industry and academia to provide advice and recommendations for the DST Integrity Program. The panel focused on three concerns: - No Early warning - Determine why the existing DST Integrity Program did not predict a primary tank failure or provide early warning of the pending failure. - Program improvements - Recommend activities to either predict a primary tank failure or increase the probability of early warning. - Forensic recommendations - The panel provided additional recommendations regarding forensic assessment of Tank 241-AY-102 (AY-102) to facilitate a conclusion on why the leak occurred. WRPS has prepared a response to the concerns of the panel coupled with recommendations for project action to strengthen the DST Integrity Program [4]. The purpose of this DST Integrity Improvement Plan is to translate the recommendations to specific project activities that are technically and practically responsive. To improve the understanding of the Single-Shell Tank (SST) integrity, WRPS, the Department of Energy-Office of River Protection tank operations contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matter experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration. In late 2010, seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, also known as the Tri-Party Agreement. The change package identified two phases of work for SST integrity. The initial phase, which was completed in 2015, was focused on efforts to envelope the integrity of the tanks. It was divided into two primary areas of investigation: structural integrity and leak integrity. If necessary, based on the outcome from the initial work, a second phase would be focused on further definition of the integrity of the tanks and liners. The two combined phases are designed to support the formal integrity assessment of the Hanford SSTs in 2018 by an Independent Qualified Registered Professional Engineer. This paper will summarize the current status of the DST and SST Integrity Programs and discuss the ongoing efforts to improve these programs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Effects of Surface Modifications of Kraft Wood Pulp Cellulose Fibres on Improving the Mechanical Properties of Cellulose Fibre/Latex Composites

In this work, three composites with different contents (5, 10, and 15% w/w) of kraft pulp fibre were produced as reinforcing elements for natural latex matrix and the mechanical properties were evaluated. In order to improve the interfacial adhesion between the matrix and the reinforcing element, chemical modifications were carried out on the surface of the fibres using octanoyl and benzoyl chlorides as modifying agents. The extension of chemical modification of the fibres was visualized by the presence of absorption bands in the spectroscopy analyzes of the modified fibre in relation to the crude fibre (ester carbonyl 1700–1740 cm{sup −1}); in addition, the hydroxyl band was preserved, which indicates a modification of surface character. The modified fibres became more hydrophobic due to the decrease in surface energy and the change in the dispersive and polar components. An increase in the storage modulus was observed for the composites with surface-modified fibres, which agrees with the improved dispersion between the surface-modified fibres and the matrix verified by means of scanning electron microscopy images. The incorporation of fibres did not cause changes in the thermal properties of the composites.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Efficient diffusion of superdense lithium via atomic channels for dendrite-free lithium–metal batteries

The non-uniform aggregation of fast-diffused Li on an anode surface would aggravate its tip-effect-induced nucleation/growth, leading to the notorious dendrite growth in Li metal batteries (LMBs). Tuning the Li diffusion on the anode surface has been regarded previously as a mainstream method to induce its uniform deposition, while the diffusion of Li in the anode bulk is usually ignored. In this study, conceptually different from the classic surface modification, we propose a molecular tunnelling strategy to construct atomic channels in graphite bulk, which enables the fast diffusion of superdense Li. Density functional theory calculations and ab initio molecular dynamics simulations prove that the bulk diffusion through atomic channels could become a new and dominating path. Its reversible and efficient diffusion has been further visualized by in situ transmission electron microscopy. As a result, when coupled with high-loading LiFePO 4 cathodes (20 mg cm –2 ), a high areal capacity and 100% capacity retention are achieved over 370 cycles. Through this work a new strategy is developed based on the bulk-diffusion of superdense Li for dendrite-free LMBs, which can be pervasive in other high-performance energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2023

MDDC Multi-Length Scale Data Architecture Contribution Report – PNNL, INL, ANL, LANL and ORNL

This report offers a comprehensive view of data streams currently generated at Pacific Northwest National Laboratory, Idaho National Laboratory, Argonne National Laboratory, Los Alamos National Laboratory, and Oak Ridge National Laboratory set to integrate into the evolving Multi-Dimensional Data Correlation framework at Oak Ridge National Laboratory. Developed by the Advanced Materials and Manufacturing Technologies program, the Multi-Dimensional Data Correlation framework serves as a cutting-edge software to manage data relevant to advanced manufacturing and material behavior in advanced reactors. The report defines data streams, highlights their generation methods and visualization methods both for experimental and computational aspects relevant to the Advanced Materials and Manufacturing Technologies project. A logical next step for this work is to integrate the MDDC framework into PNNL’s, INL’s, ANL’s, LANL’s and ORNL’s fabrication, experimentation, and modelling workflows. This would require setting up the MDDC framework at PNNL, INL, ANL, and LANL and integrating it into the data collection and storage for these different activities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CO 2 storage site characterization using ensemble-based approaches with deep generative models

Estimating spatially distributed properties such as permeability from available sparse measurements is a great challenge in efficient subsurface CO 2 storage operations. In this paper, a deep generative model that can accurately capture complex subsurface structure is tested with an ensemble-based inversion method for accurate and accelerated characterization of CO 2 storage sites. We chose Wasserstein Generative Adversarial Network with Gradient Penalty (WGAN-GP) for its realistic reservoir property representation and Ensemble Smoother with Multiple Data Assimilation (ES-MDA) for its robust data fitting and uncertainty quantification capability. WGAN-GP are trained to generate high-dimensional permeability fields from a low-dimensional latent space and ES-MDA then updates the latent variables by assimilating available measurements. Several subsurface site characterization examples including Gaussian, channelized, and fractured reservoirs are used to evaluate the accuracy and computational efficiency of the proposed method and the main features of the unknown permeability fields are characterized accurately with reliable uncertainty quantification. Furthermore, the estimation performance is compared with a widely-used variational, i.e., optimization-based, inversion approach, and the proposed approach outperforms the variational inversion method in several benchmark cases. We explain such superior performance by visualizing the objective function in the latent space: because of nonlinear and aggressive dimension reduction via generative modeling, the objective function surface becomes extremely complex while the ensemble approximation can smooth out the multi-modal surface during the minimization. This suggests that the ensemble-based approach works well over the variational approach when combined with deep generative models at the cost of forward model runs unless convergence-ensuring modifications are implemented in the variational inversion.

42 ENGINEERING↗
DOE OSTI2025

Unsteady- and Steady-State Relative Permeability Study with X-ray and Acoustic Monitoring for CO 2 Storage in Deep Saline Aquifers

In this study, we link the multiphase flow measurements with controls of sedimentary structures (e.g., heterogeneity and anisotropy) on relative permeability to variations in ultrasonic velocities for two deep saline aquifer formations (Entrada and Bluff Sandstones) in the San Juan Basin of the Southwestern USA. The rock specimens were extracted from outcrop sites near Durango, CO, USA. They have distinct differences in grain size, cementation composition, and individual chemical amounts, despite both formations being eolian sandstones. We performed a series of unsteady- and steady-state CO 2 -brine relative permeability experiments under capillary-controlled displacement rates. Unsteady-state experiments were conducted at 71 °C and 9.65 MPa; steady-state experiments were conducted at 85 °C and 22.8 MPa and 89 °C and 24.1 MPa for the Bluff and Entrada Sandstones, respectively. During the unsteady experiments, X-ray computed tomography was used to visualize multiphase flow in porous media and quantify saturations during brine drainage under various flow rates. Scan images and saturation profiles indicate that the CO 2 distribution in the pore volume was strongly impacted by the presence of high-angle cross-laminations, heterogeneous rock structure, and direction of bedding orientation. Those factors contribute to dramatic and quick initial breakthroughs and affect the overall saturation dynamics. Steady-state relative permeability tests were conducted at net flow rates of 1 mL/min for both brine drainage and imbibition. During the experimental steps, the CO 2 fractional flow was increased and decreased for both drainage and imbibition scenarios to mimic the front when CO 2 contacts brine and behind the front when brine enters space previously occupied by CO 2 . It was found that compressional velocity decreased, while shear waves slightly increased as brine saturation decreased. The hysteresis effects for the relative permeability and acoustic velocities were distinct. Furthermore, the CO 2 /brine front stability is quantified by applying a mobility ratio approach to spot saturations at which the boundary line between fluids becomes uneven. The results presented in this work can potentially boost the quality and precision of forecasts for the CO 2 storage projects in which the vertical and horizontal core-scale heterogeneity and anisotropy impact the plume migration within host reservoirs.

carbon dioxide (CO2)↗
DOE OSTI2023

Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu 2+ -Doped TiNb 2 O 7 Microspheres during Li + Insertion

TiNb 2 O 7 represents a promising anode material for lithium-ion batteries (LIBs), but its practical applications are currently hampered by the non-negligible volumetric expansion and contraction during the charge/discharge process and the sluggish ion/electron kinetics. Here a combination technique is reported by systematically optimizing the porous and spherical morphology, crystal structure, and surface decoration of mesoporous Cu 2+ -doped TiNb 2 O 7 microspheres to enhance the electrochemical Li + storage performance and stability simultaneously. The Cu 2+ dopants preferentially replace Ti 4+ in crystal lattices, which decreases the Li + diffusion barrier and increases the electronic conductivity, as confirmed by density functional theory (DFT) calculation and demonstrated by diverse electrochemical characterizations. The successful Cu 2+ doping significantly reduces the lattice expansion coefficient from 7.26% to 4.61% after Li + insertion along the b-axis of TiNb 2 O 7 , as visualized from in situ and ex situ XRD analysis. The optimal 5% Cu 2+ -doped TiNb 2 O 7 with surface coating of N-doped carbon exhibits significantly enhanced specific capacity and rate and cyclic performances in both half- and full-cell configurations, demonstrating an excellent electrochemical behavior for fast-charging LIB applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Synchrotron Imaging of Pore Formation in Li Metal Solid-State Batteries Aided by Machine Learning

High-rate capable, reversible lithium metal anodes are necessary for next generation energy storage systems. In situ tomography of Li/LLZO/Li cells is carried out to track morphological transformations in Li metal electrodes. Machine learning enables tracking the lithium metal morphology during galvanostatic cycling. Nonuniform lithium electrode kinetics are observed at both electrodes during cycling. Hot spots in lithium metal are correlated with microstructural anisotropy in LLZO. Mesoscale modeling reveals that regions with lower effective properties (transport and mechanical) are nuclei for failure. Advanced visualization combined with electrochemistry represents an important pathway toward resolving non-equilibrium effects that limit rate capabilities of solid-state batteries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

WELLBASE - An Interactive Platform for Wellbore Material Assessment

This project seeks to build an open-source wellbore material data repository with adequate material performance and contextual data to support Geological Carbon Storage (GCS). By appropriately evaluating the data types as mentioned earlier made available by the WELLBASE tool, stakeholders can make more informed decisions regarding well selections, risk assessment, and economic analysis for geologic carbon storage projects. Advanced Natural Language Processing models and other custom python scripts will be deployed in an automated process to extract unstructured data from documents, reports, and web applications and subsequently parse to more usable formats. The processed data will then be integrated into a robust and comprehensive database architecture, optimizing data accessibility, and usability for analytical purposes. The final data products will be accessible through a user-friendly visualization platform that will allow users to query and visualize the data, as well as download data in usable formats.

Tetteh, Daniel A.↗
NASA NTRS2001

'The surface management system' (SuMS) database: a surface-based database to aid cortical surface reconstruction, visualization and analysis

Surface reconstructions of the cerebral cortex are increasingly widely used in the analysis and visualization of cortical structure, function and connectivity. From a neuroinformatics perspective, dealing with surface-related data poses a number of challenges. These include the multiplicity of configurations in which surfaces are routinely viewed (e.g. inflated maps, spheres and flat maps), plus the diversity of experimental data that can be represented on any given surface. To address these challenges, we have developed a surface management system (SuMS) that allows automated storage and retrieval of complex surface-related datasets. SuMS provides a systematic framework for the classification, storage and retrieval of many types of surface-related data and associated volume data. Within this classification framework, it serves as a version-control system capable of handling large numbers of surface and volume datasets. With built-in database management system support, SuMS provides rapid search and retrieval capabilities across all the datasets, while also incorporating multiple security levels to regulate access. SuMS is implemented in Java and can be accessed via a Web interface (WebSuMS) or using downloaded client software. Thus, SuMS is well positioned to act as a multiplatform, multi-user 'surface request broker' for the neuroscience community.

NASA Discipline Neuroscience↗