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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Geophysical Monitoring and Reactive Transport Modeling of Ureolytically-Driven Calcium Carbonate Precipitation

Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH4+ production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

SU-G-IeP2-13: Toward Heavy Ion Computed Tomography with Carbon Ions: A Monte Carlo Study

Purpose: In the present Monte Carlo study, we investigated the use of Carbon ions for computed tomography (CT) with a relatively low imaging dose. This will enable us to avoid any conversion of X-ray CT numbers to the relative stopping power (or relative electron density) values and the associated uncertainties in Carbon dose calculation. Methods: In the first stage, we studied the propagation of Carbon nuclei through a water phantom using the Geant4 specially to understand their lateral displacement inside the phantom. In the second stage, we used our GPU-based Monte Carlo code, which has been cross validated against Geant4, to create the 2D map of the water equivalent path length (WEPL) inside a human head size phantom by acquiring 240 projections each 1.5° apart. Subsequently the 3D relative electron density map of the phantom was reconstructed from the 2D WEPL map using the Algebraic Reconstruction Technique (ART) coupled with total variation (TV) minimization Results: A high quality image of the relative electron density inside the phantom was reconstructed by ARTTV. The mean relative error between the reconstructed image for low contrast object (PMMA) was about 1.74%. The delivered dose per scan at the center of the phantom was about 0.1 Gy. Conclusion: We have been able to obtain a 3D map of the electron density using a human head size phantom while keeping the delivered dose to relatively low value. Using the GPU capabilities of our simulation engine, we believe that a real time CT with Carbon ions could be a reality in future.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Estimating the cost and energy demand of producing lithium manganese oxide for Li-ion batteries

Lithium Manganese Oxide (LMO) is one of the important cathode active materials used in lithium ion batteries of several electric vehicles. In this paper, the production of LMO cathode material for use in lithium-ion batteries is studied. Spreadsheet-based process models have been set up to estimate and analyze the factors affecting the cost of manufacturing, the energy demand, and the environmental impact. Two processes based on the solid-state synthesis method and a sol-gel method have been explored. Results show that the solid-state process is more cost-effective because of its lower cost of raw materials. The production cost for a solid-state process is $7 kg -1 and requires 6 kWh·kg -1 of energy. The pack level cost of electric vehicle battery using LMO as a primary active material is studied as a function of LMO production cost and other parameters. The potential for reducing the cost of automotive batteries to $100 per kWh is explored in terms of LMO price and plant production volume (economy of scale), using Argonne’s BatPaC spreadsheet tool.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

The Emphasis of Design Patterns in Expressing Expert Knowledge From A Technical Solution – A Framework for Continued Research

Digital Engineering is a transformative strategy that leverages an integrated model-based approach to improve communication, decision making, design understanding, and acquisition efficiency of system development. As modern systems are derived from pre-existing systems, harvesting expert knowledge from proven systems in a useful, model-based way will reduce the experiential learning and cognition required for new system development, contributing to a Digital Engineering transformation. Motivated by performance gains observed during a multi-year, sequential development activity, this survey reviews knowledge, architecture, and pattern literature to establish a framework for research of architectural methods for expert knowledge identification and description using Model Based System Engineering. The multi-year sequential development activity is offered as the experimental system of interest for this research. This work aims to enable a digital engineering strategy that improves concept phase decision making, accelerates knowledge acquisition from lessons learned repositories, and eases the burden of generational knowledge loss.

Lithium Ion↗
DOE OSTI2019

A Dual-Stage Sodium Thermal Electrochemical Converter (Na-TEC)

The sodium thermal electrochemical converter (Na-TEC) is a heat engine that generates electricity via the isothermal expansion of sodium ions through a solid-electrolyte. The Na-TEC can ideally achieve conversion efficiencies above 45%, but thermal management limitations have constrained previous single-stage devices to thermal efficiencies below 20%. To mitigate some of these limitations, the isothermal expansion can be divided into two stages; one at the evaporator temperature (1150K) and another at an intermediate temperature (550K – 1050K). This dual-stage Na-TEC takes advantage of regeneration and reheating, and is amenable to improved thermal management through reduced parasitic losses. The dual-stage device can improve the efficiency by ~8% points over the best performing single-stage device. Generally, a single-stage Na-TEC should be used for applications requiring high power densities, whereas a dual-stage Na-TEC should be used for applications requiring high efficiency.

14 SOLAR ENERGY↗
DOE OSTI2020

Electrochemical-assisted leaching of active materials from lithium ion batteries

The development of a circular economy for lithium-ion batteries (LIB) is essential to realize decarbonization and an electrified energy market. However, the current commercial operations that recover valuable constituents from LIBs require significant energy and reagents, which create toxic emissions and additional waste. We report an electrochemical-based method for leaching valuable metals from the active materials of mixed shredded LIBs. In this process, the use electrons, as green reagent, allows the use and regeneration of Fe 2+ in low concentrations as substitute for hydrogen peroxide as a reducing agent. Leaching in a membrane separated two-compartment electrochemical cell contributes to decrease the acid requirements as H+ can be generated electrochemically. With this design, leaching efficiencies over 96% for the active metals (Li, Co, Mn, and Ni) were demonstrated at pulp densities up to 240 g/L. Copper present in the active material is electrowon and recovered separately. Preliminary cost analyses demonstrate ca. 80% reduction in energy and chemical costs as compared to traditional hydrometallurgical routes.

25 ENERGY STORAGE↗
DOE OSTI2021

Ultrafast charging of energy-dense lithium-ion batteries for urban air mobility

Urban air mobility (UAM) demands batteries with high energy density, long cycle life, and fast rechargeability. In this paper, we demonstrate an energy-dense lithium-ion battery (LiB) with ultralong cycle life under ultrafast charging. By using the asymmetric temperature modulation (ATM) method, i.e., charging at an elevated temperature and discharging around the ambient temperature, it is experimentally shown that the 209 Wh/kg LiB is charged to 88% state of charge (SOC) in ~5 min under UAM cycling while retaining 97.7% capacity after 1,000 cycles. Moreover, an experimentally validated electrochemical-thermal (ECT) model is developed to elucidate the fast charging process and the degradation mode of UAM batteries, quantitatively capturing lithium plating during fast charging. We find that the LiBs for UAM applications are most prone to lithium plating due to their higher initial SOC required as the reserve for safety; nevertheless, the ATM method is effective in minimizing or preventing lithium plating in the high SOC range of 30-90%. In addition to slowing down capacity fade, the ATM method also raises the usable capacity by 10%, which boosts the battery energy density and ensures the battery to perform full UAM cycles even at the end of life.

25 ENERGY STORAGE↗
DOE OSTI2012

Binding of ReO[subscript 4];#8722; with an engineered MoO[subscript 4 superscript 2];#8722;-binding protein: towards a new approach in radiopharmaceutical applications

Radiolabeled biomolecules are routinely used for clinical diagnostics. {sup 99m}Tc is the most commonly used radioactive tracer in radiopharmaceuticals. {sup 188}Re and {sup 186}Re are also commonly used as radioactive tracers in medicine. However, currently available methods for radiolabeling are lengthy and involve several steps in bioconjugation processes. In this work we present a strategy to engineer proteins that may selectively recognize the perrhenate (ReO{sub 4}{sup -}) ion as a new way to label proteins. We found that a molybdate (MoO{sub 4}{sup 2-})-binding protein (ModA) from Escherichia coli can bind perrhenate with high affinity. Using fluorescence and isothermal titration calorimetry measurements, we determined the dissociation constant of ModA for ReO{sub 4}{sup -} to be 541 nM and we solved a crystal structure of ModA with a bound ReO{sub 4}{sup -}. On the basis of the structure we created a mutant protein containing a disulfide linkage, which exhibited increased affinity for perrhenate (K{sub d} = 104 nM). High-resolution crystal structures of ModA (1.7 {angstrom}) and A11C/R153C mutant (2.0 {angstrom}) were solved with bound perrhenate. Both structures show that a perrhenate ion occupies the molybdate binding site using the same amino acid residues that are involved in molybdate binding. The overall structure of the perrhenate-bound ModA is unchanged compared with that of the molybdate-bound form. In the mutant protein, the bound perrhenate is further stabilized by the engineered disulfide bond.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

A dual-stage sodium thermal electrochemical converter (Na-TEC)

We report that the sodium thermal electrochemical converter (Na-TEC) is a heat engine that generates electricity through the isothermal expansion of sodium ions. The Na-TEC is a closed system that can theoretically achieve conversion efficiencies above 45% when operating between thermal reservoirs at 1150 K and 550 K. However, thermal designs have confined previous single-stage devices to thermal efficiencies below 20%. To mitigate some of these limitations, we consider dividing the isothermal expansion into two stages; one at the evaporator temperature (1150 K) and another at an intermediate temperature (650 K–1050 K). This dual-stage Na-TEC takes advantage of regeneration and reheating, and could be amenable to better thermal management. Herein, we demonstrate how the dual-stage device can improve the efficiency by up to 8% points over the best performing single-stage device. We also establish an application regime map for the single- and dual-stage Na-TEC in terms of the power density and the total thermal parasitic loss. Generally, a single-stage Na-TEC should be used for applications requiring high power densities, whereas a dual-stage Na-TEC should be used for applications requiring high efficiency.

14 SOLAR ENERGY↗
DOE OSTI2022

Coal-derived graphene foam and micron-sized silicon composite anodes for lithium-ion batteries

Silicon-based materials demonstrate significant potential as lithium-ion batteries (LIBs) anode, but their expansion and degradation present engineering design challenges for commercial application. In this study, a porous three-dimensional (3D) graphene and micron-sized silicon composite anode (Si@G foam) was synthesized using humic acid (HA) derived from coal as a graphene precursor. In-situ formation of graphene structure through reducing HA was confirmed by Raman spectra. The reduced HA (rHA) shows similar electrical conductivity compared to the commercial conductive carbon. SEM images depict a 3D skeleton of coal-derived graphene, with silicon particles distributed on the 3D graphene foam's internal surface. The Si@G composite-anode displays a good reversible capacity of ~656 mAh/g at a current density of 50 mA/g, as well as a high-rate capability of ~433 mAh/g at a current density of 800 mA/g, and outstanding cycling stability –89.8% capacity retention after 300 cycles, which is significantly higher than that of other foam structures. During lithiation and de-lithiation, the graphene foam serves as a matrix of electrical conductors and a volume expansion support for silicon. This 3D graphene network will be beneficial for developing advanced silicon-based anodes for high-performance LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

Electromagnetic and Engineering Design of a High-Current 15-MeV/u Cyclotron

The capability to produce high current, low loss, and extracted external ion beams presents an enabling technology for nuclear security, isotope production, and medical applications. We report on a novel, continuous-wave cyclotron for accelerating light ions with a charge-to-mass ratio of 1/2, which is designed for 1 mA maximum and 15 MeV/u energy. This article details the conceptual electromagnetic (EM) and engineering design including the 1.1 T sector magnets and 45 MHz, 200 kV radio frequency (RF) cavities. We discuss the cyclotron beam parameters with respect to potential commercial and industrial applications. The general concept and the accelerator’s layout are followed by a detailed EM design of magnets and RF cavities. Finally, practical engineering design considerations will be provided.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Parametric amplification of spin-motion coupling in three-dimensional trapped-ion crystals

Three-dimensional (3D) crystals offer a route to scaling up trapped-ion systems for quantum sensing and quantum simulation applications; however, engineering coherent spin-motion couplings and effective spin-spin interactions in large crystals poses technical challenges associated with decoherence and prolonged timescales to generate appreciable entanglement. Here, we explore the possibility of speeding up these interactions in 3D crystals via parametric amplification. For this purpose, we derive a general Hamiltonian for the parametric amplification of spin-motion coupling that is broadly applicable to normal modes with motion transverse to or along the spatial extent of the crystal. Unlike in lower-dimensional crystals, we find that the ability to faithfully (uniformly) amplify the spin-spin interactions in 3D crystals depends on the physical implementation of the spin-motion coupling. We consider the light-shift gate, and the so-called phase-insensitive and phase-sensitive Mølmer-Sørensen (MS) gates, and we find that only the phase-sensitive MS gate can be faithfully amplified in general 3D crystals. We discuss a situation where nonuniform amplification can be advantageous. We also reconsider the effect of counter-rotating terms on parametric amplification and find that they are not as detrimental as previous studies suggest.

Optical parametric oscillators & amplifiers↗
DOE OSTI2021

Using block-copolymer nanolithography as a tool to sensitively evaluate variation in chemical dry etching rates of semiconductor materials with sub-5 nm resolution

Ion implantation is a robust and established method to customize the electronic properties of Si. However, fabricating doped, ultrafine semiconductor nanostructures can be challenging. Ion implantation has well-established effects on the dry etch rates of Si, which becomes increasingly consequential as the target dimension shrinks below a few tens of nanometers. While dry etching arrays of block copolymer-templated nanoscale holes (pitch = 37.5 nm, diameter ~25 nm) into p-type, n-type, and undoped Si, we observed that the lateral etch rate was notably larger for the n-type regions than p-type or undoped regions. By doing image analyses on high resolution electron micrographs of the nanostructured hole arrays, we were able to extract the porosity and average radii of the holes with subnanometer sensitivity and compare the relative etch rates between different doping conditions. We found that degenerately doped n-type silicon consistently etches between approximately 17% and 27% faster in the lateral direction than p-type Si, resulting in significantly larger porosity and, consequently, less mechanical stability. Here, we demonstrate that top-down dimensional analysis of a densely packed porous nanostructure is a robust method for assessing extremely small differences in the lateral, chemical etch rate of doped Si to a degree of sensitivity that was previously unachievable. The minute, dense-packed nature of block copolymer self-assembled nanostructures is shown to be ideal for this application. This proposed method could be useful for designing fabrication processes for heterogeneous nanostructures, as slight dry etch rate variations that may be within process tolerance at the micrometer-scale appear to have nontrivial consequences at the nanometer scale.

42 ENGINEERING↗
DOE OSTI2022

Impacts of ruthenium valence state on the electrocatalytic activity of ruthenium ion-complexed graphitic carbon nitride/reduced graphene oxide nanosheets towards hydrogen evolution reaction

Design and engineering of effective electrode catalysts represents a critical first step for hydrogen production by electrochemical water splitting. Nanocomposites based on ruthenium atomically dispersed within a carbon scaffold have emerged as viable candidates. In the present study, ruthenium metal centers are atomically embedded within graphitic carbon nitride/reduced graphene oxide nanosheets by thermal refluxing. Subsequent chemical reduction/oxidation leads to ready manipulation of the ruthenium valence state, as evidenced in microscopic and spectroscopic measurements, and hence enhancement/diminishment of the electrocatalytic activity towards hydrogen evolution reaction in both acidic and alkaline media. Further, this is largely ascribed to the increased/reduced contribution of the Ru valence electrons to the density of state near the Fermi level which dictates the binding and reduction of hydrogen. Results from this study highlight the significance of the valence state of metal centers in the manipulation and optimization of the catalytic performance of single atom catalysts.

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

Battery cell engineering and design to reach high energy

Improved high energy capacity designs for lithium ion batteries are described that take advantage of the properties of high specific capacity anode active compositions and high specific capacity cathode active compositions. In particular, specific electrode designs provide for achieving very high energy densities. Furthermore, the complex behavior of the active materials is used advantageously in a radical electrode balancing design that significantly reduced wasted electrode capacity in either electrode when cycling under realistic conditions of moderate to high discharge rates and/or over a reduced depth of discharge.

Masarapu, Charan↗
DOE OSTI2022

Battery cell engineering and design to reach high energy

Improved high energy capacity designs for lithium ion batteries are described that take advantage of the properties of high specific capacity anode active compositions and high specific capacity cathode active compositions. In particular, specific electrode designs provide for achieving very high energy densities. Furthermore, the complex behavior of the active materials is used advantageously in a radical electrode balancing design that significantly reduced wasted electrode capacity in either electrode when cycling under realistic conditions of moderate to high discharge rates and/or over a reduced depth of discharge.

Masarapu, Charan↗
DOE OSTI2013

Pressure Build-Up During the Fire Test in Type B(U) Packages Containing Water - 13280

The safety assessment of packages for the transport of radioactive materials with content containing liquids requires special consideration. The main focus is on water as supplementary liquid content in Type B(U) packages. A typical content of a Type B(U) package is ion exchange resin, waste of a nuclear power plant, which is not dried, normally only drained. Besides the saturated ion exchange resin, a small amount of free water can be included in these contents. Compared to the safety assessment of packages with dry content, attention must be paid to some more specific issues. An overview of these issues is provided. The physical and chemical compatibility of the content itself and the content compatibility with the packages materials must be demonstrated for the assessment. Regarding the mechanical resistance the package has to withstand the forces resulting from the freezing liquid. The most interesting point, however, is the pressure build-up inside the package due to vaporization. This could for example be caused by radiolysis of the liquid and must be taken into account for the storage period. If the package is stressed by the total inner pressure, this pressure leads to mechanical loads to the package body, the lid and the lid bolts. Thus, the pressure is the driving force on the gasket system regarding the activity release and a possible loss of tightness. The total pressure in any calculation is the sum of partial pressures of different gases which can be caused by different effects. The pressure build-up inside the package caused by the regulatory thermal test (30 min at 800 deg. C), as part of the cumulative test scenario under accident conditions of transport is discussed primarily. To determine the pressure, the temperature distribution in the content must be calculated for the whole period from beginning of the thermal test until cooling-down. In this case, while calculating the temperature distribution, conduction and radiation as well as evaporation and condensation during the associated process of transport have to be considered. This paper discusses limiting amounts of water inside the cask which could lead to unacceptable pressure and takes into account saturated steam as well as overheated steam. However, the difficulties of assessing casks containing wet content will be discussed. From the authority assessment point of view, drying of the content could be an effective way to avoid the above described pressure build-up and the associated difficulties for the safety assessment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Interfacial and Transport Property Measurements of Liquid Sodium within a Porous Structure

The sodium thermal electrochemical converter (Na-TEC) is a heat engine that generates electricity via the isothermal expansion of sodium ions through a beta”-alumina solid-electrolyte. The transfer of liquid sodium from a low-pressure condenser to a high-pressure evaporator is necessary to complete the thermodynamic cycle for this conversion process. A unique sodium capillary pump for the Na-TEC is proposed, whereby low-pressure sodium vapor is condensed within a non-wetting (i.e. contact angle > π/2) porous sample. The curvature created at this non-wetting condensation interface supplies a directed force upon the liquid sodium that effectively “pushes” it towards a high pressure region, rather than a traditional capillary wick that “pulls” the liquid. Porous structures made of stainless steel 316 are commercially available, and this material is non-wetting to sodium at the relevant temperature range of the Na-TEC condenser (500K – 673K). An experimental set-up is used to measure several interfacial and transport properties of the condensed sodium within this porous structure. These properties include the temperature dependent Laplace pressure generated at the phase change interface and the permeability of the porous structure. For the former, liquid sodium is in contact with the porous structure and is progressively pressurized with argon gas in increments of ~ 5 kPa until the sodium “breaks through” and the liquid begins to flow. This breakthrough pressure is determined when electrical contact is established between the flowing liquid metal and a set of electrodes cemented into the flow path. The velocity of the flowing sodium can also be measured with these electrodes, and the permeability is then determined by fitting velocity data to the classical Darcy law. Statistically significant results of these measurements, taken at multiple sodium temperatures, are presented. Furthermore, contact angle measurements of sessile sodium drops on stainless steel 316 are demonstrated. This contact angle information is used to define an effective pore radius for the porous structure, which is then validated with microscopy. All the physical parameters described herein are used as inputs in a condensation model to predict the mass flowrate of condensing sodium under a given pressure gradient across the porous structure. This condensation model is used to design the capillary pump for the Na-TEC.

14 SOLAR ENERGY↗