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At least 91 records · Page 5

Extreme Fast Charging: Effect of Positive Electrode Material on Crosstalk

Extreme fast charging (XFC) is a key requirement for the adoption of battery-based electric vehicles by the transportation sector. However, XFC has been shown to accelerate degradation, causing the capacity, life, and safety of batteries to deteriorate. We tested cells containing five positive electrode chemistries, LFP (olivine structure), LMO (spinel), LCO (layered), NMC811 (layered) and NCA (layered), using fast-charging protocols. After testing, the negative electrodes from cells containing positive electrodes crystallizing with a layered structure were found to have more lithium deposited on their surfaces. Further, those crystallizing with a layered structure also tended to have a larger increase in impedance than those crystallizing with a spinel or olivine structure. Characterization of the negative electrodes by X-ray photoelectron spectroscopy showed that using the concentrations of LiF and Li x PO y F z as metrics, the concentration of LiF in the SEI from the cell with different positive electrodes is LFP > LMO > LCO ~ NMC811 > NCA; and for Li x PO y F z , the order is LMO > LFP > NCA > NMC811 > LCO. Clearly, the positive-electrode material was influencing the amounts of these materials formed.

25 ENERGY STORAGE↗

Altitude profile of aerosols on Mars from measurements of its thermal radiation on limb

Measurements of the thermal (range 7 - 13 micrometers) radiation of Mars with the high space resolution (approximately 2 km) were made by the TERMOSKAN experiment of the Phobos mission. Some of the results were published earlier but only the surface radiation was analyzed in detail. However some part of these measurements was made near the limb of the planet. The atmosphere gives an important input here in the planetary thermal radiation. Beyond the limb the atmosphere is the only source. The task of this work is to estimate some characteristics of the atmosphere using brightness profiles of the thermal radiation near the limb. An appropriate model of the temperature profile T(h) is necessary for such an analysis. A set of T(h) models (nominal, maximal and minimal) was defined using various sources including MARSGRAM, Viking-1 lander data, its theoretical considerations and boundary layer models. On the next step the possible input of the atmospheric gaseous emissions (wing of CO2 15 micrometer band) was estimated. It was found that even for the maximal T(h) this input is no more than a few percents of the measured radiation beyond the limb. Consequently the aerosols are responsible for almost all measured emission. The analysis of the observed profile showed that these aerosols have two components: (1) exponential with the scale height about 10 km and (2) some layered structure (two layers with maxima about 23 and 33 km consisted probably of ice).

Moroz, V. I.↗

New Perspectives on Blowing Snow Transport, Sublimation, and Layer Thermodynamic Structure over Antarctica

Blowing snow over Antarctica is a widespread and frequent event. Satellite remote sensing using lidar has shown that blowing snow occurs over 70% of the time over large areas of Antarctica in winter. The transport and sublimation of blowing snow are important terms in the ice sheet mass balance equation and the latter is also an important part of the hydrological cycle. Until now the only way to estimate the magnitude of these processes was through model parameterization. We present a technique that uses direct satellite observations of blowing snow and model (MERRA-2) temperature and humidity fields to compute both transport and sublimation of blowing snow over Antarctica for the period 2006 to 2016. The results show a larger annual continent-wide integrated sublimation than current published estimates and a significant transport of snow from continent to ocean. The talk will also include the lidar backscatter structure of blowing snow layers that often reach heights of 200 to 300 m as well as the first dropsonde measurements of temperature, moisture and wind through blowing snow layers.

Palm, Steve↗

Reflectivity, Emissivity, and Brightness from Multilayered Soil with Linearly Varying Permittivity at P- and L- bands

Passive sensing of root zone soil moisture is theoretically investigated using P and L band frequencies. The soil is considered to be a stratified medium. The reflectivity from the soil surface is found by considering the soil to be composed of a finely layered structure with layer widths that are small compared to a wavelength. A well-known transmission line algorithm is then used to compute the reflectivity at the surface. Emissivity is obtained as (1 – reflectivity). It assumed that the soil is at a constant temperature of 300o K when determining the brightness temperature. A soil moisture profile consisting of two homogeneous layers separated by a layer of linearly varying soil moisture is investigated. The study is made at an incident angle of 40O for horizontal polarization at 0.8 and 1.4 GHz. Two variations of the basic profile are considered: a transition from a layer of lesser moisture to a layer of greater moisture and the opposite. In both cases the P band signal shows greater penetration than the L band case. There is greater penetration in the transition to drier soils. In both cases the L band signals show sensitivity to only the upper surface of the soil as expected.

Ming Li↗

Structural Stability of Graphene-Supported Pt Layers: Diffusion Monte Carlo and Density Functional Theory Calculations

In this study, we used a combination of diffusion Monte Carlo and density functional theory calculations to investigate the stability and interlayer binding of various layered structures of Pt atoms adsorbed on graphene. Our findings show that vertically buckled Pt monolayer and bilayer with (111)-packing order are more energetically favorable than the corresponding buckled (100) or flat (100)-packing structures. This can be attributed to the significant lattice mismatch (>10%) between pristine graphene and a free-standing (100)-packing Pt layer. Additionally, our calculations reveal that among the (100)-packing Pt layers, an incommensurate structure with a Pt/C atomic ratio less than 1/2 may be more stable than the commensurate structures registered at the bridge sites, which aligns with recent experimental findings of incommensurate (100)-packing Pt layers on graphene. The interlayer binding between the Pt layer and graphene is found to be primarily driven by van der Waals interaction, except for the AA-stacked buckled-(100) Pt bilayer where the bottom Pt atoms show chemisorption to the graphene surface. In conclusion, this research offers a comprehensive examination of the stability and interlayer binding of metallic Pt layers, providing valuable insights for potential applications as a next-generation catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Whiskerless Schottky diode

A Schottky diode for millimeter and submillimeter wave applications is comprised of a multi-layered structure including active layers of gallium arsenide on a semi-insulating gallium arsenide substrate with first and second insulating layers of silicon dioxide on the active layers of gallium arsenide. An ohmic contact pad lays on the silicon dioxide layers. An anode is formed in a window which is in and through the silicon dioxide layers. An elongated contact finger extends from the pad to the anode and a trench, preferably a transverse channel or trench of predetermined width, is formed in the active layers of the diode structure under the contact finger. The channel extends through the active layers to or substantially to the interface of the semi-insulating gallium arsenide substrate and the adjacent gallium arsenide layer which constitutes a buffer layer. Such a structure minimizes the effect of the major source of shunt capacitance by interrupting the current path between the conductive layers beneath the anode contact pad and the ohmic contact. Other embodiments of the diode may substitute various insulating or semi-insulating materials for the silicon dioxide, various semi-conductors for the active layers of gallium arsenide, and other materials for the substrate, which may be insulating or semi-insulating.

Bishop, William L.↗

Modularization of Ceramic Hollow Fiber Membrane Technology for Air Separation

This proposed project is aimed at studying high performance and economically competitive ceramic membrane technology for air separation and high-purity oxygen production using hollow fiber ceramic membrane stack and module technology. The design of the single permeate membrane is a hollow fiber substrate-supported thin tri-layer structure. Radially well-aligned micro-channels are embedded in the thick substrate and open at the inner surface of the substrate, enabling facile air/gas diffusion. The tri-layer structure of thin dense membrane layer (~ 10 µm) sandwiched by porous surface layer on either side is then built on the substrate using advanced fabrication process. The tri-layer structure design allows different materials to be used in different layers, where the materials of surface layers have high surface exchange coefficients while the material of dense layer has high bulk diffusivity. Such a synergetic combination leads to high permeation performance. The focus of the proposed project will be on membrane stack/module development using the developed single hollow fiber membranes, including: 1) fabrication and characterization of novel single hollow fiber membranes; 2) membrane stack design and assembly using fabricated single membranes; 3) stack modeling and analysis to guide membrane stack designs; 4) permeation performance testing and characterization of membrane stacks. The hollow fiber feature and simple sealing requirement enable very compact design of membrane stacks, which have excellent flexibility for further modularizations at different scales. The operations of such membrane stack and module may employ the exhaust heat from other components of Integrated Gasification Combined Cycle and oxy-combustion systems. Therefore, modularization of such an air separation membrane technology can be incorporated into the DOE’s REMS (radically engineered modular systems)-gasification skid and support the oxidant feed of an oxygen-blown REMS gasifier scaled to different ranges.

01 COAL, LIGNITE, AND PEAT↗

NiAl-Based Approach For Rocket Combustion Chambers

A multi-layered component, such as a rocket engine combustion chamber, includes NiAl or NiAl-based alloy as a structural layer on the hot side of the component. A second structural layer is formed of material selected form Ni-based superalloys, Co-based alloys, Fe-based alloys, Cu, and Cu-based alloys. The second material is more ductile than the NiAl and imparts increased toughness to the component. The second material is selected to enhance one or more predetermined physical properties of the component. Additional structural layers may be included with the additional material(s) being selected for their impact on physical properties of the component.

Michael V Nathal↗

NiAl-based approach for rocket combustion chambers

A multi-layered component, such as a rocket engine combustion chamber, includes NiAl or NiAl-based alloy as a structural layer on the hot side of the component. A second structural layer is formed of material selected from Ni-based superalloys, Co-based alloys, Fe-based alloys, Cu, and Cu-based alloys. The second material is more ductile than the NiAl and imparts increased toughness to the component. The second material is selected to enhance one or more predetermined physical properties of the component. Additional structural layers may be included with the additional material(s) being selected for their impact on physical properties of the component.

Nathal, Michael V.↗

The CSSL (combined sporadic structures and layers) payload: In situ observations of mesospheric sodium and related parameters

The objectives, design and results of the sensor systems for the combined sporadic structures and layers (CSSL) payload are analyzed. The CSSL main objectives were to: validate current models of mesospheric sodium chemistry; explore the relationship between turbulence and Na fluctuations; and to explore the relationship between high latitude electric fields and the formation of Na anomalies.

Machuga, David W.↗

Three-Layered Atmospheric Structure in Accretion Disks Around Stellar-Mass Black Holes

Modeling of the x-ray spectra of the Galactic superluminal jet sources GRS 1915+105 and GRO J1655-40 reveals a three-layered atmospheric structure in the inner region of the inner accretion disks. Above the cold and optically thick disk with a temperature of 0.2 to 0.5 kiloelectron volts, there is a warm layer with a temperature of 1.0 to 1.5 kiloelectron volts and an optical depth around 10. Sometimes there is also a much hotter, optically thin corona above the warm layer, with a temperature of 100 kiloelectron volts or higher and an optical depth around unity. The structural similarity between the accretion disks and the solar atmosphere suggests that similar physical processes may be operating in these different systems.

Zhang, S. N.↗

ALPS: The Age-Layered Population Structure for Reducing the Problem of Premature Convergence

To reduce the problem of premature convergence we define a new attribute of an individual, its age, and propose the Age-Layered Population Structure (ALPS), in which age is used to restrict competition and breeding between members of the population. ALPS differs from a typical EA by segregating individuals into different age-layers by their age - a measure of how long the genetic material has been in the population - and by regularly replacing all individuals in the bottom layer with randomly generated ones. The introduction of new, randomly generated individuals at regular intervals results in an EA that is never completely converged and is always looking at new parts of the fitness landscape. By using age to restrict competition and breeding search is able to develop promising young individuals without them being dominated by older ones. We demonstrate the effectiveness of the ALPS algorithm on an antenna design problem in which evolution with ALPS produces antennas more than twice as good as does evolution with two other types of EAs. Further analysis shows that the ALPS model does allow the offspring of newly generated individuals to move the population out of mediocre local-optima to better parts of the fitness landscape.

Hornby, Gregory S.↗

Very Large-Scale Motions in Smooth and Rough Wall Boundary Layers

Structural skeleton of high Reynolds number flow gives insight into smooth and rough walls. (modeling implications not yet clear) Dynamic roughness as a model of "designer" roughness: a) Impose length scale(s) and dominant frequency. b) Irregular roughness well-represented by first "few" POD modes (Christensen, 2009). Experiments and simple model demonstrate: a) Harmonics associated with forcing (and w) important. b) Change to the mean profile (skin friction).

McKeon, Beverley J.↗

Determination of Lidar Ratio for Major Aerosol Types over Western North Pacific Based on Long-Term MPLNET Data

East Asia is the most complex region in the world for aerosol studies, as it encounters a lot of varieties of aerosols, and aerosol classification can be a challenge in this region. In the present study, we focused on the relationship between aerosol types and aerosol optical properties. We analyzed the long-term (2005–2012) data of vertical profiles of aerosol extinction coefficients, lidar ratio (Sp), and other aerosol optical properties obtained from a NASA Micro-Pulse Lidar Network and Aerosol Robotic Network site in northern Taiwan, which frequently receives Asian continental outflows. Based on aerosol extinction vertical profiles, the profiles were classified into two types: type 1 (single-layer structure) and type 2 (two-layer structure). Fall season (October–November) was the prevailing season for the Type 1, whereas type 2 mainly happened in spring (March–April). In type 1, air masses normally originated from three regional sectors, i.e., Asia continental (AC), Pacific Ocean (PO), and Southeast Asia (SA). The mean Sp values were 39 ± 17 sr, 30 ± 12 sr, and 38 ± 18 sr for the AC, PO, and SA sectors, respectively. The Sp results suggested that aerosols from the AC sector contained dust and anthropogenic particles, and aerosols from the PO sector were most likely sea salts. We further combined the EPA dust event database and backward trajectory analysis for type 2. Results showed that Sp was 41 ± 14 sr and 53 ± 21 sr for dust storm and biomass-burning events, respectively. The Sp for biomass-burning events in type 2 showed two peaks patterns. The first peak occurred within range of 30–50 sr corresponding to urban pollutant, and the second peak occurred within range of 60–80 sr in relation to biomass burning. Finally, our study summarized the Sp values for four major aerosol types over northern Taiwan, viz., urban (42 ± 18 sr), dust (34 ± 6 sr), biomass-burning (69 ± 12 sr), and oceanic (30 ± 12 sr). Our findings provide useful references for aerosol classification and air pollution identification over the western North Pacific.

Sheng-Hsiang Wang↗

Evaluation of the Antarctic Boundary Layer Thermodynamic Structure In MERRA2 Using Dropsonde Observations from the Concordiasi Campaign

Recent high-resolution dropsonde observations from the 2010 Concordiasi field campaign in austral spring season show that surface-based inversions (SBIs) over Antarctica are frequently eroded, with well-mixed boundary layers occurring 33% and 18% of the time in West and East Antarctica, respectively. In this study, using the dropsonde observations, we evaluate the performance of the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA2) in representing the Antarctic boundary layer thermodynamic structure. Results show that MERRA2 has a good overall representation of the Antarctic surface stability and correctly predicts 82% of the SBIs. However, an under prediction of less stable boundary layer occurrence, especially over the elevated East Antarctic plateau, is favored during conditions of increased lower tropospheric stability associated with model dynamics, indicating difficulty in parameterizing turbulence in very stable boundary layers. In addition, a lower tropospheric cool bias (first model level and above) is observed in the MERRA2 reanalysis, especially over West Antarctica, which amplifies in the boundary layer during mixed conditions. The near-surface cold bias is most pronounced when the model fails to predict mixed layers over West Antarctica, and is expected to negatively impact the representation of surface energy budget and melt processes.

Manisha Ganeshan↗

pH-Driven Restructuring of Hydration Layers and Cation Ad-sorption at the Alumina-Water Interface

Oxide-water interfaces underpin ion separation, catalysis, and electrochemical energy technologies, where the electrical double layer (EDL) controls adsorption, transport, and reactivity. Yet, the molecular-scale link between pH-dependent surface protonation, hydration-layer structure, and counter-ion adsorption remains poorly defined. Here, we combine in situ crystal truncation rod (CTR) and resonant anomalous X-ray reflectivity (RAXR) with streaming potential measurements and ab initio molecular dynamics (AIMD) simulations to resolve the chemical and structural evolution of the EDL at the single-crystal alumina (012)-water interface in 10 mM Rb+ over pH 3-12. CTR measurements reveal two distinct adsorbed water layers at ~2.2 and ~3.5 Å above the surface that each shift toward the substrate at transition pHs near 6.5 and 10.6, respectively, directly reflecting changes in primary hydration layer structure in response to the deprotonation of bridging and terminal aluminol groups. RAXR shows a 10-fold increase in Rb+ coverage and a decrease in mean adsorption height from ~3.5 to ~2.7 Å with increasing pH, indicating enhanced counter-ion binding accompanied by Stern layer contraction. Streaming potential measurements demonstrate that the zeta potential, i.e., potential at the hydrodynamic shear plane, is positive at pH 3 and becomes negative at pH ≥3.5. This negative charge magnitude increases with increasing pH, consistent with progressive surface deprotonation at higher pH. AIMD identifies inner- and outer-sphere Rb+ complexes whose adsorption heights and coordination geometries depend sensitively on the protonation state of surface oxygens, providing atomistic support for the experimentally inferred trends. These measurements establish two discrete, site-specific pH transitions in hydration-layer structure that track aluminol (de)protonation and quantitatively link them to a pH-driven contraction of the Stern layer (increasing Rb+ coverage and decreasing adsorption height). This provides a direct structural basis for connecting surface acid-base chemistry to ion binding distances at an oxide-water interface.

Electrical double layer (EDL), Surface protonation↗

pH-Driven Restructuring of Hydration Layers and Cation Adsorption at the Alumina–Water Interface

Oxide−water interfaces underpin ion separations, catalysis, and electrochemical energy technologies, where the electrical double layer (EDL) controls adsorption, transport, and reactivity. However, the molecular-scale links between pHdependent surface protonation, hydration-layer structure, and counterion adsorption remain poorly defined. Here, we combine in situ crystal truncation rod (CTR) and resonant anomalous X-ray reflectivity (RAXR) with streaming potential measurements and ab initio molecular dynamics (AIMD) simulations to resolve the chemical and structural evolution of the EDL at the single-crystal alumina (012)−water interface in 10 mM Rb + over pH 3−12. CTR measurements reveal two distinct adsorbed water layers at ∼2.2 and ∼3.5 Å above the surface. Each water layer shifts toward the substrate at transition pHs near 6.5 and 10.6, respectively, reflecting changes in primary hydration layer structure in response to the deprotonation of bridging and terminal aluminol groups. RAXR shows a 10-fold increase in Rb + coverage and a decrease in mean adsorption height from ∼3.5 to ∼2.7 Å with increasing pH, indicating enhanced counterion binding accompanied by Stern layer contraction. Streaming potential measurements demonstrate that the zeta potential, i.e., the potential at the hydrodynamic shear plane, is positive at pH 3 and becomes negative at pH ≥ 3.5. The negative charge magnitude increases with increasing pH, consistent with progressive surface deprotonation at higher pH. AIMD identifies inner- and outer-sphere Rb+ complexes whose adsorption heights and coordination geometries depend sensitively on the protonation state of surface oxygens, providing atomistic support for the experimentally inferred trends. These measurements establish two discrete, site-specific pH transitions in hydration-layer structure that track aluminol (de)protonation and quantitatively link them to a pH-driven contraction of the Stern layer (increasing Rb + coverage and decreasing adsorption height). This provides a direct structural basis for connecting surface acid−base chemistry to ion binding distances at an oxide−water interface.

Adsorption↗

Multimetallic Layered Composites (MMLCs) for Rapid, Economical Advanced Reactor Deployment (Final Report)

This project focused on the development of multi-metallic layered composites (MMLCs) for advanced fission reactor technologies. There are many instances where one alloy or material simply cannot meet all the demands thrown at it by a reactor system, or cannot allow it to perform as strongly as one would like. Instead of focusing all our effort on developing one perfect alloy, we seek to leverage the design principle of “separation of functionality,” used in many other arenas in design, to boost performance beyond single alloys alone. One illustrative example shows the power of this approach for molten salt-cooled reactors: A three meter tall, three meter diameter reactor vessel made of Incoloy 800 was quoted at $\$$500k in 2018. A Hastelloy N vessel was quoted at $\$$5M. An MMLC vessel, in which a layer of Hastelloy N would be weld-overlaid onto Incoloy 800, was quoted at $\$$700k, and it would achieve the same performance. The potential economic gains of leveraging this approach are therefore substantial. At a minimum, each MMLC would contain one core structural layer and one coolant-facing corrosion-resistant layer. Sometimes, MMLCs required buffer layers, as the structural and corrosion-resistant layers were metallurgically incompatible. In other words, they didn’t always play nice, thus separating layers compatible with both functioned as intermediaries to keep the composite together. However, in doing so we inevitably produce new interfaces, where new issues can arise. Therefore, this project focused on what happens at these interfaces from a combination of high temperatures, irradiation, corrosion, and time. After all, a reactor makes money when it is operating, and outages of any kind erode its economic viability. First, we set out to experimentally prove that MMLCs for at least two advanced reactor systems can be made, today, in US domestic facilities. In this respect we were successful – one MMLC (a Ni-201/Incoloy 800H composite) was successfully made and drawn into two-inch coolant piping. Others were attempted, though new issues relating to cracking in vanadium layers for one and radiation damage performance of the corrosion-resistant layer in another prevented us from moving further in those specific arenas – these are engineering problems which deserve continued focus after this project. Additional experimental work focused on long-term corrosion testing of the outermost layers of the salt-cooled and liquid lead-cooled MMLC concepts, which would then be fed into predictions of how long the MMLCs could last. Next, computational (thermodynamics and atomistic) simulation studies studied how much we expect the interfaces to “blend,” due to the mixing action of neutron irradiation. This eats into both the margin for the structural layer of each MMLC, as dilution from the corrosion-resistant layer into the structural layer would decrease the total load-bearing capacity of an MMLC of finite size. On the other hand, dilution of the corrosion-resistant layer into the structural layer further reduced the margin of corrodible material, reducing the lifetime of the MMLC or necessitating extra thickness to be imparted to the MMLC to meet its functional requirements. Work here focused on irradiation-induced segregation to predict new phases which may embrittle the MMLCs, as well as quantifying irradiation-induced mixing at each interface. The results showed that mixing is expected, but it is both steady and therefore predictable, and not lifetime-limiting for most MMLC concepts – it simply has to be accounted for in calculations of reactor performance when utilizing an MMLC. Then, full-core simulations using the experimentally-derived corrosion data, the computationally discovered irradiation-induced mixing data (partially validated by experiment), and existing, benchmarked core designs for large and small sized reactor concepts (one salt-cooled, one lead-cooled) were conducted to quantify any expansion of reactor operating envelopes achieved by utilizing these MMLCs. This new framework, called REX (Reactor Envelope Expansion), incorporates a combination of core neutronics, thermal hydraulics, and the material performance data derived from this project to see how using an MMLC expands advanced fission reactor operating envelopes. It was discovered that in some cases, MMLC utilization does indeed increase the maximum operating temperatures and cycle lengths of reactor concepts, while in other cases it does not. Finally, our tech-to-market (T2M) strategy was not necessarily to create specific embodiments of MMLCs for immediate sale (because getting into the nuclear market is incredibly slow and laden with regulation, this is a long-term goal), but rather immediate stimulation of US industry using the design approach of MMLCs derived from this project. In this respect we were successful, as one of the PhD students funded on this project co-founded Allium Engineering, Inc., which created a stainless steel / low-alloy steel MMLC to function as chloride corrosion-resistant rebar for embedding into concrete structures. Allium Engineering continues to be successful, having recently opened their first factory as of this writing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗