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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The role of Li doping in layered/layered Na x Li y Ni 0.4 Fe 0.2 Mn 0.4 O 2 intergrowth electrodes for sodium ion batteries

Here, the layered NaTMO 2 (TM = Ni, Fe, Mn) materials with the O3-type structure are attractive as positive electrodes for sodium ion batteries because of their high theoretical capacity. Additionally, Li doping in these materials has been shown to offer substantial enhancements to their electrochemical properties by promoting the formation of intergrowth structures, which are combinations of specific phases. However, the mechanism by which the intergrowth modifies the electrochemical properties is often unclear. Systematic variation of Li content in Na x Li y Ni 0.4 Fe 0.2 Mn 0.4 O 2 (NFM-Li y ) was conducted to identify its role in structural modification and electrochemical performance. Li contents of 0.15 and greater generate a layered/layered Na-O3/Li-O’3 intergrowth structure. 7 Li and 23 Na nuclear magnetic resonance and x-ray absorption spectroscopy identify that when the total solubility for alkali ions in the layered structure is exceeded, Li continues to form the Li-O’3 phase while the excess Na forms residual sodium compounds such as Na 2 O. Higher Li content is associated with improved capacity retention in the initial cycles from the superior stability of the mechanically linked NaO3/Li-O’3 structure that suppresses the P3 to OP2 phase transition during charge. However, high Li contents are associated with increased rates of parasitic side reactions that reduce long-term cycling stability. These side reactions are associated with the instability of the cathode-electrolyte interphase, which can be partially mitigated by atomic layer deposition (ALD) coating with alumina, which significantly enhances the capacity retention and Coulombic efficiency over many cycles. Overall, we find that the layered/layered Na-O3/Li-O’3 intergrowth structure is able to provide structural stability and suppress undesired phase transformations but is overwhelmed by the increased reactivity of the surface if not protected by surface coating.

25 ENERGY STORAGE↗
DOE OSTI2020

Reactive chemical transport simulations of geologic carbon sequestration: Methods and applications

Chemical reaction simulations are considerably used to quantitatively assess the long-term geologic carbon sequestration (GCS), such as CO 2 sequestration capacity estimations, leakage pathway analyses, enhanced oil recovery (EOR) efficiency studies, and risk assessments of sealing formations (caprocks), wellbores, and overlying underground water resources. All these require a deep understanding of the CO 2 - associated chemical reactions. To ensure long-term, safe CO 2 sequestration in the intended formations, modeling is the only way to plausibly assess the CO 2 flow, reaction, and transport over thousands of years. This review summarizes the multiple methodologies for describing homogeneous and heterogeneous chemical reaction patterns and multiscale application examples, the recent progress and current status of chemical reaction simulations for GCS, and the impact of such simulations on geological CO2 sequestration performance. Technical gaps and future challenges are also discussed for further study. The trends and challenges of such studies include: (1) the combination of coupled chemical, mechanical, and transport processes with calibrated experiments and associated uncertainty/risk assessments; (2) enhancement of the ability to simulate detailed geophysical and geochemical equations to mimic in situ conditions; and (3) characterization of multiscale subsurface systems with detailed conceptual models and assignment of suitable boundary conditions for field-scale sequestration fields. One major gap remaining is the current lack of accurate (and scale-justified) kinetic and equilibrium chemical reaction parameters under reservoir conditions. Advanced models that couple chemical, mechanical, and transport processes with scale-justified parameters, from lab to field-scale experiments, are required for quantitative assessments of sequestration capacity and the long-term safety of GCS projects.

58 GEOSCIENCES↗
DOE OSTI2023

Solvent-Treated Zirconium-Based Nanoporous UiO-66 Metal–Organic Frameworks for Enhanced CO 2 Capture

Metal–organic framework (MOF)-derived nanoscale porous materials are widely deployed in carbon capture, but the CO 2 capacity is varied by different post-treatments, and its mechanism is still unclear. In this work, we prepared UiO-66 and treated it with methanol solvent and thermal activation approaches, which showed ~3 times enhanced CO 2 capacities from 15.1 to 45.0 mg/g and excellent recyclability of 10 cycles. The methanol treatment efficiently removes the residual guest molecules, including N,N-dimethylformamide, dangling organic linkers, and their derivatives, in the micropores (~0.8 nm) of UiO-66 and improves the surface area, pore volume, and void fraction to enhance the CO 2 capacity close to the ideal UiO-66 materials. The molecular dynamics simulation also proved a good linear relationship between the surface areas, void fraction, and CO 2 capacity. This work provides a deep understanding of the MOF’s activation mechanism and its applications in CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

The Effect of Pre-Stressing on the Static Indentation Load Capacity of the Superelastic 60NiTi

Superelastic nickel-titanium alloys, such as 60NiTi (60Ni-40Ti by wt.%), are under development for use in mechanical components like rolling element bearings and gears. Compared to traditional bearing steels, these intermetallic alloys, when properly heat-treated, are hard but exhibit much lower elastic modulus (approx.100 GPa) and a much broader elastic deformation range (approx.3 percent or more). These material characteristics lead to high indentation static load capacity, which is important for certain applications especially space mechanisms. To ensure the maximum degree of elastic behavior, superelastic materials must be pre-stressed, a process referred to as "training" in shape memory effect (SME) terminology, at loads and stresses beyond expected use conditions. In this paper, static indentation load capacity tests are employed to assess the effects of pre-stressing on elastic response behavior of 60NiTi. The static load capacity is measured by pressing 12.7 mm diameter ceramic Si3N4 balls into highly polished, hardened 60NiTi flat plates that have previously been exposed to varying levels of pre-stress (up to 2.7 GPa) to determine the load that results in shallow but measurable (0.6 m, 25 in. deep) permanent dents. Hertz stress calculations are used to estimate contact stress. Without exposure to pre-stress, the 60NiTi surface can withstand an approximately 3400 kN load before significant denting (>0.4 m deep) occurs. When pre-stressed to 2.7 GPa, a static load of 4900 kN is required to achieve a comparable dent, a 30 percent increase. These results suggest that stressing contact surfaces prior to use enhances the static indentation load capacity of the superelastic 60NiTi. This approach may be adaptable to the engineering and manufacture of highly resilient mechanical components such as rolling element bearings.

DellaCorte, Christopher↗
DOE OSTI2020

Potassium Prussian blue-coated Li-rich cathode with enhanced lithium ion storage property

With high specific capacity, the layered Li-rich Mn-based oxide (LRMO) is a promising candidate cathode material for Li-ion batteries. However, the irreversible release of Li-ions during the first charging process, instability of LRMO/electrolyte interface and relatively low ion conductivity of LRMO result in low initial Coulombic efficiency (ICE), poor cycle stability and rate performance, which prohibit its further application. Furthermore, interface engineering via additive coating is expected to effectively address these issues. Herein, we rely on potassium Prussian blue (KPB), a Li + acceptor with good ion conductivity, as a new coating material on LRMO particles. The KPB coating not only forms a protective layer on the surface of LRMO against electrolyte corrosion, but also functions as a host for Li + transport and accommodation, leading to enhanced ion conductivity and ICE of LRMO cathode. Consequently, 2 wt% KPB coated LRMO cathode achieved an initial discharge capacity of up to 281.7 mA h g -1 with an ICE of 85.69% compared to an ICE of 79.52% for the LRMO cathode without coating. The cycling and rate performance are also greatly improved as evidenced by the well maintained capacity of up to 176.8 mA h g -1 after 100 cycles at a current density of 0.5 C, compared to the limited capacity of only 135.3 mA h g -1 for the LRMO cathode without coating. Overall, this work pioneers the use of potassium Prussian blue as additive coating material to enhance performance of LRMO cathode, and we expect it to inspire the battery community with new strategies of material engineering/design toward practical application in high-energy lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Low Regeneration Temperature Sorbents for Direct Air Capture of CO 2

Susteon Inc., in partnership with University of Wyoming and SoCalGas, successfully met all major technical objectives to (1) scale up the ionic liquid catalyst for amine-based sorbents for improved desorption and absorption kinetics, (2) evaluate the catalyzed amine-based sorbents for direct CO 2 capture process to determine CO 2 adsorption and desorption rates and energy requirements, and (3) based on the experimental results, develop a conceptual process design to perform a preliminary economic assessment to evaluate the potential for DAC process cost reduction using the catalyzed sorbents. Amine doped solid sorbents are effective for DAC applications and can be regenerated by heat or by a combination of heat, steam, and vacuum. The best sorbent composition identified was polyethyleneimine (PEI) on fumed silica with 200 ppm ionic liquid catalyst. This sorbent formulation was shown to have a CO 2 breakthrough capacity twice that of the non-catalyzed sorbent, in laboratory tests with air at 75% relative humidity (RH). The CO 2 adsorption rate was also 40% higher than that of the non-catalyzed sorbent. This type of sorbents has the attributes required for lowering the overall cost of DAC with high CO 2 capacity and high rate of adsorption. The combination of an industrially utilized amine-based sorbent with a highly active catalyst to form a new class of materials for DAC provides a technically viable pathway for reducing the cost of DAC to <$100/tonne of CO 2 . Laboratory measurements show that the silica/PEI (polyethyleneimine) sorbents with 100 ppm of ionic liquid catalyst have almost 100% higher CO 2 cyclic capacity and 40% higher adsorption rate. Generally, CO 2 desorption occurred at higher temperatures with a rate of desorption 10 times faster than adsorption (which occurred at ambient conditions). Therefore, adsorption rate is a much more important factor in the cost of DAC because it is directly linked to the CAPEX of the total system and the cycle time (i.e., sorbent productivity in ton/day of CO 2 captured per unit volume of the air contactor). An initial process design, coupled with techno-economic analysis, based on optimal experimental results and preliminary resulting from structured sorbent testing, showed a path to lower the DAC cost from the current cost of over $200/tonne CO 2 to less than $100/tonne with a scale-up, mature state of the technology, with projected material and process improvements. These results demonstrate the effectiveness of the catalyst in silica/PEI sorbents in enhancing sorbents’ CO 2 working capacity, in (a) increasing the rate of adsorption and desorption, and (b) in lowering the CAPEX and OPEX of the DAC system employing the ionic liquid catalyzed sorbents.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Prospects for silvicultural enhancement of fire resistance in mesic westside forests of the Pacific Northwest

Increasing wildfire activity in mesic, temperate Pacific Northwest forests west of the Cascade Range crest has stimulated interest in understanding whether alternative forest management practices could reduce risk of stand-replacing fire. To explore how management can enhance fire resistance in these forests and assess tradeoffs among resistance enhancement, carbon sequestration and storage, and economic returns, we conducted 40-year simulations of stand development with BioSum, a framework for conducting landscape analysis with the Forest Vegetation Simulator (FVS), utilizing a statistically representative and spatially balanced sample of Forest Inventory and Analysis (FIA) plots. Simulation outcomes under business-as-usual silviculture were contrasted with fire-aware silviculture, and treatment optimization logic was developed and applied to represent landscape-scale outcomes under business-as-usual and fire-focused management scenarios. Simulation results indicate that fire-aware prescriptions and fire-focused management can meaningfully enhance stand- and landscape-scale fire resistance of westside forests under less than extreme fire weather, but at the cost of lower economic returns and reduced net carbon storage and sequestration over the 40-year analysis window. Shifting from business-as-usual regeneration harvests with short rotations to fire-aware, episodic selection harvest improved fire resistance the most, especially in young privately-owned forests, and with only modest tradeoffs in carbon and economic outcomes. While fire-aware treatments generally reduced net present value from forest operations over business-as-usual, most treatments still generated positive net present value and could be implemented without subsidy. Fire-aware prescriptions that removed and utilized non-merchantable harvest residues instead of burning them, via either pile or broadcast burning, partially mitigated carbon emissions associated with fire-aware treatments, with about the same improvement in fire resistance. Given the currently limited institutional and financial capacity to implement fire resistance enhancing treatments at scale, the insights from this analysis may aid managers seeking to elevate fire resistance to prioritize where and how to manage.

Science & Technology - Other Topics↗
NASA NTRS2013

Method to Increase Performance of Foil Bearings Through Passive Thermal Management

This invention is a new approach to designing foil bearings to increase their load capacity and improve their reliability through passive thermal management. In the present case, the bearing is designed in such a way as to prevent the carryover of lubricant from the exit of one sector to the inlet of the ensuing sector of the foil bearing. When such passive thermal management techniques are used, bearing load capacity is improved by multiples, and reliability is enhanced when compared to current foil bearings. This concept has recently been tested and validated, and shows that load capacity performance of foil bearings can be improved by a factor of two at relatively low speeds with potentially greater relative improvements at higher speeds. Such improvements in performance with respect to speed are typical of foil bearings. Additionally, operation of these newly conceived bearings shows much more reliability and repeatable performance. This trait can be exploited in machine design to enhance safety, reliability, and overall performance. Finally, lower frictional torque has been demonstrated when operating at lower (non-load capacity) loads, thus providing another improvement above the current state of the art. The objective of the invention is to incorporate features into a foil bearing that both enhance passive thermal management and temperature control, while at the same time improve the hydrodynamic (load capacity) performance of the foil bearing. Foil bearings are unique antifriction devices that can utilize the working fluid of a machine as a lubricant (typically air for turbines and motors, liquids for pumps), and as a coolant to remove excess energy due to frictional heating. The current state of the art of foil bearings utilizes forced cooling of the bearing and shaft, which represents poor efficiency and poor reliability. This invention embodies features that utilize the bearing geometry in such a manner as to both support load and provide an inherent and passive cooling mechanism. This cooling mechanism functions in such a way as to prevent used (higher temperature) lubricant from being carried over from the exit of one sector into the entry of the next sector of the foil bearing. The disclosed innovation is an improved foil bearing design that reduces or eliminates the need for force cooling of the bearing, while at the same time improving the load capacity of the bearing by at least a factor of two. These improvements are due to the elimination of lubricant carryover from the trailing edge of one sector into the leading edge of the next, and the mixing of used lubricant with the surrounding ambient fluid.

Bruckner, Robert↗
DOE OSTI2026

Extreme confinement of hydrogen gas within fullerenelike nanoporous carbon

Nanoporous carbons and carbon nanostructures can store hydrogen at cryogenic temperatures but lack the volumetric and gravimetric capacity to be industrially significant. Recent inelastic neutron scattering experiments suggest a highly dense phase of hydrogen at temperatures well above the melting point of solid hydrogen. However, it remains unclear how pore geometry and intermolecular interactions enable these dense phases to exist, with dispersion (van der Waals) or electrostatic/induction suggested to be the key effects in slit and curved pores but their relative contributions have yet to be quantified. In this paper, we perform benchmark electronic structure calculations allowing the interactions between planar and curved aromatic molecules with hydrogen to be accurately determined. Dispersion was found to dominate over electrostatic and inductive effects with some many-body charge transfer (Dobson type-A) effects needed to capture the most highly curved structures. Density functional methods that include type-A many-body effects were found to accurately describe the intermolecular interactions at a fraction of the cost of coupled-cluster simulations and these approaches were used to calculate the energies inside large carbon bowl and slit pores. The interaction energies inside the bowl pores were found to depend on the orientation of the hydrogen molecule. This rotational barrier, modeled as a quantum hindered rotor, could reproduce the peak splitting observed in inelastic neutron scattering experiments, with weak splitting arising from bowl-like fullerene pores and strong splitting from highly confining nanotubelike pores. Increasing the fraction of such curved pores in nanoporous carbons may therefore offer a pathway to enhance their hydrogen-storage capacity. Moreover, the preferential adsorption of ortho hydrogen on nanotubelike pores could enable the storage of high-density hydrogen without the need to remove heat produced during the ortho-para hydrogen conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tailored Persistent Radical‐containing Heterotrimetal‐Organic Framework for Boosting Efficiency of Visible/NIR Light‐driven Photocatalytic CO 2 Reduction

Abstract Promoting light absorption range of photocatalysts is of great significance to improve solar light‐driven photocatalytic CO 2 reduction efficiency. Herein, a new viologen‐based multicomponent heterotrimetallic metal–organic framework (MOF) [Cu 3 Th 6 ( µ 3 ‐O) 4 ( µ 3 ‐OH) 4 (cpb) 12 ][Fe III (CN) 6 ] 6 (IHEP‐14) with an unprecedented (6, 18)‐connected she ‐ d topology is presented. Upon UV irradiation, this MOF undergoes ligand and iron photoreduction, and a single‐crystal‐to‐single‐crystal transformation to generate persistent radical‐containing MOF [Cu 3 Th 6 ( µ 3 ‐O) 4 ( µ 3 ‐OH) 4 (cpb • ) 12 ][Fe II (CN) 6 ] 6 (IHEP‐15). This radical‐containing MOF shows excellent stability without fading after at least 2 months in air. Besides extending the photoabsorption to a wider wavelength range covering from 200 to 2,500 nm, the generation of persistent radical in IHEP‐15 also largely enhances its CO 2 adsorption capacity by a factor of three due to the strong affinity between π orbital of the radical and the π system of CO 2 . These attributes endow IHEP‐15 with excellent visible/NIR light‐driven CO 2 photoreduction activity, with CO production rates under visible and NIR irradiation of 570.3 and 209.3 µmol h −1 g −1 , respectively. Notably, the latter is a record high for NIR‐induced CO production among all MOFs reported so far.

Hu, Kong‐Qiu↗
DOE OSTI2021

Stabilizing the Solid‐Electrolyte Interphase with Polyacrylamide for High‐Voltage Aqueous Lithium‐Ion Batteries

Abstract The introduction of “water‐in‐salt” electrolyte (WiSE) concept opens a new horizon to aqueous electrochemistry that is benefited from the formation of a solid‐electrolyte interphase (SEI). However, such SEI still faces multiple challenges, including dissolution, mechanical damaging, and incessant reforming, which result in poor cycling stability. Here, we report a polymeric additive, polyacrylamide (PAM) that effectively stabilizes the interphase in WiSE. With the addition of 5 molar % PAM to 21 mol kg −1 LiTFSI electrolyte, a LiMn 2 O 4 ∥L‐TiO 2 full cell exhibits enhanced cycling stability with 86 % capacity retention after 100 cycles at 1 C. The formation mechanism and evolution of PAM‐assisted SEI was investigated using operando small angle neutron scattering and density functional theory (DFT) calculations, which reveal that PAM minimizes the presence of free water molecules at the anode/electrolyte interface, accelerates the TFSI − anion decomposition, and densifies the SEI.

Hou, Xu↗
DOE OSTI2021

Stabilizing the Solid‐Electrolyte Interphase with Polyacrylamide for High‐Voltage Aqueous Lithium‐Ion Batteries

Abstract The introduction of “water‐in‐salt” electrolyte (WiSE) concept opens a new horizon to aqueous electrochemistry that is benefited from the formation of a solid‐electrolyte interphase (SEI). However, such SEI still faces multiple challenges, including dissolution, mechanical damaging, and incessant reforming, which result in poor cycling stability. Here, we report a polymeric additive, polyacrylamide (PAM) that effectively stabilizes the interphase in WiSE. With the addition of 5 molar % PAM to 21 mol kg −1 LiTFSI electrolyte, a LiMn 2 O 4 ∥L‐TiO 2 full cell exhibits enhanced cycling stability with 86 % capacity retention after 100 cycles at 1 C. The formation mechanism and evolution of PAM‐assisted SEI was investigated using operando small angle neutron scattering and density functional theory (DFT) calculations, which reveal that PAM minimizes the presence of free water molecules at the anode/electrolyte interface, accelerates the TFSI − anion decomposition, and densifies the SEI.

25 ENERGY STORAGE↗
DOE OSTI2022

Stream and ocean hydrodynamics mediate partial migration strategies in an amphidromous Hawaiian goby

Abstract Partial migration strategies, in which some individuals migrate but others do not, are widely observed in populations of migratory animals. Such patterns could arise via variation in migratory behaviors made by individual animals, via genetic variation in migratory predisposition, or simply by variation in migration opportunities mediated by environmental conditions. Here we use spatiotemporal variation in partial migration across populations of an amphidromous Hawaiian goby to test whether stream or ocean conditions favor completing its life cycle entirely within freshwater streams rather than undergoing an oceanic larval migration. Across 35 watersheds, microchemical analysis of otoliths revealed that most adult Awaous stamineus were freshwater residents (62% of n = 316 in 2009, 83% of n = 274 in 2011), but we found considerable variation among watersheds. We then tested the hypothesis that the prevalence of freshwater residency increases with the stability of stream flows and decreases with the availability of dispersal pathways arising from ocean hydrodynamics. We found that streams with low variation of daily discharge were home to a higher incidence of freshwater residents in each survey year. The magnitude of the shift in freshwater residency between survey years was positively associated with predicted interannual variability in the success of larval settlement in streams on each island based on passive drift in ocean currents. We built on these findings by developing a theoretical model of goby life history to further evaluate whether mediation of migration outcomes by stream and ocean hydrodynamics could be sufficient to explain the range of partial migration frequency observed across populations. The model illustrates that the proportion of larvae entering the ocean and differential survival of freshwater‐resident versus ocean‐going larvae are plausible mechanisms for range‐wide shifts in migration strategies. Thus, we propose that hydrologic variation in both ocean and stream environments contributes to spatiotemporal variation in the prevalence of migration phenotypes in A. stamineus . Our empirical and theoretical results suggest that the capacity for partial migration could enhance the persistence of metapopulations of diadromous fish when confronted with variable ocean and stream conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Seasonal delay of Sahelian rainfall driven by an east–west contrast in radiative forcing in idealized CESM experiments

Recent studies suggest the observed seasonal delay of rainfall over the Sahel is mainly driven by anthropogenic aerosol forcing, which features a robust east–west contrasting changes in recent decades, with negative and positive top-of-the-atmosphere shortwave radiative forcing in South and East Asia (SA&EA) and in North America and Europe (NA&EU), respectively. Their individual effects on the Sahel rainfall annual cycle remain unclear. Here, by designing idealized sensitivity experiments based on Community Earth System Model (CESM1.2), we show that both negative radiative forcing over SA&EA and positive radiative forcing over NA&EU contribute to the delayed phase and enhanced amplitude of Sahel rainfall annual cycle. To understand the underlying physical processes, both the convective quasi-equilibrium (CQE) and atmospheric energetic frameworks are utilized. Both frameworks can well explain the seasonal delay in the rainfall annual cycle over the Sahel under the regional radiative forcings, with the CQE framework showing stronger explanatory power. Based on the insights from both frameworks, we conducted a moisture budget analysis and found that the negative radiative forcing over SA&EA causes an anomalous low-level anticyclonic circulation, which transports more moisture to the Sahel. As the anomalous anticyclone is stronger in summer and fall compared to spring, rainfall is delayed in the Sahel. Further, under the influence of the positive radiative forcing over NA&EU, more warming in the northern hemisphere causes northward transport of moisture to the northern tropics associated with the cross-equatorial transport of energy. The moisture transport increases relativehumidity over the Sahel and enhances the effective atmospheric heat capacity that delays the seasonal rainfall.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Sequestration and release of nitrite and nitrate in alkali-activated slag: A route toward smart corrosion control

Intercalating the corrosion inhibitive ions in hydrotalcite is a promising approach to improve the long-term efficiency of inhibitors in corrosion protection of steel in reinforced concrete. In this work, the potential of autogenously generating nitrite- and nitrate-intercalated hydrotalcite in alkali-activated slag (AAS) is investigated. The results show that the added nitrite and nitrate ions are preferably uptaken in the interlayer structure of hydrotalcite in AAS, and the sequestered nitrite and nitrate are released upon chloride exposure in seawater and NaCl solution. The incorporation of nitrite and nitrate has little detrimental effects on the chloride binding capacity of AAS but slightly enhances the chloride ingress due to the pore coarsening effect. Similar to ordinary Portland cement (OPC), AAS is more permeable to the chloride in seawater than NaCl solution. However, unlike the release of bound chloride contributed by ettringite formation in seawater-exposed OPC, the enhanced chloride ingress in seawater-exposed AAS is primarily attributed to the aggravated pH reduction at the exposure front due to brucite formation. This study contributes to the design of alkali-activated binders with a smart inhibitor releasing ability for mitigating corrosion of steel in concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Capture of Iodine from Nuclear-Fuel-Reprocessing Off-Gas: Influence of Aging on a Reduced Silver Mordenite Adsorbent after Exposure to NO/NO 2

Iodine radioisotopes released during nuclear fuel reprocessing must be removed from the off-gas stream before discharge. One promising material for iodine capture is reduced silver mordenite (Ag 0 Z). Nevertheless, the adsorbent’s capacity will degrade, or age, over time when the material is exposed to other off-gas constituents. Though the overall impact of aging is known, the underlying physical and chemical processes are not. To examine these processes, Ag 0 Z samples were prepared and aged in 2% NO 2 in dry air and in 1% NO in N 2 gas streams at 150 °C for up to six months. Aged samples were then characterized using scanning electron microscopy, X-ray diffraction, Raman spectroscopy, and X-ray absorption spectroscopy. These techniques show that aging involves two overarching processes: (i) oxidation of the silver nanoparticles present in Ag 0 Z and (ii) migration of oxidized silver into the mordenite’s inner network. Silver on the nanoparticle’s surface is oxidized through adsorption of O 2 , NO, and NO 2 . Additionally, Raman spectroscopy and X-ray absorption spectroscopy indicate that nitrates are the primary products of this adsorption. Most of these nitrates migrate into the interior of the mordenite and exchange at framework binding sites, returning silver to its unreduced state (AgZ). The remaining nitrates exist at a persistent concentration without aggregating into bulk-phase AgNO 3 . X-ray absorption spectroscopy results further indicate that iodine adsorption occurs on not just Ag 0 Z but also on AgZ and a portion of the nitrates in the system. AgZ adsorbs a sizable quantity of iodine early in the aging process, but its capacity drops rapidly over time. For well-aged samples, nitrates are responsible for up to 95% of mordenite’s iodine capacity. Overall, these results have enhanced our understanding of the aging process in silver mordenite and are expected to guide the development of superior adsorbents for the capture of radioactive iodine from reprocessing off-gas.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

More Heavy Precipitation in World Urban Regions Captured Through a Two‐Way Subgrid Land‐Atmosphere Coupling Framework in the NCAR CESM2

Abstract Current global climate models (GCMs), limited to grid‐scale land‐atmosphere coupling, cannot represent subgrid urban‐rural precipitation contrasts. This study develops an innovative two‐way subgrid land‐atmosphere coupling framework in the National Center for Atmospheric Research (NCAR) Community Earth System Model version 2 (CESM2) to explicitly resolve land‐atmosphere interaction over subgrid individual land units. Results show that urban heat island (UHI) leads to the urban rainfall effect (URE), which in turn alleviates overestimated UHI over China in CESM2. The URE manifests as a shift toward more heavy precipitation and less light precipitation in world urban areas than in surrounding rural counterparts. This feature is consistent with available observations. In heavy precipitation situations, the UHI promotes atmospheric instability and enhances atmospheric water vapor holding capacity, resulting in more heavy precipitation in urban areas. Conversely, in light precipitation situations, the UHI and decreased evaporation from urban impermeable surfaces diminish atmospheric relative humidity, suppressing light precipitation.

Geology↗