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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg(BC)2 by Materials Project

MgB2C2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted hexagonal planar geometry to six C4- atoms. There are a spread of Mg–C bond distances ranging from 2.43–2.50 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of Mg–C bond distances ranging from 2.26–2.51 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of B–C bond distances ranging from 1.56–1.60 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. All B–C bond lengths are 1.58 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. All B–C bond lengths are 1.59 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal planar geometry to four Mg2+ and three B3+ atoms. In the second C4- site, C4- is bonded in a distorted trigonal planar geometry to three Mg2+ and three B3+ atoms. In the third C4- site, C4- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and three B3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Superconductivity in the Li-B-C system at 100 GPa

Layer Li-B-C compounds have been shown to have feasible superconductivity. Using the adaptive genetic algorithm, we predict the structures of the Li-B-C system at 100 GPa. Here we identify several low-enthalpy metallic phases with stoichiometries of Li B 2 C, Li B 3 C, Li 2 BC 2 , Li 3 B 2 C 3 , Li 3 BC, and Li 5 BC. Using a fast screening method of electron-phonon interaction, we find that Li B 3 C is a promising candidate for superconductivity. The consecutive calculations using the full Brillouin zone confirm the existence of the strong electron-phonon coupling (EPC) in this system. The anharmonic B-C phonon modes near the zone center provide the major contribution to the EPC. The EPC constant is 1.40, and the estimated critical temperature is 22 K. In this paper, we indicate that superconductivity can also happen without a layered structural motif in the Li-B-C system. We also demonstrate an effective strategy for crystal structure prediction of superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts

The BINOL supported chiral boronate ester [C 10 H 12 O 2 BC 6 F5(THF)] [(R)-1], [C 10 H 12 O 2 BC 6 F 5 (O=PEt 3 )] [(R)-3] and [C 10 H 12 O 2 BC 6 F 5 ] 2 [(R,R)-2] as well as the chiral boronium salts [C 10 H 12 O 2 B(O=PEt 3 ) 2 ] + [B(O 2 C 10 H 12 ) 2 ] - , [(R)-6] and [C 10 H 12 O 2 B(O=SMe 2 ) 2 ] + [B(O 2 C 10 H 12 ) 2 ] [(R)-7] have been synthesized, characterized by NMR spectroscopy, and the solid state structures of [(R)-1], [(R,R)-2] and [(R)-3] determined. Chiral ester [(R)-1] was found to be a potent Lewis acid, similar to B(C 6 F 5 ) 3 , and capable of rapidly catalyzing the annulation of (R)-, (S)- and rac-styrene oxide with nitrone PhCH=N(O)Me to trans-2-methyl-3,6-diphenyl-1,4,2-dioxazine (trans-11) with high regio- and diastereoslectivities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

TRACER-BC2-SP2 Field Campaign Report

The focus of this project was to assess black carbon and brown carbon aerosol in Houston, Texas during the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) user facility Tracking Aerosol Convection Interactions Experiment (TRACER) through the co-located deployment of a single-particle soot photometer (SP2) with the University of Houston/Baylor aerosol optical instrumentation in the Texas (BC)2 network in and around Houston. The deployment of the SP2 enables us to expand the spatial assessment of black carbon (BC) in Houston during TRACER by permitting a more thorough characterization of BC, including sources, transport, and potential processing. BC is well known to undergo physical and chemical changes during local and long-range transport that will impact its optical properties. By deploying multiple SP2s in the Houston area, the impacts of local and long-range transport can be assessed. The TRACER-BC2-SP2 campaign will expand spatial and temporal characterization of BC in the Houston area during TRACER and link the TRACER-carbon analysis to ongoing black and brown carbon monitoring (Texas [BC]2 network) in Houston.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Machine learning guided discovery of superconducting calcium borocarbides

Pursuit of superconductivity in light-element systems at ambient pressure is of great experimental and theoretical interest. In this work, we combine a machine learning (ML) method with first-principles calculations to efficiently search for the energetically favorable ternary Ca-B-C compounds. Three layered borocarbides (stable CaBC 5 and metastable Ca 2 BC 11 and CaB 3 C 3 ) are predicted to be phonon-mediated superconductors at ambient pressure. The stable CaBC 5 and the low-energy metastable Ca 2 BC 11 (with formation energy only 9.5 meV/atom above the convex hull) have a superconducting T c of 5.2 and 8.9 K, respectively. While the hexagonal CaB 3 C 3 possesses a T c of 26.1 K, it is metastable with formation energy of 153 meV/atom above the convex hull. The ML-guided approach opens up a way for greatly accelerating the discovery of new high-T c superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Realistic operation of two residential cordwood-fired outdoor hydronic heater appliances—Part 3: Optical properties of black and brown carbon emissions

Residential biomass combustion is a source of carbonaceous aerosol. Inefficient combustion, particularly of solid fuels produces large quantities of black and brown carbon (BC and BrC). These particle types are important as they have noted effects on climate forcing and human health. One method of measuring these quantities is by measurement of aerosol light-absorption and scattering, which can be performed using an aethalometer and nephelometer, respectively. These instruments are widely deployed in the study of ambient air and are frequently used in air quality modeling and source apportionment studies. In this study, we will describe (1) a method for measuring primary BC and BrC emissions from two residential log-fired wood hydronic heaters and (2) the BC and BrC emission from these devices over a wide range of operating conditions, such as cold-starts, warm-starts, four different levels of output ranging from 15% to 100% maximum rated output, and periods of repeated cycling. The range in flue-gas BC concentrations, measured using an aethalometer at the 880 nanometer (nm) wavelength, were between 5.09 × 10 2 and 2.24 × 10 4 micrograms per cubic meter (µg/m 3 ) while the scattering coefficient of the flue-gas, measured by a nephelometer at 880 nm, ranged between 2.20 × 10 3 and 8.56 × 10 5 inverse megameters (Mm –1 ). The BrC concentrations, measured using the 370 nm wavelength of an aethalometer, were between 9.10 × 10 1 and 3.56 × 10 4 µg/m 3 . The calculated Angstrom Absorption Exponent (AAE) of the flue-gas aerosol ranged between 1.54 and 3.63. Performing a comparison between the measured BC concentration and an external particulate matter (PM) concentration showed that overall BC makes up roughly a quarter of the PM emitted by either of the two appliances. Further for both appliances, the cold-start and the test phase immediately following it had the highest BC and BrC concentrations, the highest measured scattering coefficient, as well as a low AAE.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRSDate not supplied

Decision Aid for Conjunction Risk Mitigation by Differential Drag

In the previous five years, the rate of conjunctions that the NASA Conjunction Assessment Risk Analysis (CARA) team processed and analyzed has more than tripled. (NASA CARA, 2024) New missions in the early development phases are now required to plan for dealing with conjunctions under the present space environment, and also projecting forward into a future likely with even further increased utilization of the space environment. Some missions are investigating the possibility of using differential drag to remediate conjunctions without expending limited fuel or for missions without propulsive capabilities. The NASA CARA team studied the historical record of conjunctions to evaluate the circumstances under which differential drag may be successfully applied and have developed a series of tables to use as a decision aid for missions considering differential drag. Currently, if a CARA-protected mission with maneuvering capabilities is predicted to have a conjunction with probability of collision (Pc) greater than 7E-5 (the default value of the ‘yellow threshold’, which may have some other value agreed by CARA and the mission during the Orbital Collison Avoidance Planning (OCAP) process), CARA will use its Maneuver Trade Space (MTS) tool to evaluate and recommend options for the timing and magnitude of a risk mitigation maneuver (RMM), based on the mission’s capabilities. If the conjunction’s Pc is greater than 1E-4, the ‘red threshold’, then an RMM must be executed per NASA Procedural Requirements (NPR) 8079.1 (NASA, 2023), although missions may execute an RMM even if the Pc is lower. The magnitude of the maneuver is typically a few cm/s, and CARA estimates how many will be required for the mission’s nominal lifetime – typically a few per year – during the OCAP process, to inform the mission’s delta-V requirement. For traditional satellites, this is usually smaller than other requirements for orbit insertion, maintenance, and disposal, but for CubeSats or other small satellite missions, a propulsion system may not provide much more than a few cm/s of delta-V or may not fit at all within the available budget of money, time, size, weight, and/or power (SWaP). Conversely, CubeSats often have deployable solar panels, which offer the capacity to have much higher areas facing some directions than others. Such a mission can instead use ‘differential drag’ to remediate a conjunction -- in other words, change its drag area (usually increasing) to deviate from the predicted collision course. This is how Planet’s Dove spacecraft maintain their formations and remediate conjunction risks without having on-board propulsion (Foster, et al., 2017) (Griffith, et al., 2021). CARA has been developing improvements to MTS to support differential-drag for NASA's missions -- where it is effective. CARA records all conjunctions of their protected payloads, with historical records starting in 2005 (with significant conjunction events starting to occur on or after 2013). From this record, approximately 7,300 had a Pc greater than 1E-4 at 3 days prior to the time of closest approach, the time analyzed for differential drag efficacy. Of those, approximately 4,300 had fully-defined covariance matrices stored for both the primary and secondary objects; this set of conjunctions is the basis for the analysis of this work. CARA’s MTS tool was used to propagate the primary satellite forward from that decision point with varying degrees of increase to ballistic coefficient (BC). Because these conjunctions came from multiple missions, the nondimensional ‘delta-BC’ factor was used to quantify and normalize the increase in ballistic coefficient, defined as follows: Delta-BC = BC_new / BC_old - 1 Positive delta-BC factors represent an increase in drag compared to the nominal attitude, while negative delta-BC factors (to a minimum of -1) represent a decrease in drag. At the conclusion of the differential-drag ‘maneuver’, the Pc was recalculated to evaluate whether or not the conjunction was mitigated (Pc < 3E-6). These results were then binned and sorted along several axes, including altitude, amount of delta-BC, and (pre-maneuver) rate of energy dissipation (EDR), to identify underlying patterns. The altitude plot is shown in Figure 1. To validate this analysis, we consulted the record of a NASA mission which uses differential drag to maintain its orbit and remediate conjunction risk. CARA’s empirical record of the mission’s orbit history suggests it achieves a delta-BC of 2.2. Of the twenty-one RMM plans that were submitted by this mission, eighteen were matched with conjunctions in the historical record; of those, twelve were successfully remediated (final measured Pc < 3E-6), and six were not. This is consistent with the expected efficacy for missions orbiting at that altitude. We are presently simulating this mission’s RMMs with MTS; this work is ongoing, but so far, the MTS results are qualitatively in agreement with the empirical results -- correctly predicting that a maneuver would or would not remediate a conjunction, if not exactly matching the final post-remediation Pc value. We found that differential drag was most successful for satellites with perigees below 560 km, and which could adopt an average delta-BC of 2 or greater (that is, increasing their ballistic coefficient by a factor of 3). However, this is a difficult threshold for a mission to clear; very few spacecraft are capable of adopting a high-drag configuration for 72 hours continuously. Planet’s Dove spacecraft use differential drag to remediate conjunctions (Griffith, et al., 2021), and they have a maximum delta-BC factor of 9, but in practice (with mission and charging constraints) they achieve a time-averaged delta-BC that is closer to 2 (Foster, et al., 2017). A mission’s differential drag utility strongly depends on the operational constraints that has the capacity to limit the time-averaged delta-BC. A mission with a high maximum delta-BC of 5 or more can have an effective delta-BC of less than 1 due to operational constraints such as instrument and solar panel pointing, especially if this constraint results in holding an intermediate drag value for most of its orbit. CARA has developed tables that can be used as decision aids to advise missions-in-development about the best way to utilize their differential drag capabilities. For missions below 560 km with the operational flexibility to devote multiple days to holding a high-drag configuration (or a sufficiently high drag ratio to compensate for limitations on that time), they are -- more likely than not -- able to successfully remediate high-risk conjunctions. Conversely, missions that do not meet these exacting criteria -- most missions -- can instead be advised to use on-board propulsion systems to perform RMMs, or to turn their minimum-area face towards the approach vector, thereby reducing Pc at the moment of conjunction due to the decreased Hard-Body Radius (HBR), that is a strongly correlated variable in the Pc calculations. (NASA, 2023)

conjunction assessment↗
NASA NTRSDate not supplied

Decision Aid for Conjunction Risk Mitigation by Differential Drag

In the previous five years, the rate of conjunctions that the NASA Conjunction Assessment Risk Analysis (CARA) team processed and analyzed has more than tripled. (NASA CARA, 2024) New missions in the early development phases are now required to plan for dealing with conjunctions under the present space environment, and also projecting forward into a future likely with even further increased utilization of the space environment. Some missions are investigating the possibility of using differential drag to remediate conjunctions without expending limited fuel or for missions without propulsive capabilities. The NASA CARA team studied the historical record of conjunctions to evaluate the circumstances under which differential drag may be successfully applied and have developed a series of tables to use as a decision aid for missions considering differential drag. CARA records all conjunctions of their protected payloads, with historical records starting in 2005 (with significant conjunction events starting to occur on or after 2013). From this record, approximately 7,300 had a probability of collision (Pc) greater than 1 in 10,000, the nominal requirement for a risk mitigation maneuver (RMM) to be made per NASA Procedural Requirements (NPR) 8079.1 (NASA, 2023), at 3 days prior to the time of closest approach, the time analyzed for differential drag efficacy. CARA’s maneuver trade space tool (MTS) was used to prop-agate the primary satellite forward from that decision point with varying degrees of increase to ballistic coefficient (BC), and then recalculate the Pc to evaluate whether or not the conjunction was mitigated (Pc < 3E-6). These results were then binned and sorted along several axes, including altitude, amount of delta-BC, and (pre-maneuver) rate of energy dissipation, to identify underlying patterns. The altitude plot is shown in Figure 1. We found that differential drag was most successful for satellites with perigees below 560 km, and which could adopt an average delta-BC of 2 or greater (that is, increasing their ballistic coefficient by a factor of 3). However, this is a difficult threshold for a mission to clear; very few spacecraft are capable of adopting a high-drag configuration for 72 hours continuously. Planet’s Dove spacecraft use differential drag to remediate conjunctions (Griffith, et al., 2021), and they have a maximum delta-BC factor of 9, but in practice (with mission and charging constraints) they achieve a time-averaged delta-BC that is closer to 2 (Foster, et al., 2017). In contrast, a NASA mission in development reached out to CARA to evaluate the utility of differential drag to remediate potential conjunctions for a spacecraft which is capable of a similar high delta-BC, but with operational constraints that limit their time-averaged delta-BC to less than 1. CARA has developed tables that can be used as decision aids to advise missions-in-development about the best way to utilize their differential drag capabilities. For missions below 560 km with the operational flexibility to devote multiple days to holding a high-drag configuration (or a sufficiently high drag ratio to compensate for limitations on that time), they are able to successfully remediate high-risk conjunctions. Conversely, missions that do not meet these ex-acting criteria – most missions – can instead be advised to use on-board propulsion systems to perform RMMs or to turn their minimum-area face towards the approach vector, thereby reducing Pc at the moment of conjunction. (NASA, 2023)

risk mitigation↗
NASA NTRS2018

Spatial Representativeness Error in the Ground-Level Observation Networks for Black Carbon Radiation Absorption

There is high uncertainty in the direct radiative forcing of black carbon (BC), an aerosol that strongly absorbs solar radiation. The observation-constrained estimate, which is several times larger than the bottom-up estimate, is influenced by the spatial representativeness error due to the mesoscale inhomogeneity of the aerosol fields and the relatively low resolution of global chemistry-transport models. Here we evaluated the spatial representativeness error for two widely used observational networks (AErosol RObotic NETwork and Global Atmosphere Watch) by downscaling the geospatial grid in a global model of BC aerosol absorption optical depth to 0.1° × 0.1°. Comparing the models at a spatial resolution of 2° × 2° with BC aerosol absorption at AErosol RObotic NETwork sites (which are commonly located near emission hot spots) tends to cause a global spatial representativeness error of 30%, as a positive bias for the current top-down estimate of global BC direct radiative forcing. By contrast, the global spatial representativeness error will be 7% for the Global Atmosphere Watch network, because the sites are located in such a way that there are almost an equal number of sites with positive or negative representativeness error.

Wang, Rong↗
DOE OSTI2021

Cryo-EM structures of engineered active bc 1- cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes

Respiratory electron transport complexes are organized as individual entities or combined as large supercomplexes (SC). Gram-negative bacteria deploy a mitochondrial-like cytochrome (cyt) bc 1 (Complex III, CIII 2 ), and may have specific cbb 3 -type cyt c oxidases (Complex IV, CIV) instead of the canonical aa 3 -type CIV. Electron transfer between these complexes is mediated by soluble ( c 2 ) and membrane-anchored ( c y ) cyts. Here, we report the structure of an engineered bc 1 - cbb 3 type SC (CIII 2 CIV, 5.2Å resolution) and three conformers of native CIII 2 (3.3 Å resolution). The SC is active in vivo and in vitro, contains all catalytic subunits and cofactors, and two extra transmembrane helices attributed to cyt c y and the assembly factor CcoH. The cyt c y is integral to SC, its cyt domain is mobile and it conveys electrons to CIV differently than cyt c 2 . The successful production of a native-like functional SC and determination of its structure illustrate the characteristics of membrane-confined and membrane-external respiratory electron transport pathways in Gram-negative bacteria.

42 ENGINEERING↗
DOE OSTI2021

Long-lived Bell states in an array of optical clock qubits

The generation of long-lived entanglement on an optical clock transition is a key requirement to unlocking the promise of quantum metrology. Arrays of neutral atoms constitute a capable quantum platform for accessing such physics, where Rydberg-based interactions may generate entanglement between individually controlled and resolved atoms. To this end, we leverage the programmable state preparation afforded by optical tweezers along with the efficient strong confinement of a 3d optical lattice to prepare an ensemble of strontium atom pairs in their motional ground state. We engineer global single-qubit gates on the optical clock transition and two-qubit entangling gates via adiabatic Rydberg dressing, enabling the generation of Bell states, $|\psi{\rangle}$ $= \frac{1}{\sqrt{2}}(|gg\rangle$ $+ i|ee\rangle{)}$, with a fidelity of $\mathcal{F}$ = 92.8(2:0)%. For use in quantum metrology, it is furthermore critical that the resulting entanglement be long lived; we find that the coherence of the Bell state has a lifetime of $τ_{bc}$ = 4:2(6) s via parity correlations and simultaneous comparisons between entangled and unentangled ensembles. Such Bell states can be useful for enhancing metrological stability and bandwidth. Further rearrangement of hundreds of atoms into arbitrary configurations using optical tweezers will enable implementation of many-qubit gates and cluster state generation, as well as explorations of the transverse field Ising model and Hubbard models with entangled or finite-range-interacting tunnellers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Small Molecule Activation with Intramolecular “Inverse” Frustrated Lewis Pairs

The intramolecular “inverse” frustrated Lewis pairs (FLPs) of general formula 1-BR 2 -2-[(Me 2 N) 2 C=N]-C 6 H 4 (3-6) [BR 2 = BMes 2 (3), BC 12 H 8 , (4), BBN (5), BBNO (6)] were synthesized and structurally characterized by multinuclear NMR spectroscopy and X-ray analysis. Furthermore, these novel types of pre-organized FLPs, featuring strongly basic guanidino units rigidly linked to weakly Lewis acidic boryl moieties via an ortho-phenylene linker, are capable of activating H-H, C-H, N-H, O-H, Si-H, B-H and C=O bonds. 4 and 5 deprotonated terminal alkynes to form the zwitterionic borates 1-(RC≡C-BR 2 )-2-[(Me 2 N) 2 C=NH]-C 6 H 4 (R = Ph, H) and reacted with ammonia, BnNH 2 and pyrrolidine, to generate the adducts 1-(R 2 HN→BR 2 )-2-[(Me 2 N) 2 C=NH]-C 6 H 4 , where the N-H functionality is activated by intramolecular H-bond interactions. In addition, 5 was found to rapidly add across the double bond of H 2 CO, PhCHO and PhNCO to form cyclic zwitterionic guanidinium borates in excellent yields. Likewise, 5 is capable of cleaving H 2 , HBPin and PhSiH 3 to form various amino boranes. Collectively, the results demonstrate that these new types of intramolecular FLPs featuring weakly Lewis acidic boryl and strongly basic guanidino moieties are as potent as conventional intramolecular FLPs with strongly Lewis acidic units in activating small molecules.

08 HYDROGEN↗
DOE OSTI2025

Corrigendum to “The Emissions Model Intercomparison Project (Emissions-MIP): quantifying model sensitivity to emission characteristics” published in Atmos. Chem. Phys., 23, 14779–14799, 2023

Anthropogenic emissions of aerosols and precursor compounds are known to significantly affect the energy balance of the Earth–atmosphere system, alter the formation of clouds and precipitation, and have a substantial impact on human health and the environment. Global models are an essential tool for examining the impacts of these emissions. In this study, we examine the sensitivity of model results to the assumed height of SO 2 injection, seasonality of SO 2 and black carbon (BC) particulate emissions, and the assumed fraction of SO 2 emissions that is injected into the atmosphere as particulate phase sulfate (SO 4 ) in 11 climate and chemistry models, including both chemical transport models and the atmospheric component of Earth system models. We find large variation in atmospheric lifetime across models for SO 2 , SO 4 , and BC, with a particularly large relative variation for SO 2 , which indicates that fundamental aspects of atmospheric sulfur chemistry remain uncertain. Of the perturbations examined in this study, the assumed height of SO 2 injection had the largest overall impacts, particularly on global mean net radiative flux (maximum difference of -0.35?W?m-2), SO2 lifetime over Northern Hemisphere land (maximum difference of 0.8?d), surface SO 2 concentration (up to 59?% decrease), and surface sulfate concentration (up to 23?% increase). Emitting SO 2 at height consistently increased SO 2 and SO 4 column burdens and shortwave cooling, with varying magnitudes, but had inconsistent effects across models on the sign of the change in implied cloud forcing. The assumed SO 4 emission fraction also had a significant impact on net radiative flux and surface sulfate concentration. Because these properties are not standardized across models this is a source of inter-model diversity typically neglected in model intercomparisons. These results imply a need to ensure that anthropogenic emission injection height and SO 4 emission fraction are accurately and consistently represented in global models.

Ahsan, Hamza [Pacific Northwest National Laborator↗
NASA NTRS2023

The Emissions Model Intercomparison Project (Emissions-MIP): Quantifying Model Sensitivity to Emission Characteristics

Anthropogenic emissions of aerosols and precursor compounds are known to significantly affect the energy balance of the Earth–atmosphere system, alter the formation of clouds and precipitation, and have a substantial impact on human health and the environment. Global models are an essential tool for examining the impacts of these emissions. In this study, we examine the sensitivity of model results to the assumed height of SO 2 injection, seasonality of SO 2 and black carbon (BC) particulate emissions, and the assumed fraction of SO 2 emissions that is injected into the atmosphere as particulate phase sulfate (SO 4 ) in 11 climate and chemistry models, including both chemical transport models and the atmospheric component of Earth system models. We find large variation in atmospheric lifetime across models for SO 2 , SO 4 , and BC, with a particularly large relative variation for SO 2 , which indicates that fundamental aspects of atmospheric sulfur chemistry remain uncertain. Of the perturbations examined in this study, the assumed height of SO 2 injection had the largest overall impacts, particularly on global mean net radiative flux (maximum difference of −0.35 W m −2 ), SO 2 lifetime over Northern Hemisphere land (maximum difference of 0.8 d), surface SO 2 concentration (up to 59 % decrease), and surface sulfate concentration (up to 23 % increase). Emitting SO 2 at height consistently increased SO 2 and SO 4 column burdens and shortwave cooling, with varying magnitudes, but had inconsistent effects across models on the sign of the change in implied cloud forcing. The assumed SO 4 emission fraction also had a significant impact on net radiative flux and surface sulfate concentration. Because these properties are not standardized across models this is a source of inter-model diversity typically neglected in model intercomparisons. These results imply a need to ensure that anthropogenic emission injection height and SO 4 emission fraction are accurately and consistently represented in global models.

Emissions Model Intercomparison Project↗
DOE OSTI2024

Aerosol hygroscopicity over the southeast Atlantic Ocean during the biomass burning season – Part 1: From the perspective of scattering enhancement​​​​​​​

Aerosol hygroscopicity plays a vital role in aerosol radiative forcing. One key parameter describing hygroscopicity is the scattering enhancement factor, f(RH), defined as the ratio of the scattering coefficient at humidified relative humidity (RH) to its dry value. Here, we utilize the f(80 %) from ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) 2016 and 2018 airborne measurements to investigate the hygroscopicity of aerosols, its vertical distribution, its relationship with chemical composition, and its sensitivity to organic aerosol (OA) hygroscopicity over the southeast Atlantic (SEA) Ocean during the biomass burning (BB) season. We found that aerosol hygroscopicity remains steady above 2 km, with a mean f(80 %) of 1.40 ± 0.17. Below 2 km, aerosol hygroscopicity increases with decreasing altitude, with a mean f(80 %) of 1.51 ± 0.22, consistent with higher values of BB aerosol hygroscopicity found in the literature. The hygroscopicity parameter of OA (κ OA ) is retrieved from the Mie model with a mean value of 0.11 ± 0.08, which is in the middle to upper range compared to the literature. Higher OA hygroscopicity is related to aerosols that are more aged, oxidized, and present at lower altitudes. The enhanced biomass burning aerosol (BBA) hygroscopicity at lower altitudes is mainly due to a lower OA fraction, increased sulfate fraction, and greater κ OA at lower altitudes. We propose a parameterization that quantifies f(RH) with chemical composition and κOA based on Mie simulation of internally mixed OA–(NH 4 ) 2 SO 4 –BC mixtures. The good agreement between the predictions and the ORACLES measurements implies that the aerosols in the SEA during the BB season can be largely represented by the OA–(NH 4 ) 2 SO 4 –BC internal mixture with respect to the f(RH) prediction. The sensitivity of f(RH) to κ OA indicates that applying a constant κ OA is only suitable when the OA fraction is low and κ OA shows limited variation. However, in situations deviating these two criteria, κ OA can notably impact scattering coefficients and aerosol radiative effect; therefore, accounting for κ OA variability is recommended.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

Evaluation of preindustrial to present-day black carbon and its albedo forcing from Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

As part of the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP), we evaluate the historical black carbon (BC) aerosols simulated by 8 ACCMIP models against observations including 12 ice core records, long-term surface mass concentrations, and recent Arctic BC snowpack measurements. We also estimate BC albedo forcing by performing additional simulations using offline models with prescribed meteorology from 1996-2000. We evaluate the vertical profile of BC snow concentrations from these offline simulations using the recent BC snowpack measurements. Despite using the same BC emissions, the global BC burden differs by approximately a factor of 3 among models due to differences in aerosol removal parameterizations and simulated meteorology: 34 Gg to 103 Gg in 1850 and 82 Gg to 315 Gg in 2000. However, the global BC burden from preindustrial to present-day increases by 2.5-3 times with little variation among models, roughly matching the 2.5-fold increase in total BC emissions during the same period.We find a large divergence among models at both Northern Hemisphere (NH) and Southern Hemisphere (SH) high latitude regions for BC burden and at SH high latitude regions for deposition fluxes. The ACCMIP simulations match the observed BC surface mass concentrations well in Europe and North America except at Ispra. However, the models fail to predict the Arctic BC seasonality due to severe underestimations during winter and spring. The simulated vertically resolved BC snow concentrations are, on average, within a factor of 2-3 of the BC snowpack measurements except for Greenland and the Arctic Ocean. For the ice core evaluation, models tend to adequately capture both the observed temporal trends and the magnitudes at Greenland sites. However, models fail to predict the decreasing trend of BC depositions/ice core concentrations from the 1950s to the 1970s in most Tibetan Plateau ice cores. The distinct temporal trend at the Tibetan Plateau ice cores indicates a strong influence from Western Europe, but the modeled BC increases in that period are consistent with the emission changes in Eastern Europe, the Middle East, South and East Asia. At the Alps site, the simulated BC suggests a strong influence from Europe, which agrees with the Alps ice core observations. At Zuoqiupu on the Tibetan Plateau, models successfully simulate the higher BC concentrations observed during the non-monsoon season compared to the monsoon season but overpredict BC in both seasons. Despite a large divergence in BC deposition at two Antarctic ice core sites, some models with a BC lifetime of less than 7 days are able to capture the observed concentrations. In 2000 relative to 1850, globally and annually averaged BC surface albedo forcing from the offline simulations ranges from 0.014 to 0.019Wm−2 among the ACCMIP models. Comparing offline and online BC albedo forcings computed by some of the same models, we find that the global annual mean can vary by up to a factor of two because of different aerosol models or different BC-snow parameterizations and snow cover. The spatial distributions of the offline BC albedo forcing in 2000 show especially high BC forcing (i.e., over 0.1W/sq. m) over Manchuria, Karakoram, and most of the Former USSR. Models predict the highest global annual mean BC forcing in 1980 rather than 2000, mostly driven by the high fossil fuel and biofuel emissions in the Former USSR in 1980.

snow cover↗