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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

Mud Volcanoes in the Martian Lowlands: Potential Windows to Fluid-Rich Samples from Depth

The regional setting of the Chryse-Acidalia area augurs well for a fluid-rich subsurface, accumulation of diverse rock types reflecting the wide catchment area, astrobiological prospectivity, and mud volcanism. This latter provides a mechanism for transporting samples from relatively great depth to the surface. Since mud volcanoes are not associated with extreme heat or shock pressures, materials they transport to the surface are likely to be relatively unaltered; thus such materials could contain interpretable remnants of potential martian life (e.g., organic chemical biomarkers, mineral biosignatures, or structural remains) as well as unmetamorphosed rock samples. None of the previous landings on Mars was located in an area with features identified as potential mud volcanoes (Fig. 3), but some of these features may offer targets for future missions aimed at sampling deep fluid-rich strata with potential habitable zones.

Oehler, Dorothy Z.↗

The Auto-Gopher: A Wireline Rotary-Percussive Deep Sampler

Accessing regions on planetary bodies that potentially preserved biosignatures or are presently habitable is vital to meeting NASA solar system "Search for Life" exploration objectives. To address these objectives, a wireline deep rotary-percussive corer called Auto-Gopher was developed. The percussive action provides effective material fracturing and the rotation provides effective cuttings removal. To increase the drill's penetration rate, the percussive and rotary motions are operated simultaneously. Initially, the corer was designed as a percussive mechanism for sampling ice and was demonstrated in 2005 in Antarctica reaching about 2 m deep. The lessons learned suggested the need to use a combination of rotation and hammering to maximize the penetration rate. This lesson was implemented into the Auto-Gopher-I deep drill which was demonstrated to reach 3-meter deep in gypsum. The average drilling power that was used has been in the range of 100-150 Watt, while the penetration rate was approximately 2.4 m/hr. Recently, a task has started with the goal to develop Auto-Gopher-II that is equipped to execute all the necessary functions in a single drilling unit. These functions also include core breaking, retention and ejection in addition drilling. In this manuscript, the Auto-Gopher-II, its predecessors and their capability are described and discussed.

drilling↗

Many but not all deep neural network audio models capture brain responses and exhibit correspondence between model stages and brain regions

Models that predict brain responses to stimuli provide one measure of understanding of a sensory system and have many potential applications in science and engineering. Deep artificial neural networks have emerged as the leading such predictive models of the visual system but are less explored in audition. Prior work provided examples of audio-trained neural networks that produced good predictions of auditory cortical fMRI responses and exhibited correspondence between model stages and brain regions, but left it unclear whether these results generalize to other neural network models and, thus, how to further improve models in this domain. We evaluated model-brain correspondence for publicly available audio neural network models along with in-house models trained on 4 different tasks. Most tested models outpredicted standard spectromporal filter-bank models of auditory cortex and exhibited systematic model-brain correspondence: Middle stages best predicted primary auditory cortex, while deep stages best predicted non-primary cortex. However, some state-of-the-art models produced substantially worse brain predictions. Models trained to recognize speech in background noise produced better brain predictions than models trained to recognize speech in quiet, potentially because hearing in noise imposes constraints on biological auditory representations. The training task influenced the prediction quality for specific cortical tuning properties, with best overall predictions resulting from models trained on multiple tasks. The results generally support the promise of deep neural networks as models of audition, though they also indicate that current models do not explain auditory cortical responses in their entirety.

59 BASIC BIOLOGICAL SCIENCES↗

Peak2Patch: High-Fidelity Functional Group Identification through Attention-Based Fusion of Infrared and Mass Spectra

Identifying molecular structure based on spectroscopic readings is a key task in a variety of chemical and biological applications. Common spectroscopy techniques, such as Infrared (IR) Spectroscopy and Mass Spectrometry (MS), provide detailed information on the structure of molecular compounds but nonetheless require expert-level knowledge to decode. Machine learning has emerged as a potential solution for automating structure prediction from chemical spectra; however, current approaches generally focus on single sensor modalities, neglecting to leverage the complementary information contained within differing spectra. In this paper, we introduce Peak2Patch, a novel approach to fusion-enhanced prediction of functional groups from IR and mass spectra. First, we perform a detailed comparison of backbone networks for encoding both sparse mass spectra and dense IR spectra and demonstrate the superior performance of transformer neural networks over current state-of-the-art convolutional neural networks. Second, we evaluate three broad categories of fusion: early (raw feature), middle (deep feature), and late (decision) fusion, demonstrating the potential of a deep feature fusion-based approach. Lastly, we present Peak2Patch, our attention-based fusion scheme, which leverages cross-attention to mix features between encoded tokens of the two modalities. We validate our approach on a publicly available multimodal spectroscopic data set of 790k simulated molecules, demonstrating a large improvement in functional group prediction over both the previous state-of-the-art and our own strong single-modal baselines.

Jacobson, Philip [Sandia National Laboratories (SN↗

Potential Activities and Long Lifetimes of Organic Carbon-Degrading Extracellular Enzymes in Deep Subsurface Sediments of the Baltic Sea

Heterotrophic microorganisms in marine sediments produce extracellular enzymes to hydrolyze organic macromolecules, so their products can be transported inside the cell and used for energy and growth. Therefore, extracellular enzymes may mediate the fate of organic carbon in sediments. The Baltic Sea Basin is a primarily depositional environment with high potential for organic matter preservation. The potential activities of multiple organic carbon-degrading enzymes were measured in samples obtained by the International Ocean Discovery Program Expedition 347 from the Little Belt Strait, Denmark, core M0059C. Potential maximum hydrolysis rates (V max ) were measured at depths down to 77.9mbsf for the following enzymes: alkaline phosphatase, β- d -xylosidase, β- d -cellobiohydrolase, N-acetyl-β- d -glucosaminidase, β-glucosidase, α-glucosidase, leucyl aminopeptidase, arginyl aminopeptidase, prolyl aminopeptidase, gingipain, and clostripain. Extracellular peptidase activities were detectable at depths shallower than 54.95mbsf, and alkaline phosphatase activity was detectable throughout the core, albeit against a relatively high activity in autoclaved sediments. β-glucosidase activities were detected above 30mbsf; however, activities of other glycosyl hydrolases (β-xylosidase, β-cellobiohydrolase, N-acetyl-β-glucosaminidase, and α-glucosidase) were generally indistinguishable from zero at all depths. These extracellular enzymes appear to be extremely stable: Among all enzymes, a median of 51.3% of enzyme activity was retained after autoclaving for an hour. We show that enzyme turnover times scale with the inverse of community metabolic rates, such that enzyme lifetimes in subsurface sediments, in which metabolic rates are very slow, are likely to be extraordinarily long. A back-of-the-envelope calculation suggests enzyme lifetimes are, at minimum, on the order of 230days, and may be substantially longer. These results lend empirical support to the hypothesis that a population of subsurface microbes persist by using extracellular enzymes to slowly metabolize old, highly degraded organic carbon.

54 ENVIRONMENTAL SCIENCES↗

Towards deep computer vision for in-line defect detection in polymer electrolyte membrane fuel cell materials

Polymer Electrolyte Membrane (PEM) fuel cells are a promising source of alternative energy. However, their production is limited by a lack of well-established methods for quality control of their constituent materials like the membrane-electrode assembly during roll-to-roll manufacturing. One potential solution is the implementation of deep learning methods to detect unwanted defects through their detection in scanned images. Here we explore the detection of defects like scratches, pinholes, and scuffs in a sample dataset of PEM optical images using two deep learning algorithms: Patch Distribution Modeling (PaDiM) for unsupervised anomaly detection and Faster-RCNN for supervised object detection. Both methods achieve scores on performance metrics (ROC-AUC and PRO-AUC for PaDiM and AP for Faster-RCNN) that are comparable to their scores on benchmark datasets. These methods also have the potential to detect a wider range of defects compared to IR thermography and previous optical inspection methods. Overall, deep learning shows promise at detecting relevant defects of interest and has the potential to achieve real-time defect detection.

30 DIRECT ENERGY CONVERSION↗

NASA's Space Launch System: A Transformative Capability for Exploration

Currently making rapid progress toward first launch in 2018, NASA's exploration-class Space Launch System (SLS) represents a game-changing new spaceflight capability, enabling mission profiles that are currently impossible. Designed to launch human deep-space missions farther into space than ever before, the initial configuration of SLS will be able to deliver more than 70 metric tons of payload to low Earth orbit (LEO), and will send NASA's new Orion crew vehicle into lunar orbit. Plans call for the rocket to evolve on its second flight, via a new upper stage, to a more powerful configuration capable of lofting 105 t to LEO or comanifesting additional systems with Orion on launches to the lunar vicinity. Ultimately, SLS will evolve to a configuration capable of delivering more than 130 t to LEO. SLS is a foundational asset for NASA's Journey to Mars, and has been recognized by the International Space Exploration Coordination Group as a key element for cooperative missions beyond LEO. In order to enable human deep-space exploration, SLS provides unrivaled mass, volume, and departure energy for payloads, offering numerous benefits for a variety of other missions. For robotic science probes to the outer solar system, for example, SLS can cut transit times to less than half that of currently available vehicles, producing earlier data return, enhancing iterative exploration, and reducing mission cost and risk. In the field of astrophysics, SLS' high payload volume, in the form of payload fairings with a diameter of up to 10 meters, creates the opportunity for launch of large-aperture telescopes providing an unprecedented look at our universe, and offers the ability to conduct crewed servicing missions to observatories stationed at locations beyond low Earth orbit. At the other end of the spectrum, SLS opens access to deep space for low-cost missions in the form of smallsats. The first launch of SLS will deliver beyond LEO 13 6U smallsat payloads, representing multiple disciplines, including three spacecraft competitively chosen through NASA's Centennial Challenges competition. Private organizations have also identified benefits of SLS for unique public-private partnerships. This paper will give an overview of SLS' capabilities and its current status, and discuss the vehicle's potential for human exploration of deep space and other game-changing utilization opportunities.

Robinson, Kimberly F.↗

NASA's Space Launch System: A Transformative Capability for Exploration

Currently making rapid progress toward first launch in 2018, NASA's exploration-class Space Launch System (SLS) represents a game-changing new spaceflight capability, enabling mission profiles that are currently impossible. Designed to launch human deep-space missions farther into space than ever before, the initial configuration of SLS will be able to deliver more than 70 metric tons of payload to low Earth orbit (LEO), and will send NASA's new Orion crew vehicle into lunar orbit. Plans call for the rocket to evolve on its second flight, via a new upper stage, to a more powerful configuration capable of lofting 105 tons to LEO or co-manifesting additional systems with Orion on launches to the lunar vicinity. Ultimately, SLS will evolve to a configuration capable of delivering more than 130 tons to LEO. SLS is a foundational asset for NASA's Journey to Mars, and has been recognized by the International Space Exploration Coordination Group as a key element for cooperative missions beyond LEO. In order to enable human deep-space exploration, SLS provides unrivaled mass, volume, and departure energy for payloads, offering numerous benefits for a variety of other missions. For robotic science probes to the outer solar system, for example, SLS can cut transit times to less than half that of currently available vehicles, producing earlier data return, enhancing iterative exploration, and reducing mission cost and risk. In the field of astrophysics, SLS' high payload volume, in the form of payload fairings with a diameter of up to 10 meters, creates the opportunity for launch of large-aperture telescopes providing an unprecedented look at our universe, and offers the ability to conduct crewed servicing missions to observatories stationed at locations beyond low Earth orbit. At the other end of the spectrum, SLS opens access to deep space for low-cost missions in the form of smallsats. The first launch of SLS will deliver beyond LEO 13 6-unit smallsat payloads, representing multiple disciplines, including three spacecraft competitively chosen through NASA's Centennial Challenges competition. Private organizations have also identified benefits of SLS for unique public-private partnerships. This paper will give an overview of SLS' capabilities and its current status, and discuss the vehicle's potential for human exploration of deep space and other game-changing utilization opportunities.

Robinson, Kimberly F.↗

Crystallization of the P 3 Sn 4 Phase upon Cooling P 2 Sn 5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

We performed molecular dynamics simulations to study the crystallization of the P3Sn4 phase from P 2 Sn 5 liquid using a machine learning (ML) interatomic potential with desirable efficiency and accuracy. Our results capture the liquid properties of P 2 Sn 5 at 1300 K, which is well above the melting temperature. The phase separation and crystallization are observed when P 2 Sn 5 liquid is cooled down below 832 and 505 K, respectively. The simulation results are in good agreement with the experimentally observed phase transformation behaviors and provide useful insights into the complex nucleation and crystallization process at the details of atomistic scale. Our work also demonstrated that ML interatomic potentials based on neural network deep learning are robust and capable of accurately describing the energetics and kinetics of complex materials through molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reproducibility of Radiokrypton in Deep Desert Aquifers: Insights from a Decade of Research

Great technical advances have been achieved since the first atom-trap trace analysis (ATTA) -based radiokrypton application in Egypt, where 1 Myr old groundwater was discovered. Beyond advances in ATTA measurement capabilities, including reduction in sample size, analysis duration, and analytical uncertainty, major progress has been achieved over the past two decades in the sample collection and preparation techniques. These advances paved the expansion of ATTA-based noble gas applications to many other aquifers worldwide, illuminating the nature and flow pattern of deep groundwater systems. While the potential of this new analytical technique for old groundwater dating is well recognized, another important aspect yet to be examined is the reproducibility of radiokrypton in aquifers over time, i.e., how representative is a discrete groundwater sample, collected at a specific time and location, for the natural groundwater system? The likelihood of a negative answer is increased by flow-field disturbance in aquifers following massive groundwater abstraction. Here, in this work, we present repeated 81 Kr sampling and measurements in twenty-one sites over Israel, mostly of deep (up to 1 km) wells tapping confined aquifers in the arid to hyperarid Negev desert. The results demonstrate that radiokrypton measurements are indeed reproducible, even in cases where samples were collected as long as nine years apart and from highly productive (∼1 Mm 3 /yr order) pumping wells. Furthermore, many of the repeated measurements in this study (17 out of the 21 sites) were conducted with different ATTA Instruments in two different laboratories using slightly different sampling, preparation, and analysis techniques, yet with an overall good agreement. The consistency in the ATTA-based 81 Kr-dating results over time highlights the robustness of this state-of-the-art technique as a tool to unravel groundwater flow patterns and encourages further applications to many other yet-to-be-explored deep aquifers.

atom-trap trace analysis↗

NASA's Space Launch System: A Transformative Capability for Deep Space Missions

Already making substantial progress toward its first launches, NASA’s Space Launch System (SLS) exploration-class launch vehicle presents game-changing new opportunities in spaceflight, enabling human exploration of deep space, as well as a variety of missions and mission profiles that are currently impossible. Today, the initial configuration of SLS, able to deliver more than 70 metric tons of payload to low Earth orbit (LEO), is well into final production and testing ahead of its planned first flight, which will send NASA’s new Orion crew vehicle around the moon and will deploy 13 CubeSats, representing multiple disciplines, into deep space. At the same time, production work is already underway toward the more-capable Block 1B configuration, planned to debut on the second flight of SLS, and capable of lofting 105 tons to LEO or of co-manifesting large exploration systems with Orion on launches to the lunar vicinity. Progress being made on the vehicle for that second flight includes initial welding of its core stage and testing of one of its engines, as well as development of new elements such as the powerful Exploration Upper Stage and the Universal Stage Adapter “payload bay.” Ultimately, SLS will evolve to a configuration capable of delivering more than 130 tons to LEO to support humans missions to Mars. In order to enable human deep-space exploration, SLS provides unrivaled mass, volume, and departure energy for payloads, offering numerous benefits for a variety of other missions. For robotic science probes to the outer solar system, for example, SLS can cut transit times to less than half that of currently available vehicles or substantially increased spacecraft mass. In the field of astrophysics, SLS’ high payload volume, in the form of payload fairings with a diameter of up to 10 meters, creates the opportunity for launch of large-aperture telescopes providing an unprecedented look at our universe. This presentation will give an overview of SLS’ capabilities and its current status, and discuss the vehicle’s potential for human exploration of deep space and other game-changing utilization opportunities.

Creech, Stephen D.↗

A Performance-Based Comparison of Deep-Space Navigation using Optical-Communication and Conventional Navigation Techniques: Small Body Missions

Optical communications may be used in future NASA deep-space missions, resulting in much higher data transfer rates. Those optical communication links could also be used for navigation purposes. The performance of deep-space navigation for an asteroid flyby mission using ground-based optical tracking and conventional navigation techniques was investigated in this work. We present the results of variety of asteroid flyby scenarios including low phase and high phase approach angle flybys, one slow flyby in a Trojan tour mission, and also one slow flyby in a Psyche mission. In this task, four different types of observables were simulated, namely ground-based radiometric, spacecraft on-board optical, ground-based optical tracking of spacecraft (astrometry and 2-way range magnitude), and ground-based asteroid astrometry. Different combinations of these four types of observables were compared with currently in-practice ground-based radiometric/on-board optical measurements. The results showed that the ground-based optical tracking is promising and could be a potential candidate for future deep-space navigation. Precise astrometry is not possible for active comets.

McCandless, Sara Elizabeth↗

A Performance-Based Comparison of Deep-Space Navigation using Optical-Communication and Conventional Navigation Techniques: Small Body Missions

Optical communications may be used in future NASA deep-space missions, resulting in much higher data transfer rates. Those optical communication links could also be used for navigation purposes. The performance of deep-space navigation for an asteroid flyby mission using ground-based optical tracking and conventional navigation techniques was investigated in this work. We present the results of variety of asteroid flyby scenarios including low phase and high phase approach angle flybys, one slow flyby in a Trojan tour mission, and also one slow flyby in a Psyche mission. In this task, four different types of observables were simulated, namely ground-based radiometric, spacecraft on-board optical, ground-based optical tracking of spacecraft (astrometry and 2-way range magnitude), and ground-based asteroid astrometry. Different combinations of these four types of observables were compared with currently in-practice ground-based radiometric/on-board optical measurements. The results showed that the ground-based optical tracking is promising and could be a potential candidate for future deep-space navigation. Precise astrometry is not possible for active comets.

McCandless, Sarah Elizabeth↗

Near-Earth Object Exploration and Marco Polo-R

A major goal for NASA's human spaceflight program is to send astronauts to near-Earth asteroids (NEAs) in the coming decades. Missions to NEAs would undoubtedly provide a great deal of technical and engineering data on spacecraft operations for future human space exploration while conducting in-depth scientific examinations of these primitive objects. However, prior to sending human explorers to NEAs, robotic investigations of these bodies would be required in order to maximize operational efficiency and reduce mission risk. These precursor missions to NEAs would fill crucial strategic knowledge gaps concerning their physical characteristics that are relevant for human exploration of these relatively unknown destinations. Therefore robotic investigations of NEAs, such as ESA's Marco Polo-R sample return mission to 2008 EV5, would allow NASA and its international partners to gain critical operational experience in performing complex tasks (e.g., close proximity operations, surface sample collection, etc.) under microgravity conditions at or near the surface of a potential human destination. This would provide an important synergy between the worldwide Science and Exploration communities, which will be crucial for development of future international deep space exploration architectures and has potential benefits for future exploration of other destinations beyond low-Earth orbit.

Abell, Paul↗

Data and scripts associated with the manuscript "Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning"

This package contains the data and scripts used in "Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning" (Jiang et al., 2022). The data.zip file contains the flux tower and automated chamber observations used for developing the deep learning model for modeling soil respiration. The scripts.zip file contains the Jupyter notebooks and python scripts for preprocessing the data, training the deep learning models, and postprocessing the results. The src.zip contains the source code for training the deep learning model, performing mutual information analysis, and plotting functions. The trained_models.zip contains multiple folders used for hosting the trained deep-learning models and the associated soil respiration predictions. The whole process is performed using python. We include the REAMD.md to document the python package requirements.Soil respiration in dryland ecosystems is challenging to model due to its complex interactions with environmental drivers. Knowledge-guided deep learning provides a much more effective means of accurately representing these complex interactions than traditional Q10-based models. Mutual information analysis revealed that future soil temperature shares more information with soil respiration than past soil temperature, consistent with their clockwise diel hysteresis. We explicitly encoded diel hysteresis, soil drying, and soil rewetting effects on soil respiration dynamics in a newly designed Long Short Term Memory (LSTM) model. The model takes both past and future environmental drivers as inputs to predict soil respiration. The new LSTM model substantially outperformed three Q10-based models and the Community Land Model when reproducing the observed soil respiration dynamics in a semi-arid ecosystem. The new LSTM model clearly demonstrated its superiority for temporally extrapolating soil respiration dynamics, such that the resulting correlation with observational data is up to 0.7 while the correlations of both Q10-based models and the Community Land Model (CLM) are less than 0.4. Our results underscore the high potential for knowledge-guided deep learning to replace Q10-based soil respiration modules in Earth system models.

54 ENVIRONMENTAL SCIENCES↗

Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning

Soil respiration in dryland ecosystems is challenging to model due to its complex interactions with environmental drivers. Knowledge-guided deep learning provides a much more effective means of accurately representing these complex interactions than traditional Q10-based models. Mutual information analysis revealed that future soil temperature shares more information with soil respiration than past soil temperature, consistent with their clockwise diel hysteresis. We explicitly encoded diel hysteresis, soil drying, and soil rewetting effects on soil respiration dynamics in a newly designed Long Short Term Memory (LSTM) model. The model takes both past and future environmental drivers as inputs to predict soil respiration. The new LSTM model substantially outperformed three Q10-based models and the Community Land Model when reproducing the observed soil respiration dynamics in a semi-arid ecosystem. The new LSTM model clearly demonstrated its superiority for temporally extrapolating soil respiration dynamics, such that the resulting correlation with observational data is up to 0.7 while the correlations of the Q10-based models and the Community Land Model (CLM) are less than 0.4. Our results underscore the high potential for knowledge-guided deep learning to replace Q10-based soil respiration modules in Earth system models.

Jiang, Peishi↗

A Multi-Center Space Data System Prototype Based on CCSDS Standards

Deep space missions beyond earth orbit will require new methods of data communications in order to compensate for increasing Radio Frequency (RF) propagation delay. The Consultative Committee for Space Data Systems (CCSDS) standard protocols Spacecraft Monitor & Control (SM&C), Asynchronous Message Service (AMS), and Delay/Disruption Tolerant Networking (DTN) provide such a method. However, the maturity level of this protocol stack is insufficient for mission inclusion at this time. This Space Data System prototype is intended to provide experience which will raise the Technical Readiness Level (TRL) of this protocol set. In order to reduce costs, future missions can take advantage of these standard protocols, which will result in increased interoperability between control centers. This prototype demonstrates these capabilities by implementing a realistic space data system in which telemetry is published to control center applications at the Jet Propulsion Lab (JPL), the Marshall Space Flight Center (MSFC), and the Johnson Space Center (JSC). Reverse publishing paths for commanding from each control center are also implemented. The target vehicle consists of realistic flight computer hardware running Core Flight Software (CFS) in the integrated Power, Avionics, and Power (iPAS) Pathfinder Lab at JSC. This prototype demonstrates a potential upgrade path for future Deep Space Network (DSN) modification, in which the automatic error recovery and communication gap compensation capabilities of DTN would be exploited. In addition, SM&C provides architectural flexibility by allowing new service providers and consumers to be added efficiently anywhere in the network using the common interface provided by SM&C's Message Abstraction Layer (MAL). In FY 2015, this space data system was enhanced by adding telerobotic operations capability provided by the Robot API Delegate (RAPID) family of protocols developed at NASA. RAPID is one of several candidates for consideration and inclusion in a new international standard being developed by the CCSDS Telerobotic Operations Working Group. Software gateways for the purpose of interfacing RAPID messages with the existing SM&C based infrastructure were developed. Telerobotic monitor, control, and bridge applications were written in the RAPID framework, which were then tailored to the NAO telerobotic test article hardware, a product of Aldebaran Robotics.

Rich, Thomas M.↗

Transport and chemistry of isoprene and its oxidation products in deep convective clouds

Deep convective clouds can transport trace gases from the planetary boundary layer into the upper troposphere where subsequent chemistry may impact aerosol particle formation and growth. In this modelling study, we investigate processes that affect isoprene and its oxidation products injected into the upper troposphere by an isolated deep convective cloud in the Amazon. We run a photochemical box model with coupled cloud microphysics along hundreds of individual air parcel trajectories sampled from a cloud-resolving model simulation of a convective event. The box model simulates gas-phase chemical reactions, gas scavenging by liquid and ice hydrometeors, and turbulent dilution inside a deep convective cloud. The results illustrate the potential importance of gas uptake to anvil ice in regulating the intensity of the isoprene oxidation and associated low volatility organic vapour concentrations in the outflow. Isoprene transport and fate also depends on the abundance of lightning-generated nitrogen oxide radicals (NO x = NO + NO 2 ). If gas uptake on ice is efficient and lightning activity is low, around 30% of the boundary layer isoprene will survive to the cloud outflow after approximately one hour of transport, while all the low volatile oxidation products will be scavenged by the cloud hydrometeors. If lightning NO x is abundant and gas uptake by ice is inefficient, then all isoprene will be oxidised during transport or in the immediate outflow region, while several low volatility isoprene oxidation products will have elevated concentrations in the cloud outflow. Reducing uncertainties associated with the uptake of vapours on ice hydrometeors, especially HO 2 and oxygenated organics, is essential to improve predictions of isoprene and its oxidation products in deep convective outflows and their potential contribution to new particle formation and growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗