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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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DOE OSTI2019

Scalable Bayesian Nonparametric Clustering and Classification

We develop a scalable multi-step Monte Carlo algorithm for inference under a large class of nonparametric Bayesian models for clustering and classification. Each step is “embarrassingly parallel” and can be implemented using the same Markov chain Monte Carlo sampler. The simplicity and generality of our approach makes inference for a wide range of Bayesian nonparametric mixture models applicable to large datasets. Specifically, we apply the approach to inference under a product partition model with regression on covariates. We show results for inference with two motivating data sets: a large set of electronic health records (EHR) and a bank telemarketing dataset. We find interesting clusters and competitive classification performance relative to other widely used competing classifiers. Supplementary materials for this article are available online.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Molar-Mass-Dependent Partitioning of Polyethylene in Nanopores of Model Catalyst Supports from Small-Angle Neutron Scattering

Heterogeneous catalysis offers opportunities to enhance valorization of plastic waste via chemical recycling through control of the upcycled product distributions. Minimizing low-value light hydrocarbons is desired; however, fundamental insights into how to control selectivity are lacking. Here we use contrast variation with small-angle neutron scattering (SANS), model perdeuterated polyethylenes (dPEs), and a model liquid hydrocracking product (tetradecane) to quantify polymer partitioning within mesoporous silica (SBA-15). Polyethylene concentration within the mesopores is increased relative to the bulk solution, and this partitioning increases as the temperature increases. However, this polyethylene partitioning is maximized when the radius of gyration of the polymer chains is comparable to the SBA-15 pore size (10 nm). An increased partitioning at higher temperatures is attributed to entropically driven adsorption of PE within the mesopores. There is no observed preferential partitioning of hexatriacontane (a model oligomer) within the mesopores at the temperatures examined. Furthermore, these results suggest that pore size could promote the selective partitioning of polymer species into the mesopores by size. For plastic upcycling, pore-size-dependent partitioning should increase the probability for the reaction of long polymers over oligomeric and small-molecule polyolefin depolymerization products.

Adsorption↗

NASA NTRS1968

Energy dependence of energy partition in products of direct reactions - Crossed-beam studies and a new model.

Initial kinetic energy dependence of reaction energy distribution between direct ion-molecule reaction products internal and translational modes from crossed beam experiments

Herman, Z.↗

NASA NTRS1995

Seasonal variability of light availability and utilization in the Sargasso Sea

A 2 year time series of optical, biogeochemical, and physical parameters, taken near the island of Bermuda, is used to evaluate the sources of temporal variability in light avaliability and utilization in the Sargasso Sea. Integrated assessments of light availability are made by examining the depth of constant percent incident photosynthetically available radiation (% PAR) isolumes. To first order, changes in the depth %PAR isolumes were caused by physical processes: deep convection mixing in the winter which led to the spring bloom and concurrent shallowing of %PAR depths and the occurrence of anomalous thermohaline water masses during the summer and fall seasons. Spectral light availability variations are assessed using determinations of diffuse attenuation coefficient spectra which illustrates a significant seasonal cycle in colored detrital particulate and/or dissolved materials that is unrelated to changes in chlorophyll pigment concentrations. Temporal variations in the photosynthetic light utilization index Psi are used to assess vertically intergrated light utilization variations. Values of Psi are highly variable and show no apparent seasonal pattern which indicates that Psi is not simply a 'biogeochemical constant.' Determinations of in situ primary production rates and daily mean PAR fluxes are used to diagnose the relative role of light limitation in determining vertically integrated rates of primary production integral PP. The mean depth of the light-saturated zone (the vertical region where the daily mean PAR flux was greater than or equal to the saturation irradiance) is only approximately 40 m, although more than one half of interal PP occurred within this zone. Production model results illustrate that accurate predictions of integral PP are dependent upon rates of light-saturated production rather than upon indices of light limitation. It seems unlikely that significant improvements in simple primary production models will come from the partitioning of the Earth's seas into biogeochemical provinces.

Siegel, David A.↗

NASA NTRS2014

Interannual Variation in Phytoplankton Class-Specific Primary Production at a Global Scale

We used the NASA Ocean Biogeochemical Model (NOBM) combined with remote sensing data via assimilation to evaluate the contribution of 4 phytoplankton groups to the total primary production. First we assessed the contribution of each phytoplankton groups to the total primary production at a global scale for the period 1998-2011. Globally, diatoms were the group that contributed the most to the total phytoplankton production (50, the equivalent of 20 PgC y-1. Coccolithophores and chlorophytes each contributed to 20 (7 PgC y-1 of the total primary production and cyanobacteria represented about 10 (4 PgC y(sub-1) of the total primary production. Primary production by diatoms was highest in high latitude (45) and in major upwelling systems (Equatorial Pacific and Benguela system). We then assessed interannual variability of this group-specific primary production over the period 1998-2011. Globally the annual relative contribution of each phytoplankton groups to the total primary production varied by maximum 4 (1-2 PgC y-1. We assessed the effects of climate variability on the class-specific primary production using global (i.e. Multivariate El Nio Index, MEI) and regional climate indices (e.g. Southern Annular Mode (SAM), Pacific Decadal Oscillation (PDO) and North Atlantic Oscillation (NAO)). Most interannual variability occurred in the Equatorial Pacific and was associated with climate variability as indicated by significant correlation (p 0.05) between the MEI and the class-specific primary production from all groups except coccolithophores. In the Atlantic, climate variability as indicated by NAO was significantly correlated to the primary production of 2 out of the 4 groups in the North Central Atlantic (diatomscyanobacteria) and in the North Atlantic (chlorophytes and coccolithophores). We found that climate variability as indicated by SAM had only a limited effect on the class-specific primary production in the Southern Ocean. These results provide a modeling and data assimilation perspective to phytoplankton partitioning of primary production and contribute to our understanding of the dynamics of the carbon cycle in the oceans at a global scale.

Chl-a↗

NASA NTRS2013

Interannual Variation in Phytoplankton Primary Production at a Global Scale

We used the NASA Ocean Biogeochemical Model (NOBM) combined with remote sensing data via assimilation to evaluate the contribution of four phytoplankton groups to the total primary production. First, we assessed the contribution of each phytoplankton groups to the total primary production at a global scale for the period 1998-2011. Globally, diatoms contributed the most to the total phytoplankton production ((is)approximately 50%, the equivalent of 20 PgC·y1). Coccolithophores and chlorophytes each contributed approximately 20% ((is) approximately 7 PgC·y1) of the total primary production and cyanobacteria represented about 10% ((is) approximately 4 PgC·y1) of the total primary production. Primary production by diatoms was highest in the high latitudes ((is) greater than 40 deg) and in major upwelling systems (Equatorial Pacific and Benguela system). We then assessed interannual variability of this group-specific primary production over the period 1998-2011. Globally the annual relative contribution of each phytoplankton groups to the total primary production varied by maximum 4% (1-2 PgC·y1). We assessed the effects of climate variability on group-specific primary production using global (i.e., Multivariate El Niño Index, MEI) and "regional" climate indices (e.g., Southern Annular Mode (SAM), Pacific Decadal Oscillation (PDO) and North Atlantic Oscillation (NAO)). Most interannual variability occurred in the Equatorial Pacific and was associated with climate variability as indicated by significant correlation (p (is) less than 0.05) between the MEI and the group-specific primary production from all groups except coccolithophores. In the Atlantic, climate variability as indicated by NAO was significantly correlated to the primary production of 2 out of the 4 groups in the North Central Atlantic (diatoms/cyanobacteria) and in the North Atlantic (chlorophytes and coccolithophores). We found that climate variability as indicated by SAM had only a limited effect on group-specific primary production in the Southern Ocean. These results provide a modeling and data assimilation perspective to phytoplankton partitioning of primary production and contribute to our understanding of the dynamics of the carbon cycle in the oceans at a global scale.

Coccolithophores↗

DOE OSTI2024

Controls on Stable Methane Isotope Values in Northern Peatlands and Potential Shifts in Values Under Permafrost Thaw Scenarios

Abstract Northern peatlands are a globally significant source of methane (CH 4 ), and emissions are projected to increase due to warming and permafrost loss. Understanding the microbial mechanisms behind patterns in CH 4 production in peatlands will be key to predicting annual emissions changes, with stable carbon isotopes (δ 13 C‐CH 4 ) being a powerful tool for characterizing these drivers. Given that δ 13 C‐CH 4 is used in top‐down atmospheric inversion models to partition sources, our ability to model CH 4 production pathways and associated δ 13 C‐CH 4 values is critical. We sought to characterize the role of environmental conditions, including hydrologic and vegetation patterns associated with permafrost thaw, on δ 13 C‐CH 4 values from high‐latitude peatlands. We measured porewater and emitted CH 4 stable isotopes, pH, and vegetation composition from five boreal‐Arctic peatlands. Porewater δ 13 C‐CH 4 was strongly associated with peatland type, with δ 13 C enriched values obtained from more minerotrophic fens (−61.2 ± 9.1‰) compared to permafrost‐free bogs (−74.1 ± 9.4‰) and raised permafrost bogs (−81.6 ± 11.5‰). Variation in porewater δ 13 C‐CH 4 was best explained by sedge cover, CH 4 concentration, and the interactive effect of peatland type and pH (r 2 = 0.50,p < 0.001). Emitted δ 13 C‐CH 4 varied greatly but was positively correlated with porewater δ 13 C‐CH 4 . We calculated a mixed atmospheric δ 13 C‐CH 4 value for northern peatlands of −65.3 ± 7‰ and show that this value is more sensitive to landscape drying than wetting under permafrost thaw scenarios. Our results suggest northern peatland δ 13 C‐CH 4 values are likely to shift in the future which has important implications for source partitioning in atmospheric inversion models.

Environmental Sciences & Ecology↗

NASA NTRS2022

The Importance of Internal Climate Variability in Climate Impact Projections

Uncertainty in climate projections is driven by three components: scenario uncertainty, intermodel uncertainty, and internal variability. Although socioeconomic climate impact studies increasingly take into account the first two components, little attention has been paid to the role of internal variability, although underestimating this uncertainty may lead to underestimating the socioeconomic costs of climate change. Using large ensembles from seven coupled general circulation models with a total of 414 model runs, we partition the climate uncertainty in classic dose–response models relating county-level corn yield, mortality, and per-capita gross domestic product to temperature in the continental United States. The partitioning of uncertainty depends on the time frame of projection, the impact model, and the geographic region. Internal variability represents more than 50% of the total climate uncertainty in certain projections, including mortality projections for the early 21st century, although its relative influence decreases over time. We recommend including uncertainty due to internal variability for many projections of temperature-driven impacts, including early-century and midcentury projections, projections in regions with high internal variability such as the Upper Midwest United States, and impacts driven by nonlinear relationships.

climate impacts↗

NASA NTRS2014

Interannual Variation in Phytoplankton Class-specific Primary Production at a Global Scale

Phytoplankton is responsible for over half of the net primary production on earth. The knowledge on the contribution of various phytoplankton groups to the total primary production is still poorly understood. Data from satellite observations suggest that for upwelling regions, photosynthetic rates by microplankton is higher than that of nanoplankton but that when the spatial extent is considered, the production by nanoplankton is comparable or even larger than microplankton. Here, we used the NASA Ocean Biogeochemical Model (NOBM) combined with remote sensing data via assimilation to evaluate the contribution of 4 phytoplankton groups to the total primary production. Globally, diatoms were the group that contributed the most to the total phytoplankton production (approx. 50%) followed by coccolithophores and chlorophytes. Primary production by diatoms was highest in high latitude (>45 deg) and in major upwelling systems (Equatorial Pacific and Benguela system). We assessed the effects of climate variability on the class-specific primary production using global (i.e. Multivariate El Nino Index, MEI) and 'regional' climate indices (e.g. Southern Annular Mode (SAM), Pacific Decadal Oscillation (PDO) and North Atlantic Oscillation (NAO)). Most interannual variability occurred in the Equatorial Pacific and was associated with climate variability. These results provide a modeling and data assimilation perspective to phytoplankton partitioning of primary production and contribute to our understanding of the dynamics of the carbon cycle in the oceans at a global scale.

OBM↗

NASA NTRSDate not supplied

Advancing Satellite-Constrained Modeled Air-Sea CO 2 Fluxes With a Focus on the Strength of the Southern Ocean Carbon Sink

Challenge and Motivation: The ocean plays a critical role in mitigating climate change by removing approximately a quarter of annual anthropogenic CO 2 emissions from the atmosphere. Model-based estimates point to the Southern Ocean as a key marine region, responsible for approximately 40 % of the anthropogenic carbon uptake by the global ocean. However, the contemporary strength of the Southern Ocean carbon sink has recently come into question. On the one hand, airborne-based observations of atmospheric CO 2 gradients indicate that the Southern Ocean represents a strong net sink of atmospheric CO 2 , consistent in magnitude with atmospheric inversion estimates and surface-ocean partial pressure of CO 2 (pCO 2 )-based products. On the other hand, estimates of pCO 2 based on in situ pH measurements taken by biogeochemical profiling floats yield strong wintertime outgassing fluxes that greatly reduce the Southern Ocean’s annually integrated CO 2 uptake. This uncertainty in the strength of the Southern Ocean air-sea CO 2 flux and its role in the global carbon cycle hinders our ability to constrain global carbon fluxes, one of the major goals of NASA’s Carbon Monitoring System (CMS). Opportunity: The NASA Ocean Biogeochemical Model (NOBM) produces near-global pCO 2 and air-sea CO 2 flux estimates that are currently included into the NASA’s Goddard Earth Observing System (GEOS) models in support of the CMS effort to monitor global carbon fluxes. The NOBM assimilates ocean color data to improve the representation of biogeochemical fluxes and overcome spatial and temporal gaps in the space-based retrievals. Here, we propose to advance the satellite-constrained flux estimates by investigating the uncertainties in the Southern Ocean air-sea CO 2 flux produced by the NOBM, and assess the value that remote sensing ocean color data can have in providing improved estimates of carbon fluxes in the ocean. Our proposed work includes the delivery of refined in situ float-based carbon fluxes to serve as a constraint on the model-based estimates. Taking advantage of the model’s integration of satellite ocean color data to represent multiple phytoplankton groups, we propose to deliver maps of biogenic carbon export specific to each modeled phytoplankton type and investigate the role of ecological plankton complexity in regulating marine carbon uptake and export. Goals: (a) Delivery of seasonally-adjusted float-based Southern Ocean air-sea CO 2 fluxes: We will produce updated and improved float-based air-sea CO 2 fluxes that will serve as a bias-reduced float-based constraint to evaluate our model-based estimates of the NOBM. (b) Investigation of uncertainties in Southern Ocean air-sea CO 2 flux from the NOBM: Modeled air-sea carbon fluxes will be evaluated against the updated float product as well as ship- and airborne-based data to identify uncertainties and potential model deficiencies. (c) Delivery of model-based carbon export partitioning by phytoplankton functional types (PFTs): We will produce depth-resolved maps of particulate organic export production integrated for all phytoplankton groups and allocated to each individual PFT in the model. The expected significance of this goal is to quantify the role that the functional-oriented diversity in phytoplankton groups represented in the NOBM plays in regulating air-sea CO 2 fluxes in the Southern Ocean.

Lionel A. Arteaga↗

DOE OSTI2024

Overlooked branch turnover creates a widespread bias in forest carbon accounting

Most measurements and models of forest carbon cycling neglect the carbon flux associated with the turnover of branch biomass, a physiological process quantified for other organs (fine roots, leaves, and stems). Synthesizing data from boreal, temperate, and tropical forests (184,815 trees), we found that including branch turnover increased empirical estimates of aboveground wood production by 16% (equivalent to 1.9 Pg Cy −1 globally), of similar magnitude to the observed global forest carbon sinks. In addition, reallocating carbon to branch turnover in model simulations reduced stem wood biomass, a long-lasting carbon storage, by 7 to 17%. This prevailing neglect of branch turnover suggests widespread biases in carbon flux estimates across global datasets and model simulations. Branch litterfall, sometimes used as a proxy for branch turnover, ignores carbon lost from attached dead branches, underestimating branch C turnover by 38% in a pine forest. Modifications to field measurement protocols and existing models are needed to allow a more realistic partitioning of wood production and forest carbon storage.

Lim, Hyungwoo↗

NASA NTRS1995

Is chemical heating a major cause of the mesosphere inversion layer?

A region of thermal enhancement of the mesosphere has been detected on numerous occasions by in situ measurements, remote sensing from space, and lidar techniques. The source of these 'temperature inversion layers' has been attributed in the literature to the dissipation relating to dynamical forcing by gravity wave or tidal activity. However, evidence that gravity wave breaking can produce the inversion layer with amplitude as large as that observed in lidar measurements has been limited to results of numerical modeling. An alternative source for the production of the thermal inversion layer in the mesosphere is the direct deposition of heat by exothermic chemical reactions. Two-dimensional modeling combining a comprehensive model of the mesosphere photochemistry with the dynamical transport of long-lived species shows that the region from 80 to 95 km may be heated as much as 3 to 10 K/d during the night and half this rate during the day. Given the uncertainties in our understanding of the dynamics and chemistry for the mesopause region, separating the two sources by passive observations of the mesosphere thermal structure looks to be difficult. Therefore we have considered an active means for producing a mesopause thermal layer, namely the release of ozone into the upper mesosphere from a rocket payload. The induced effects would include artificial enhancements of the OH and Na airglow intensities as well as the mesopause thermal structure. The advantages of the rocket release of ozone is that detection of these effects by ground-based imaging, radar, and lidar systems and comparison of these effects with model predictions would help quantify the partition of the artificial inversion layer production into sources of dynamical and chemical forcing.

Meriwether, John W.↗

NASA NTRS1981

Winter wheat: A model for the simulation of growth and yield in winter wheat

The basic ideas and constructs for a general physical/physiological process level winter wheat simulation model are documented. It is a materials balance model which calculates daily increments of photosynthate production and respiratory losses in the crop canopy. The partitioning of the resulting dry matter to the active growing tissues in the plant each day, transpiration and the uptake of nitrogen from the soil profile are simulated. It incorporates the RHIZOS model which simulates, in two dimensions, the movement of water, roots, and soluble nutrients through the soil profile. It records the time of initiation of each of the plant organs. These phenological events are calculated from temperature functions with delays resulting from physiological stress. Stress is defined mathematically as an imbalance in the metabolite supply; demand ratio. Physiological stress is also the basis for the calculation of rates of tiller and floret abortion. Thus, tillering and head differentiation are modeled as the resulants of the two processes, morphogenesis and abortion, which may be occurring simulaneously.

Baker, D. N.↗

DOE OSTI2020

Rapid growth of anthropogenic organic nanoparticles greatly alters cloud lifecycle in the Amazon rainforest

Atmospheric nanoparticles can significantly influence Earth’s climate if they grow to sizes large enough to nucleate cloud droplets. While the contribution of extremely low volatility vapors to nanoparticle growth has been discussed extensively, the role of semivolatile organics has been largely overlooked. Here we examine the growth and impacts of air pollution nanoparticles from an isolated metropolis amidst the Amazon rainforest. Although extremely low volatility organics are necessary for the initial growth of nanoparticles, model analysis suggests that dynamic gas-particle partitioning of semivolatile oxidation products of anthropogenic and natural hydrocarbons is predominantly responsible for the observed rapid growth to 50 nm. Furthermore, cloud-resolving simulations demonstrate that the grown particles appreciably modify shallow cloud droplet size distribution, suppress precipitation, and enhance the transition to deep clouds. With condensable semivolatile organics typically formed in greater proportion, similar nanoparticle growth and impacts on clouds could likely occur in heavily urbanized forested regions globally.

Zaveri, Rahul A↗

DOE OSTI2020

DATASET: Rapid growth of anthropogenic organic nanoparticles greatly alters cloud lifecycle in the Amazon rainforest

Zaveri, Rahul A↗

NASA NTRS1988

Efficiency of shear induced entrainment in convectively mixed layers

Lidar data of mixed layer height are used to compare the model of process partitioning to that of Eulerian partitioning. It is found that the Eulerian partitioning model more closely follows the data and that the process partitioning model underpredicts the mixed layer depth. The results suggest that shear production and consumption of turbulent kinetic energy at the mixed layer top are local processes.

Boers, Reinout↗

DOE OSTI2022

Constraining Physical Understanding of Aerosol Loading, Biogeochemistry, and Snowmelt Hydrology from Hillslope to Watershed Scale in the East River Scientific Focus Area

The mountain snowpack is a critical component of regional hydrology, ecology, biogeochemistry, and climate in the Western US. This project leveraged the East River Scientific Focus Area (SFA), as an outdoor laboratory to address a significant gap in our understanding of the mountain snowpack; namely, how atmospheric constituent deposition on snowpack influences snow energy balance and nutrient/chemical cycling, and how snowmelt timing and intensity exerts controls on emergent biogeochemical and ecohydrologic behavior. This aligned with East River SFA goals to integrate landscape scale measurements and physical based modeling tools to improve understanding of controls on runoff production, ecohydrology, biogeochemical cycling, and land surface energy partitioning in high mountain watersheds. The project included observations of snowpack at multiple scales, measurements of snow and deposited aerosols properties, in situ time series of surface energy balance, and spatially distributed, process-based snowmelt modeling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays

Partitioned Global Address Space (PGAS) models exhibit tremendous promise in developing efficient and productive distributed-memory parallel applications. They have been used extensively in scientific computations due to conveniently offering a ``shared-memory''-like model and convenient interfaces that separate communication with synchronization. Traditionally, PGAS communication models have been applied to dense/contiguously distributed data, but most modern applications depict varied levels of sparsity. Existing PGAS models require certain adaptations to support distributed sparse computations, since associated computations often require matrix arithmetic, in addition to data movement. The Global Arrays toolkit from Pacific Northwest National Laboratory (PNNL) is one of the earliest PGAS models to combine one-sided data communication and distributed matrix operations and is still used in the popular NWChem quantum chemistry suite. Recently, we have expanded the Global Arrays toolkit to support common sparse operations, like sparse matrix-dense matrix multiplies (SpMM), sparse matrix-sparse matrix multiplication (SpGEMM) and Sampled Dense-Dense Matrix Multiplication (SDDMM). As it turns out, these operations are the bedrock of sparse Deep Learning (DL); sparse deep neural networks and Graph Neural Networks (GNNs) have gained increasing attention recently in achieving speedups on training and inference with reduced memory footprints. Unlike scientific applications in High Performance Computing (HPC), modern (distributed-memory capable) DL toolkits often rely on non-standardized and closed-source vendor software optimizations, creating challenges in software-hardware co-design at scale. Our goal is to support a variety of distributed-memory sparse matrix operations and helper functions in the newly created Sparse Global Arrays (SGA), such that it is possible to build portable and productive Machine Learning scenarios for algorithm/software and hardware codesign purposes. Contemporary data-parallel schemes for training/inference are undergoing a major overhaul since model replication limits scalability and causes resource inefficiencies. As such, we have adopted tensor parallelism in decomposing the model and inputs, to mitigate memory issues. Current implementation is built on top of MPI and uses CPUs to maximize the portability across the platforms.

Distributed computing, machine learning↗