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At least 487 records · Page 27

DICOMs, Missiles, and Metadata: The U.S. Nuclear Weapons Program Leverages a Medical Standard

Digital Imagine and Communications in Medicine (DICOM) images, although most commonly used in medical settings, have been widely adopted by the United States Department of Energy (DOE) for capturing images of the internal components in a nuclear weapon. DICOMs, a lesser-known file format that combine nested metadata structures with complex image data-including multiple planes, frames, and high resolution-require the creation of access copies to support usability within the DOE. Used primarily for ensuring the safety, security, and reliability of the U.S. nuclear stockpile, the Los Alamos National Laboratory (LANL)’s DICOM images and corresponding image metadata must be accessible to scientists and researchers via our institutional centralized databases. This paper describes the author's creation of a Python script that converts DICOM images into accessible, archive-friendly TIFF files while preserving key image data and metadata.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Fuel performance uncertainty quantification and sensitivity analysis in the presence of epistemic and aleatoric sources of uncertainties

Fuel performance modeling and simulation includes many uncertain parameters from models to boundary conditions, manufacturing parameters and material properties. These parameters exhibit large uncertainties and can have an epistemic or aleatoric nature, something that renders fuel performance code-to-code and code-to-measurements comparisons for complex phenomena such as the pellet cladding mechanical interaction (PCMI) very challenging. Additionally, PCMI and other complex phenomena found in fuel performance modeling and simulation induce strong discontinuities and non-linearities that can render difficult to extract meaningful conclusions form uncertainty quantification (UQ) and sensitivity analysis (SA) studies. In this work, we develop and apply a consistent treatment of epistemic and aleatoric uncertainties for both UQ and SA in fuel performance calculations and use historical benchmark-quality measurement data to demonstrate it. More specifically, the developed methodology is applied to the OECD/NEA Multi-physics Pellet Cladding Mechanical Interaction Validation benchmark. A cold ramp test leading to PCMI is modeled. Two measured quantities of interest are considered: the cladding axial elongation during the irradiations and the cladding outer diameter after the cold ramp. The fuel performance code used to perform the simulation is FAST. The developed methodology involves various steps including a Morris screening to decrease the number of uncertain inputs, a nested loop approach for propagating the epistemic and aleatoric sources of uncertainties, and a global SA using Sobol indices. The obtained results indicate that the fuel and cladding thermal conductivities as well as the cladding outer diameter uncertainties are the three inputs having the largest impact on the measured quantities. More importantly, it was found that the epistemic uncertainties can have a significant impact on the measured quantities and can affect the outcome of the global sensitivity analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Mitochondrial Genomes of the United States Distribution of Gray Fox (Urocyon cinereoargenteus) Reveal a Major Phylogeographic Break at the Great Plains Suture Zone

We examined phylogeographic structure in gray fox (Urocyon cinereoargenteus) across the United States to identify the location of secondary contact zone(s) between eastern and western lineages and investigate the possibility of additional cryptic intraspecific divergences. We generated and analyzed complete mitochondrial genome sequence data from 75 samples and partial control region mitochondrial DNA sequences from 378 samples to investigate levels of genetic diversity and structure through population- and individual-based analyses including estimates of divergence (FST and SAMOVA), median joining networks, and phylogenies. We used complete mitochondrial genomes to infer phylogenetic relationships and date divergence times of major lineages of Urocyon in the United States. Despite broad-scale sampling, we did not recover additional major lineages of Urocyon within the United States, but identified a deep east-west split (~0.8 million years) with secondary contact at the Great Plains Suture Zone and confirmed the Channel Island fox (Urocyon littoralis) is nested within U. cinereoargenteus. Genetic diversity declined at northern latitudes in the eastern United States, a pattern concordant with post-glacial recolonization and range expansion. Beyond the east-west divergence, morphologically-based subspecies did not form monophyletic groups, though unique haplotypes were often geographically limited. Gray foxes in the United States displayed a deep, cryptic divergence suggesting taxonomic revision is needed. Secondary contact at a common phylogeographic break, the Great Plains Suture Zone, where environmental variables show a sharp cline, suggests ongoing evolutionary processes may reinforce this divergence. Follow-up study with nuclear markers should investigate whether hybridization is occurring along the suture zone and characterize contemporary population structure to help identify conservation units. Comparative work on other wide-ranging carnivores in the region should test whether similar evolutionary patterns and processes are occurring.

54 ENVIRONMENTAL SCIENCES↗

Identification of a new circulating recombinant form of human immunodeficiency virus type 1, CRF124_cpx involving subtypes A, G, H, and CRF27_cpx in Angola

Angola, located in Central Africa, has around 320,000 (270,000–380,000) people living with human immunodeficiency virus (HIV)/AIDS, equivalent to 1% of the country’s population at the end of 2021. A previous study conducted in 2012, using Angolan samples collected between 2008 and 2010 revealed a high prevalence of HIV-1 recombinants, around 42% of sequences, with 21% showing the same UH profile in partial pol region which were grouped into a monophyletic cluster with high bootstrap support. Thus, the objective of the present work was to obtain complete genomes of those sequences and characterize them, aiming at a description of a new circulating recombinant form (CRF). Whole blood from nine HIV-1 UH pol -infected individuals had their genomic DNA extracted, and nested PCR was used to amplify seven overlapping fragments targeting the full-length HIV-1 genome. The final classification was based on maximum likelihood trees, and recombination analyses were performed using a bootscan from the Simplot program. BLAST and Los Alamos Database inspections were used to search other similar H-like pol sequences. Complete genome amplification was possible for three samples, partial genomes were obtained for the other three, and only pol was available for the remaining three sequences. Bootscan analysis of the two whole-genome and three partial genome sequences retrieved from people living with HIV/AIDS (PLHIVA) without epidemiological linkage showed the same complex recombination profile involving HIV-1 subtypes A/G/H/CRF27_cpx, with a total of six recombinant breakpoints, aiming to classify a new HIV-1 CRF124_cpx. We found no other full-length HIV-1 genomes with the same mosaic profile; however, we identified 33 partial pol sequences, mainly sampled from Angola between 2001 to 2019, with the same H-like profile. Bayesian analysis of H and H-like pol sequences indicates that CRF124_cpx probably originated in Angola at mid-1970s, indicating that this CRF has been circulating in the country for a long time. In summary, our study describes a new CRF circulating principally in Angola and highlights the importance of continuing molecular surveillance studies, especially in countries with high molecular diversity of HIV.

60 APPLIED LIFE SCIENCES↗

On the emergent scale of bedrock groundwater contribution to headwater mountain streams

We investigated the contribution of bedrock groundwater to streamflow as a function of catchment scale in a headwater stream. Synoptic surveys were conducted during hydrologically important periods of the year using multiple environmental tracers in stream water, soil water, and bedrock groundwater, along a first-order montane stream, in west-central Montana. Sampled analytes included 222 Rn, used to constrain total subsurface flux, and major and minor elements, used in end-member mixing analysis (EMMA) to identify the contributions of soil and bedrock groundwater to the stream. Partitioning between soil-derived and bedrock-derived groundwater was then analyzed as a function of the incremental and accumulated sub-catchment sizes. Radon results indicated that subsurface water contributions accounted for the majority of streamflow at all surveyed times. EMMA results revealed that the bedrock groundwater contribution to streamflow varied between 26% during peak snowmelt and 44% during late summer. Streamflow generation was dominated by soil groundwater contribution along the entire reach, but the bedrock groundwater contribution increased consistently with accumulated sub-catchment size. However, groundwater contributions were not well-correlated with incremental sub-catchment size. The scale at which increased bedrock groundwater discharge can be correlated with sub-catchment size appears to be >1 km 2 for our study. Our results are consistent with a conceptual model where streamflow is predominantly generated by a 3D subsurface nested flow system. Local subsurface heterogeneities control the stream source at local scales but begin to average out at scales >2 km 2 . Our study indicates that, while soil groundwater is the dominant source, bedrock groundwater remains an important and predictable contributor to streamflow throughout the year, even in a snow-dominated, mountainous headwater catchment.

environmental tracers↗

Multi-Scale Simulation of Wind Farm Performance during a Frontal Passage

Predicting the response of wind farms to changing flow conditions is necessary for optimal design and operation. Here in this work, simulation and analysis of a frontal passage through a utility scale wind farm is achieved for the first time using a seamless multi-scale modeling approach. A generalized actuator disk (GAD) wind turbine model is used to represent turbine–flow interaction, and results are compared to novel radar observations during the frontal passage. The Weather Research and Forecasting (WRF) model is employed with a nested grid setup that allows for coupling between multi-scale atmospheric conditions and turbine response. Starting with mesoscale forcing, the atmosphere is dynamically downscaled to the region of interest, where the interaction between turbulent flows and individual wind turbines is simulated with 10 m grid spacing. Several improvements are made to the GAD model to mimic realistic turbine operation, including a yawing capability and a power output calculation. Ultimately, the model is able to capture both the dynamics of the frontal passage and the turbine response; predictions show good agreement with observed background velocity, turbine wake structure, and power output after accounting for a phase shift in the mesoscale forcing. This study demonstrates the utility of the WRF-GAD model framework for simulating wind farm performance under complex atmospheric conditions.

17 WIND ENERGY↗

Simulating Real Atmospheric Boundary Layers at Gray-Zone Resolutions: How Do Currently Available Turbulence Parameterizations Perform?

Recent computational and modeling advances have led a diverse modeling community to experiment with atmospheric boundary layer (ABL) simulations at subkilometer horizontal scales. Accurately parameterizing turbulence at these scales is a complex problem. The modeling solutions proposed to date are still in the development phase and remain largely unvalidated. This work assesses the performance of methods currently available in the Weather Research and Forecasting (WRF) model to represent ABL turbulence at a gray-zone grid spacing of 333 m. We consider three one-dimensional boundary layer parameterizations (MYNN, YSU and Shin-Hong) and coarse large-eddy simulations (LES). The reference dataset consists of five real-case simulations performed with WRF-LES nested down to 25 m. Results reveal that users should refrain from coarse LES and favor the scale-aware, Shin-Hong parameterization over traditional one-dimensional schemes. Overall, the spread in model performance is large for the cellular convection regime corresponding to the majority of our cases, with coarse LES overestimating turbulent energy across scales and YSU underestimating it and failing to reproduce its horizontal structure. Despite yielding the best results, the Shin-Hong scheme overestimates the effect of grid dependence on turbulent transport, highlighting the outstanding need for improved solutions to seamlessly parameterize turbulence across scales.

54 ENVIRONMENTAL SCIENCES↗

Passive Acoustic Monitoring Provides Insights into Avian Use of Energycane Cropping Systems in Southern Florida

Birds are important indicators of ecosystem health and provide a range of benefits to society. It is important, therefore, to understand the impacts of agricultural land use changes on bird populations. The cultivation of energycane (EC)—a sugarcane hybrid—for biofuel production represents one form of agricultural land use change in southern Florida. We used passive acoustic monitoring (PAM) to examine bird community use of experimental EC fields and other agricultural land uses at two study sites in southern Florida. We deployed 16 acoustic recorders in different study plots and used the automatic species identifier BirdNET to identify 40 focal bird species. We found seasonal differences in daily avian species diversity and richness between EC experimental plots and reference agricultural fields (corn fields, orchards, pastureland), and between time periods (pre-planting, post-planting). Daily avian species diversity and richness were lower in the EC experimental plots during Fall and Winter months when plants reached maximum height (>400 cm in some areas). Despite seasonal differences in daily measures of species diversity and richness, we found no differences in cumulative species richness, suggesting that there may be little overall (season-long) effects of EC production. These findings could provide insight to avian seasonal habitat preferences and underscore the potential limitations of PAM in areas experiencing dynamic vegetation changes. More research is needed to better understand if utilization of EC cropping systems results in positive or negative effects on avian populations (e.g., foraging habitat quality, predator–prey dynamics, nest success).

BirdNET↗

Exploring ENSO-Induced Anomalies over North America in Historical and Future Climate Simulations That Use HadGEM2-ESM Output to Drive WRF

Projected changes to the El Niño Southern Oscillation (ENSO) climate mode have been explored using global Earth system models (ESMs). Regional expressions of such changes have yet to be fully advanced and may require the use of regional downscaling. Here, we employ regional climate modeling (RCM) using the Weather Research and Forecasting (WRF) model at convection-permitting resolution and nested in output from the HadGEM2 ESM. We quantify ENSO teleconnections to temperature and precipitation anomalies in historical and future climate scenarios over eastern North America. Two paired simulations are run, a strong El Niño (positive ENSO phase) and a weak La Niña (negative ENSO phase), for the historical and future years. The HadGEM2 direct output and HadGEM2-WRF simulation output are compared to the anomalies derived from the NOAA ENSO Climate Normals dataset. The near-surface temperature and precipitation differences by ENSO phase, as represented by the HadGEM2-WRF historical simulations, show a poor degree of association with the NOAA ENSO Climate Normals, in part because of the large biases in the HadGEM2 model. Downscaling with the WRF model does improve the agreement with the observations, and large discrepancies remain. The model chain HadGEM2-WRF reverses the sign of the ENSO phase response over eastern North America under simulations of the future climate with high greenhouse gas forcing, but due to the poor agreement with the NOAA ENSO Climate Normals it is difficult to assign confidence to this prediction.

54 ENVIRONMENTAL SCIENCES↗

Artificial Intelligence-Assisted Daytime Video Monitoring for Bird, Insect, and Other Wildlife Interactions with Photovoltaic Solar Energy Facilities

Studying bird, insect, and other wildlife interactions with photovoltaic (PV) solar energy facilities is difficult due to limited multi-season, multi-site data. Researchers can address such data gaps by combining passive monitoring and artificial intelligence (AI). As a part of the development of AI-enabled avian–solar monitoring software, we collected over 19,000 h of daytime videos at five PV sites across three U.S. regions between 2019 and 2024. We applied a moving object detection and tracking (MODT Version 1) AI model we developed earlier to 4373 h of the footage to extract moving objects in video frames, and human reviewers interpreted the model output and identified 68,646 bird, 25,968 insect, and 169 other wildlife instances to generate the training/validation dataset. We analyzed the data by site, region, and season, considering ground cover and landscapes. Songbirds were most common, with raptors as the next most frequent group. Most notably, no bird collisions were confirmed in our observations collected from the videos. Birds most often flew over or near panels, with the highest observations in the Midwest and Northeast (approximately 30 observations per hour on average) and fewer in the desert Southwest. Other behaviors included perching, foraging, and nesting. Bird abundance peaked during breeding and migration seasons. AI-assisted video monitoring proved effective for non-invasively studying flying wildlife at solar facilities to inform ecologically mindful energy development.

avian mortality↗

Gender Gaps in Mode Usage, Vehicle Ownership, and Spatial Mobility When Entering Parenthood: A Life Course Perspective

Entry into parenthood is a major disruptive event to travel behavior, and gender gaps in mobility choices are often widened during parenthood. The exact timing of gender gap formation and their long-term effects on different subpopulations are less studied in the literature. Leveraging a longitudinal dataset from the 2018 WholeTraveler Study, this paper examines the effects of parenthood on a diverse set of short- to long-term outcomes related to the three hierarchical domains of mobility biography: mode choice, vehicle ownership, spatial mobility, and career decisions. The progress of the effects is evaluated over a sequential set of parenting stages and differentiated across three subpopulations. We find that individuals classified as “Have-it-alls”, who start their careers, partner up, and have children concurrently and early, significantly increase their car uses two years prior to childbirth (“nesting period”), and they then relocate to less transit-accessible areas and consequently reduce their reliance on public transportation while they have children in the household. In contrast, individuals categorized as “Couples”, who start careers and partnerships early but delay parenthood, and “Singles”, who postpone partnership and parenthood, have less pronounced changes in travel behavior throughout the parenting stages. The cohort-level effects are found to be driven primarily by women, whose career development is on average more negatively impacted by parenting events than men, regardless of their life course trajectory. Early career decisions made by women upon entering parenthood contribute to gender gaps in mid- to longer-term mobility decisions, signifying the importance of early intervention.

Yang, Hung-Chia (ORCID:0000000161439904)↗

Integration of Complete Plasmids Containing Bont Genes into Chromosomes of Clostridium parabotulinum , Clostridium sporogenes , and Clostridium argentinense

At least 40 toxin subtypes of botulinum neurotoxins (BoNTs), a heterogenous group of bacterial proteins, are produced by seven different clostridial species. A key factor that drives the diversity of neurotoxigenic clostridia is the association of bont gene clusters with various genomic locations including plasmids, phages and the chromosome. Analysis of Clostridium sporogenes BoNT/B1 strain CDC 1632, C. argentinense BoNT/G strain CDC 2741, and Clostridium parabotulinum BoNT/B1 strain DFPST0006 genomes revealed bont gene clusters within plasmid-like sequences within the chromosome or nested in large contigs, with no evidence of extrachromosomal elements. A nucleotide sequence (255,474 bp) identified in CDC 1632 shared 99.5% identity (88% coverage) with bont/B1-containing plasmid pNPD7 of C. sporogenes CDC 67071; CDC 2741 contig AYSO01000020 (1.1 MB) contained a ~140 kb region which shared 99.99% identity (100% coverage) with plasmid pRSJ17_1 of C. argentinense BoNT/G strain 89G; and DFPST0006 contig JACBDK0100002 (573 kb) contained a region that shared 100% identity (99%) coverage with the bont/B1-containing plasmid pCLD of C. parabotulinum Okra. This is the first report of full-length plasmid DNA-carrying complete neurotoxin gene clusters integrated in three distinct neurotoxigenic species: C. parabotulinum, C. sporogenes and C. argentinense.

59 BASIC BIOLOGICAL SCIENCES↗

Sequence Length of HIV-1 Subtype B Increases over Time: Analysis of a Cohort of Patients with Hemophilia over 30 Years

We aimed to investigate whether the sequence length of HIV-1 increases over time. We performed a longitudinal analysis of full-length coding region sequences (FLs) during an HIV-1 outbreak among patients with hemophilia and local controls infected with the Korean subclade B of HIV-1 (KSB). Genes were amplified by overlapping RT-PCR or nested PCR and subjected to direct sequencing. Overall, 141 FLs were sequentially determined over 30 years in 62 KSB-infected patients. Phylogenetic analysis indicated that within KSB, two FLs from plasma donors O and P comprised two clusters, together with 8 and 12 patients with hemophilia, respectively. Signature pattern analysis of the KSB of HIV-1 revealed 91 signature nucleotide residues (1.1%). In total, 48 and 43 signature nucleotides originated from clusters O and P, respectively. Six positions contained 100% specific nucleotide(s) in clusters O and P. In-depth FL analysis for over 30 years indicated that the KSB FL significantly increased over time before combination antiretroviral therapy (cART) and decreased with cART. This increase occurred due to the significant increase in env and nef genes, originating in the variable regions of both genes. The increase in sequence length of HIV-1 over time suggests an evolutionary direction.

59 BASIC BIOLOGICAL SCIENCES↗

The Distant, Galaxy Cluster Environment of the Short GRB 161104A at $z\sim 0.8$ and a Comparison to the Short GRB Host Population

We present optical observations of the Swift short-duration gamma-ray burst (GRB) GRB 161104A and its host galaxy at z = 0.793 ± 0.003. We model the multiband photometry and spectroscopy with the stellar population inference code Prospector and explore the posterior using nested sampling. We find a mass-weighted age of $t_m = 2.12^{+0.23}_{-0.21}$ Gyr, stellar mass of log(M/M ⊙ ), metallicity of log(Z/Z ⊙ ), dust extinction of $A_V = 0.08^{+0.08}_{-0.05}$, and low star formation rate of 9.9 × 10 -2 M ⊙ yr -1 . These properties, along with a prominent 4000 Å break and optical absorption lines, classify this host as an early-type, quiescent galaxy. Using Dark Energy Survey galaxy catalogs, we demonstrate that the host of GRB 161104A resides on the outskirts of a galaxy cluster at z ≈ 0.8, situated ≈1 Mpc from the likely brightest cluster galaxy. We also present new modeling for 20 additional short GRB hosts (≈33% of which are early-type galaxies), finding population medians of and $t_m = 1.07^{+1.98}_{-0.67}$ Gyr (68% confidence). We further find that the host of GRB 161104A is more distant, less massive, and younger than the four other short GRB hosts known to be associated with galaxy clusters. Cluster short GRBs have faint afterglows, in the lower ≈11% (≈30%) of observed X-ray (optical) luminosities. We place a lower limit on the fraction of short GRBs in galaxy clusters versus those in the field of ≈5%–13%, consistent with the fraction of stellar mass of ≈10%–20% in galaxy clusters at redshifts 0.1 ≤ z ≤ 0.8. Future studies that take advantage of wider-field and deeper cluster surveys are needed to understand the true rate of short GRBs in clusters and their effect on heavy-element enrichment in the intracluster medium.

79 ASTRONOMY AND ASTROPHYSICS↗

Optimizing Optical Searches for Supermassive Black Hole Binaries in Active Galactic Nuclei Light Curves: Fourier versus Bayesian Periodicity Detection

Simulations predict that supermassive black hole binaries (SMBHBs) will exhibit periodic brightness variations that may exceed the stochastic variability intrinsic to active galactic nuclei (AGN). In this paper, we simulate SMBHBs with damped random walk (DRW) AGN variability and an added sinusoidal signal from the orbital motion, and test three methods—a generalized Lomb–Scargle periodogram (GLSP), a nested Bayesian sampler (NBS), and a weighted wavelet z-transform (or WWZ)—to determine which is best at recovering the periodicity. Our simulated light curves follow the properties of the Catalina Real-Time Transient Survey (or CRTS), Legacy Survey of Space and Time (LSST), and Zwicky Transient Facility (ZTF) to best inform current and future SMBHB searches. We map a broad range of parameter space and identify which DRW-only light curves best mimic periodicity and pass each method’s model selection. The NBS performs best at detecting periodicity and filtering out DRW-only light curves. Combined candidate selection with both the NBS and GLSP significantly reduces false-positive rates (FPRs) with marginal impact on true-positive rates (TPRs). With this joint model selection pipeline, we find the lowest FPRs in ZTF-like simulations and the highest detection rates in LSST-like simulations. Using a modified computation of the false-alarm probability with GLSP, we efficiently triage LSST AGN light curves (∼10 7 light curves in ∼10–30 hr) and achieve TPRs and FPRs of ∼40% and ∼0.5%, respectively.

Banaszak, Sebastian M. [Vanderbilt Univ., Nashvill↗

thornado+FLASH-X: A Hybrid Discontinuous Galerkin–Implicit-explicit and Finite-volume Framework for Neutrino-radiation Hydrodynamics in Core-collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement–based multiphysics simulation framework FLASH-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $\mathcal{O}(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino–matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino–electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved through a hybrid DG-FV representation of the fluid variables and operator-split evolution within FLASH-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within FLASH-X. thornado’s neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

Endeve, Eirik [Oak Ridge National Laboratory (ORNL↗

Cholesky-based experimental design for Gaussian process and kernel-based emulation and calibration.

Gaussian processes and other kernel-based methods are used extensively to construct approximations of multivariate data sets. The accuracy of these approximations is dependent on the data used. This paper presents a computationally efficient algorithm to greedily select training samples that minimize the weighted L p error of kernel-based approximations for a given number of data. The method successively generates nested samples, with the goal of minimizing the error in high probability regions of densities specified by users. The algorithm presented is extremely simple and can be implemented using existing pivoted Cholesky factorization methods. Training samples are generated in batches which allows training data to be evaluated (labeled) in parallel. For smooth kernels, the algorithm performs comparably with the greedy integrated variance design but has significantly lower complexity. Numerical experiments demonstrate the efficacy of the approach for bounded, unbounded, multi-modal and non-tensor product densities. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data using Bayesian inference.

97 MATHEMATICS AND COMPUTING↗

An evaluation of global organic aerosol schemes using airborne observations

Chemical transport models have historically struggled to accurately simulate the magnitude and variability of observed organic aerosol (OA), with previous studies demonstrating that models significantly underestimate observed concentrations in the troposphere. In this study, we explore two different model OA schemes within the standard GEOS-Chem chemical transport model and evaluate the simulations against a suite of 15 globally distributed airborne campaigns from 2008 to 2017, primarily in the spring and summer seasons. These include the ATom, KORUS-AQ, GoAmazon,FRAPPE, SEAC4RS, SENEX, DC3, CalNex, OP3, EUCAARI, ARCTAS and ARCPAC campaigns and provide broad coverage over a diverse set of atmospheric composition regimes – anthropogenic, biogenic, pyrogenic and remote. The schemes include significant differences in their treatment of the primary and secondary components of OA – a “simple scheme” that models primary OA (POA) as non-volatile and takes a fixed-yield approach to secondary OA (SOA) formation and a “complex scheme” that simulates POA as semi-volatile and uses a more sophisticated volatility basis set approach for non-isoprene SOA, with an explicit aqueous uptake mechanism to model isoprene SOA. Despite these substantial differences, both the simple and complex schemes perform comparably across the aggregate dataset in their ability to capture the observed variability (with an R2 of 0.41 and 0.44, respectively). The simple scheme displays greater skill in minimizing the overall model bias (with a normalized mean bias of 0.04 compared to 0.30 for the complex scheme). Across both schemes, the model skill in reproducing observed OA is superior to previous model evaluations and approaches the fidelity of the sulfate simulation within the GEOS-Chem model. However,there are significant differences in model performance across different chemical source regimes, classified here into seven categories.Higher-resolution nested regional simulations indicate that model resolution is an important factor in capturing variability in highly localized campaigns, while also demonstrating the importance of well-constrained emissions inventories and local meteorology, particularly over Asia. Our analysis suggests that a semi-volatile treatment of POA is superior to anon-volatile treatment. It is also likely that the complex scheme parameterization overestimates biogenic SOA at the global scale. While this study identifies factors within the SOA schemes that likely contribute to OA model bias (such as a strong dependency of the bias in the complex scheme on relative humidity and sulfate concentrations), comparisons with the skill of the sulfate aerosol scheme in GEOS-Chem indicate the importance of other drivers of bias, such as emissions, transport and deposition, that are exogenous to the OA chemical scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗