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A function space approach to state and model error estimation for elliptic systems

An approach is advanced for the concurrent estimation of the state and of the model errors of a system described by elliptic equations. The estimates are obtained by a deterministic least-squares approach that seeks to minimize a quadratic functional of the model errors, or equivalently, to find the vector of smallest norm subject to linear constraints in a suitably defined function space. The minimum norm solution can be obtained by solving either a Fredholm integral equation of the second kind for the case with continuously distributed data or a related matrix equation for the problem with discretely located measurements. Solution of either one of these equations is obtained in a batch-processing mode in which all of the data is processed simultaneously or, in certain restricted geometries, in a spatially scanning mode in which the data is processed recursively. After the methods for computation of the optimal esimates are developed, an analysis of the second-order statistics of the estimates and of the corresponding estimation error is conducted. Based on this analysis, explicit expressions for the mean-square estimation error associated with both the state and model error estimates are then developed. While this paper focuses on theoretical developments, applications arising in the area of large structure static shape determination are contained in a closely related paper (Rodriguez and Scheid, 1982).

Rodriguez, G.↗

The Scientific Case for Concurrent Neutron and X-ray Scattering and Spectroscopy

The interrogation of materials with X-rays or neutrons to determine the structure, energetics, and dynamics of materials is fundamental to advancing materials' physical and chemical science and developing innovative material technologies. A transcending challenge in developing novel materials is that progress hinges on understanding the structure and dynamics across multiple time and length scales in complex materials that feature multiple components, interfaces, and compositions. Despite the ever-growing demands on materials’ characterization, existing approaches are almost exclusively based on isolated X-ray or neutron scattering, i.e., an approach commensurate with the more narrowly defined needs of fifty years ago. A three-day workshop sponsored by the U.S. National Science Foundation (NSF) analyzed the demand for concurrent neutron and X-ray (NeX) experiments. It was held at the Spring Hill Suites, San Jose, California, from June 2 to 4, 2022. In this workshop, 70 national and international experts ascertained the crucial need to establish NeX capabilities to advance the science of complex materials and systems in the US. Here, we illustrate the need for NeX scattering and spectroscopy experiments by showcasing examples that span areas as diverse as biomaterials, energy science, soft matter, and nanomaterials. To provide NeX capability will require new instrumentation that enables concurrent experiments. Affected areas include chemistry, soft matter, quantum materials, pure and applied chemistry, bioscience, geoscience, and applied materials. NeX benefits research outcomes due to the complementarity of the two techniques, which is essential for better model refinement. While joint refinement of data from separate neutron and X-ray experiments is critical to avoid ambiguities, especially in multiphase-multicomponent materials, concurrent experiments overcome scientific and technical barriers associated with single measurements, separated by location and, thus, time. Among all the examples, these factors introduce uncertainties in the results that complicate data analysis. [1,2] [3] While models are strongly sample-dependent, the principles of joint refinement are generally applicable to these disciplines, including the development of advanced parameterization, modeling, and analysis techniques that also consider the temporal and spatial resolutions of the two methods, leading to unambiguous data interpretation. Solutions for technical barriers must be found to realize NeX experiments, including developing robust sample environments that meet the optical requirements of neutrons and X-rays.

36 MATERIALS SCIENCE↗

X-ray absorption spectroscopic study of the alumina supported Fe and FeMo catalysts for methane dehydrogenation

Nanoscale Fe (5%Fe/Al 2 O 3 ) and FeMo (4.5%Fe-0.5%Mo/Al 2 O 3 ) catalysts are prepared by precipitating metal components onto alumina and then reducing in hydrogen at 700 °C for 2 hrs. Here, the catalysts are characterized before and after their exposures to methane at 700 °C, employing ex-situ X-ray absorption spectroscopy (XAS) and X-ray diffraction techniques. XAS data of the as-prepared catalysts shows that, iron precipitates onto alumina as 6L-ferrihydrite, and Mo is present as molybdate (Mo(VI)O 4 2- ). The molybdate, which binds the alumina in the as-prepared FeMo catalyst, is partially reduced to MoO 2 . The reduction of iron to metallic state is incomplete because the ferrous iron binds the alumina, forming hercynite. After several hrs of methane exposure to both the catalysts at 700 °C, a major Fe 3 C and a graphite phase are observed only in the FeMo catalyst. The observation confirms that the Mo promotes more iron to an active Fe metal, a part of that metal converts to Fe 3 C and austenite (Fe x C). Concurrently, the MoO 2 converts to Mo-oxycarbide (MoO x C y ), the latter then carburize to Mo 2 C in the FeMo catalyst. The Fe metal, Mo-oxycarbide and metal carbides are mainly responsible for the conversion of methane to H 2 and carbon. At reaction temperature > 900 °C, the Mo carbide particles agglomerate, and the excess carbon deposits on this agglomerate leading to catalyst deactivation. The deactivated catalyst is regenerated with CO 2 treatment at 1000 °C to restore its initial oxide structure.

30 DIRECT ENERGY CONVERSION↗

Concurrent Supermassive Black Hole and Galazy Growth: Linking Environment and Nuclear Activity in Zeta Equals 2.23 H Alpha Emitters

We present results from an approximately equal 100 ks Chandra observation of the 2QZ Cluster 1004+00 structure at z = 2.23 (hereafter 2QZ Clus). 2QZ Clus was originally identified as an overdensity of four optically-selected QSOs at z = 2.23 within a 15 × 15 arcmin square region. Narrow-band imaging in the near-IR (within the K band) revealed that the structure contains an additional overdensity of 22 z = 2.23 H alpha-emitting galaxies (HAEs), resulting in 23 unique z = 2.23 HAEs/QSOs (22 within the Chandra field of view). Our Chandra observations reveal that three HAEs in addition to the four QSOs harbor powerfully accreting supermassive black holes (SMBHs), with 2-10 keV luminosities of approximately equal (8-60) × 10(exp 43) erg s(exp−1) and X-ray spectral slopes consistent with unobscured active galactic nucleus (AGN). Using a large comparison sample of 210 z = 2.23 HAEs in the Chandra-COSMOS field (C-COSMOS), we find suggestive evidence that the AGN fraction increases with local HAE galaxy density. The 2QZ Clus HAEs reside in a moderately overdense environment (a factor of approximately equal 2 times over the field), and after excluding optically-selected QSOs, we find that the AGN fraction is a factor of approximately equal 3.5(+3.8/ −2.2) times higher than C-COSMOS HAEs in similar environments. Using stacking analyses of the Chandra data and Herschel SPIRE observations at 250micrometers, we respectively estimate mean SMBH accretion rates ( M(BH)) and star formation rates (SFRs) for the 2QZ Clus and C-COSMOS samples. We find that the mean 2QZ Clus HAE stacked X-ray luminosity is QSO-like (L(2−10 keV) approximately equal [6-10] × 10(exp 43) erg s(exp −1)), and the implied M(BH)/SFR approximately equal (1.6-3.2) × 10(exp −3) is broadly consistent with the local M(BH)/Stellar Mass relation and z approximately equal 2 X-ray selected AGN. In contrast, the C-COSMOS HAEs are on average an order of magnitude less X-ray luminous and have M(BH)/SFR approximately equal (0.2-0.4) × 10(exp −3), somewhat lower than the local MBH/M relation, but comparable to that found for z approximately equal 1-2 star-forming galaxies with similar mean X-ray luminosities. We estimate that a periodic QSO phase with duty cycle approximately 2%-8% would be sufficient to bring star-forming galaxies onto the local M(BH)/Stellar Mass relation. This duty cycle is broadly consistent with the observed C-COSMOS HAE AGN fraction (Approximately equal 0.4%-2.3%) for powerful AGN with LX approximately greater than 10(exp 44) erg s(exp −1). Future observations of 2QZ Clus will be needed to identify key factors responsible for driving the mutual growth of the SMBHs and galaxies.

Lehmer, B. D.↗

Emission Inventories from Natural Gas Storage Facilities using Regional Frequency Comb Laser Monitoring and Aircraft Flyovers. Final Report

The project centers around a ground-based regional methane sensor developed by the CU/NIST team members under the DOE ARPA-E MONITOR program, and sophisticated aircraft measurement techniques developed by the UCD/Scientific Aviation team (responsible for a recent Science publication quantifying the Aliso Canyon storage field release). The dual frequency-comb spectrometer is an invisible, eye-safe laser capable of measuring atmospheric methane concentrations along beam paths 1+ miles in length with high precision and stability (<1 ppb methane over 1 mile). The CU/NIST team has developed a unique approach to using a single, central spectrometer to locate and size methane emissions as small as 6 scfh from specific gas field structures within the 1+ mile range of the laser. Deployment involves the stationing of small cubic mirrors at strategic locations across the gas storage site. The mirrors direct light from the spectrometer back to a detector, where methane concentrations are recorded based on light absorption at specific wavelengths. The measurements are coupled with high resolution gas transport models based on meteorological measurements (wind, etc.) to determine the precise location and emission rate of methane sources. The calibration-free and continuous nature of dual frequency-comb spectrometer measurements means that a large area can be monitored continuously for temporal variability of emissions over long periods of time. The aircraft measurements involve spiral flights around storage facilities with a sensitive ethane/methane measurement package. Upwind/downwind concentration comparisons and wind data provide total facility emissions data. During this project, a new micrometeorological package was integrated onto the Scientific Aviation aircraft to provide even greater emissions quantification capability. In this project, the ground-based measurement system was deployed for 11 months (to capture seasonal variability) at a West Coast storage facility, together with a campaign of twice monthly aircraft total facility emissions flights. The data from these two modalities was combined to quantify the methane emissions from the facility with first-of-its-kind temporal and spatial detail. Concurrent with this deployment, the aircraft team performed flights to quantify emissions at a wider array of previously un-surveyed storage sites. The ground-based measurement system was then moved to an additional site of differing total storage and delivery capacity. Aircraft mass balance flights continued, repeatedly surveying (twice monthly) this site, as well as surveying a large number of previously un-assessed sites spanning a variety of size, reservoir type and age. Assessment of ground-based, temporally and spatially detailed methane emissions information alongside aircraft-derived methane total facility emissions information led to an improved understanding of emissions, relevant for inventories of the natural gas storage sector. In particular, this work provided temporal detail (seasonal of emissions and frequency of leaks) to stakeholders and personnel responsible for updates to the EPA’s GHGI. The impact of the proposed work has been a dramatic improvement in the temporal, spatial, and site- and type- specific detail and quantification of emissions inventories for the natural gas storage sector. This work directly benefits the EPA’s GHGI, directly ameliorates the environmental impacts and public health and safety of the natural gas storage sector, and aids policymakers and industry to make sound choices with respect to management and regulation.

03 NATURAL GAS↗

Evaluating Differences Among Crop Models in Simulating Soybean in-Season Growth

Crop models are useful tools for simulating agricultural systems that require continued model development and testing to increase their robustness and improve how they describe our current understanding of processes. Coordinated and “blind” evaluation of multiple models using same protocols and experimental datasets provides unique opportunities to further improve models and enhance their reliability. For soybean [Glycine max (L.) Merr.], there has been limited coordinated multi-model evaluations for the simulation of in-season plant growth dynamics. We evaluated ten dynamic soybean crop models for their simulation of in-season plant growth using data from five experiments conducted in Argentina, Brazil, France, and USA. We evaluated models after a Blind (using only phenology data) and a Full calibration (with in-season and end-of-season variables). Calibration reduced model uncertainty by reducing standard bias for the simulation of in-season variables (biomass, leaf, pod, and stem weights, and leaf area index, LAI). However, we found that most models had difficulty in reproducing leaf growth dynamics, with normalized root mean squared error (nRMSE) of 56% for leaf weight and 43% for LAI (across locations and models after Full calibration). Models with different levels of complexity and experience were capable of simulating final seed yield at maturity with reasonable accuracy (nRMSE of 8–31% after Full calibration). However, the nRMSE for pod weight (of 17–64% after Full calibration) was two-fold larger than that of seed yield. Moreover, the models differed in how they simulated timing from sowing to beginning seed growth (47–93 days) and effective seed filling period (18–54 days), owing to model structural differences in defining the reproductive developmental stages. Overall, we identified the following processes that can benefit from further model improvement: leaf expansion and senescence, reproductive phenology, and partitioning to reproductive growth. Simulation of pod wall tissue and individual seed cohorts is another aspect that many models currently lack. Model improvement can benefit from high-temporal resolution experimental datasets that concurrently account for phenology, plant growth, and partitioning. Further, we recommend collecting reproductive phenology in the field consistent with actual dry matter allocation to organs in the models and collecting multiple observations of seed and pod weight to aid model improvement for simulation of seed growth and yield formation.

Agricultural Model Intercomparison and Improvement↗

Base Flow Investigation of the Apollo AS-202 Command Module

In recent years, both Europe and the US are developing hypersonic research and operational vehicles. These include (re)entry capsules (both ballistic and lifting) and lifting bodies such as ExoMars, EXPERT, ARV, CEV and IXV. The research programs are meant to enable technology and engineering capabilities to support during the next decade the development of affordable (possibly reusable) space transportation systems as well as hypersonic weapons systems for time critical targets. These programs have a broad range of goals, ranging from the qualification of thermal protection systems, the assessment of RCS performances, the development of GNC algorithms, to the full demonstration of the performance and operability of the integrated vehicles. Since the aerothermodynamic characteristics influence nearly all elements of the vehicle design, the accurate prediction of the aerothermal environment is a prerequisite for the design of efficient hypersonic systems. Significant uncertainties in the prediction of the hypersonic aerodynamic and the aerothermal loads can lead to conservative margins in the design of the vehicle including its Outer Mould Line (OML), thermal protection system, structure, and required control system robustness. The current level of aerothermal prediction uncertainties results therefore in reduced vehicle performances (e.g., sub-optimal payload to mass ratio, increased operational constraints). On the other hand, present computational capabilities enable the simulation of three dimensional flow fields with complex thermo-chemical models over complete trajectories and ease the validation of these tools by, e.g., reconstruction of detailed wind tunnel tests performed under identified and controlled conditions (flow properties and vehicle attitude in particular). These controlled conditions are typically difficult to achieve when performing in flight measurements which in turn results in large associated measurement uncertainties. Similar problems arise when attempting to rebuild measurements performed in "hot" ground facilities, where the difficulty level is increased by the addition of the free-flow characterization itself. The implementation of ever more sophisticated thermochemical models is no obvious cure to the aforementioned problems since their effect is often overwhelmed by the large measurement uncertainties incurred in both flight and ground high enthalpy facilities. Concurrent to the previous considerations, a major contributor to the overall vehicle mass of re-entry vehicles is the afterbody thermal protection system. This is due to the large acreage (equal or bigger than that of the forebody) to be protected. The present predictive capabilities for base flows are comparatively lower than those for windward flowfields and offer therefore a substantial potential for improving the design of future re-entry vehicles. To that end, it is essential to address the accuracy of high fidelity CFD tools exercised in the US and EU, which motivates a thorough investigation of the present status of hypersonic flight afterbody heating. This paper addresses the predictive capabilities of after body flow fields of re-entry vehicles investigated in the frame of the NATO/RTO - RTG-043 Task Group and is structured as follows: First, the verification of base flow topologies on the basis of available wind-tunnel results performed under controlled supersonic conditions (i.e., cold flows devoid of reactive effects) is performed. Such tests address the detailed characterization of the base flow with particular emphasis on separation/reattachment and their relation to Mach number effects. The tests have been performed on an Apollo-like re-entry capsule configuration. Second, the tools validated in the frame of the previous effort are exercised and appraised against flight-test data collected during the Apollo AS-202 re-entry.

Walpot, Louis M. G.↗

Wrinkle ridges on Mercury and the Moon within and outside of mascons

Found on all terrestrial planets, wrinkle ridges are anticlines formed by thrust faulting and folding resulting from crustal shortening. The MErcury Surface, Space Environment, Geochemistry, and Ranging (MESSENGER)spacecraft's orbital phase returned high resolution images and topographic data of the previously unimaged northern high latitudes of Mercury where there are large expanses of smooth plains deformed by wrinkle ridges. Concurrently, the Lunar Reconnaissance Orbiter (LRO) is obtaining high resolution images and topographic data covering lunar mare wrinkle ridges. These data allow quantitative comparison of the scale of wrinkle ridges in smooth plains volcanic units on Mercury with mare wrinkle ridges. We evaluate the topographic relief of 300 wrinkle ridges within and outside of mascon basins on the Moon and Mercury. Measured wrinkle ridges range from ~112 to 776 min relief with a mean of ~350m (median=~340m, n=150) on Mercury and from ~47 to 678 min relief with a mean of ~198 m (median=~168m, n=150) on the Moon. Wrinkle ridges on Mercury thus are approximately twice as large in mean relief compared to their counterparts on the Moon. The larger scale of Mercury's wrinkle ridges suggests that their formation can be attributed, in part, to global contraction. As global contraction on the Moon is estimated to be an order of magnitude smaller than on Mercury, the smaller scale of lunar wrinkle ridges suggests they most likely form primarily by load induced subsidence of the mare basalt. Wrinkle ridges located in lunar mascon basins and in the Caloris mascon on Mercury are not statistically significantly different in relief than ridges in non-mascon regions, suggesting comparable levels of contractional strain. The fact that mascon basins do not host wrinkle ridges with greater structural relief relative to non-mascon units may indicate the critical role lithospheric thickness plays in controlling subsidence and contraction of thick volcanic sequences on the Moon and Mercury.

Lisa S. Schleicher↗

Heavy Element Spectroscopy in the Gas Phase

Actinides are inherently unstable and undergo nuclear decay processes with a concurrent release of energy. Consequently, they are used for nuclear power generation, nuclear weapons, and nuclear medicine. However, the radioactive decay processes also pose significant technological problems for the safe treatment and storage of spent nuclear materials. Cost-effective extraction of the actinides is the key first step in the remediation of nuclear waste, but the appropriate chemical means have yet to be determined. Our present understanding of the chemistry of actinides is limited, with the role of the 5f electrons posing a set of particularly challenging questions. The work reported here is focused on the use of electronic spectroscopy to probe the bonding of small molecules in the gas phase that contains thorium or uranium. Analyses of these data, carried out within the framework of ligand field theory, reveal clear evidence that the 5f electrons are spectators that retain their atomic metal ion character.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wrinkle Ridges on Mercury and the Moon Within and Outside of Mascons

Found on all terrestrial planets, wrinkle ridges are anticlines formed by thrust faulting and folding resulting from crustal shortening. The MErcury Surface, Space Environment, Geochemistry, and Ranging (MESSENGER) spacecraft's orbital phase returned high resolution images and topographic data of the previously unimaged northern high latitudes of Mercury where there are large expanses of smooth plains deformed by wrinkle ridges. Concurrently, the Lunar Reconnaissance Orbiter (LRO) is obtaining high resolution images and topographic data covering lunar mare wrinkle ridges. These data allow quantitative comparison of the scale of wrinkle ridges in smooth plains volcanic units on Mercury with mare wrinkle ridges. We evaluate the topographic relief of 300 wrinkle ridges within and outside of mascon basins on the Moon and Mercury. Measured wrinkle ridges range from ~112 to 776 m in relief with a mean of ~350 m (median = ~340 m, n = 150) on Mercury and from ~47 to 678 m in relief with a mean of ~198 m (median = ~168 m, n = 150) on the Moon. Wrinkle ridges on Mercury thus are approximately twice as large in mean relief compared to their counterparts on the Moon. The larger scale of Mercury's wrinkle ridges suggests that their formation can be attributed, in part, to global contraction. As global contraction on the Moon is estimated to be an order of magnitude smaller than on Mercury, the smaller scale of lunar wrinkle ridges suggests they most likely form primarily by load induced subsidence of the mare basalt. Wrinkle ridges located in lunar mascon basins and in the Caloris mascon on Mercury are not statistically significantly different in relief than ridges in non-mascon regions, suggesting comparable levels of contractional strain. The fact that mascon basins do not host wrinkle ridges with greater structural relief relative to non-mascon units may indicate the critical role lithospheric thickness plays in controlling subsidence and contraction of thick volcanic sequences on the Moon and Mercury.

Global contraction↗

Integrating Natural Language Processing and Machine Learning Algorithms to Categorize Oncologic Response in Radiology Reports

A significant volume of medical data remains unstructured. Natural language processing (NLP) and machine learning (ML) techniques have shown to successfully extract insights from radiology reports. However, the codependent effects of NLP and ML in this context have not been well-studied. Between April 1, 2015 and November 1, 2016, 9418 cross-sectional abdomen/pelvis CT and MR examinations containing our internal structured reporting element for cancer were separated into four categories: Progression, Stable Disease, Improvement, or No Cancer. We combined each of three NLP techniques with five ML algorithms to predict the assigned label using the unstructured report text and compared the performance of each combination. The three NLP algorithms included term frequency-inverse document frequency (TF-IDF), term frequency weighting (TF), and 16-bit feature hashing. The ML algorithms included logistic regression (LR), random decision forest (RDF), one-vs-all support vector machine (SVM), one-vs-all Bayes point machine (BPM), and fully connected neural network (NN). The best-performing NLP model consisted of tokenized unigrams and bigrams with TF-IDF. Increasing N-gram length yielded little to no added benefit for most ML algorithms. With all parameters optimized, SVM had the best performance on the test dataset, with 90.6 average accuracy and F score of 0.813. The interplay between ML and NLP algorithms and their effect on interpretation accuracy is complex. The best accuracy is achieved when both algorithms are optimized concurrently.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Atacama Cosmology Telescope measurements of a large sample of candidates from the Massive and Distant Clusters of WISE Survey

Galaxy clusters are an important tool for cosmology, and their detection and characterization are key goals for current and future surveys. Using data from the Wide-field Infrared Survey Explorer (WISE), the Massive and Distant Clusters of WISE Survey (MaDCoWS) located 2839 significant galaxy overdensities at redshifts 0.7 ≲ z ≲ 1.5, which included extensive follow-up imaging from the Spitzer Space Telescope to determine cluster richnesses. Concurrently, the Atacama Cosmology Telescope (ACT) has produced large area millimeter-wave maps in three frequency bands along with a large catalog of Sunyaev-Zeldovich (SZ)-selected clusters as part of its Data Release 5 (DR5). Aims. We aim to verify and characterize MaDCoWS clusters using measurements of, or limits on, their thermal SZ effect signatures. Here, we also use these detections to establish the scaling relation between SZ mass and the MaDCoWS-defined richness.

79 ASTRONOMY AND ASTROPHYSICS↗

Reirradiation of Recurrent and Second Primary Head and Neck Cancer With Proton Therapy

Purpose: To report the clinical outcomes of head and neck reirradiation with proton therapy. Methods and Materials: From 2004 to 2014, 61 patients received curative-intent proton reirradiation, primarily for disease involving skull base structures, at a median of 23 months from the most recent previous course of radiation. Most had squamous cell (52.5%) or adenoid cystic (16.4%) carcinoma. Salvage surgery before reirradiation was undertaken in 47.5%. Gross residual disease was present in 70.5%. For patients with microscopic residual disease, the median dose of reirradiation was 66 Gy (relative biological effectiveness), and for gross disease was 70.2 Gy (relative biological effectiveness). Concurrent chemotherapy was given in 27.9%. Results: The median follow-up time was 15.2 months and was 28.7 months for patients remaining alive. The 2-year overall survival estimate was 32.7%, and the median overall survival was 16.5 months. The 2-year cumulative incidence of local failure with death as a competing risk was 19.7%; regional nodal failure, 3.3%; and distant metastases, 38.3%. On multivariable analysis, Karnofsky performance status ≤70%, the presence of a gastrostomy tube before reirradiation, and an increasing number of previous courses of radiation therapy were associated with a greater hazard ratio for death. A cutaneous primary tumor, gross residual disease, increasing gross tumor volume, and a lower radiation dose were associated with a greater hazard ratio for local failure. Grade ≥3 toxicities were seen in 14.7% acutely and 24.6% in the late setting, including 3 treatment-related deaths. Conclusions: Reirradiation with proton therapy, with or without chemotherapy, provided reasonable locoregional disease control, toxicity profiles, and survival outcomes for an advanced-stage and heavily pretreated population. Additional data are needed to identify which patients are most likely to benefit from aggressive efforts to achieve local disease control and to evaluate the potential benefit of proton therapy relative to other modalities of reirradiation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-E-J-77: Dose Tracking On An MR-Linac for Online QA and Plan Adaptation in Abdominal Organs

Recent developments made MRI-guided radiotherapy feasible. Simultaneously performed imaging during dose delivery reveals the influence of changes in anatomy not yet known at the planning stage. When targeting highly motile abdominal organs, respiratory gating is commonly employed in MRI and investigated in external beam radiotherapy to mitigate malicious motion effects. The purpose of the presented work is to investigate anatomy-adaptive dose reconstruction in the treatment of abdominalorgans using concurrent (duplex) gating of an integrated MRlinac modality.Using navigators, 3D-MR images were sampled during exhale phase, requiring 3s per axial volume (360×260×100mm{sup 3}, waterselective T1w-FFE). Deformation vector fields (DVF) were calculated for all imaging dynamics with respect to initial anatomy, yielding an estimation of anatomy changes over the time of a fraction. A pseudo-CT was generated from the outline of a reference MR image, assuming a water-filled body. Consecutively, a treatment was planned on a fictional kidney lesion and optimized simulating a 6MV linac in a 1.5T magnetic field. After delivery, using the DVF, the pseudo-CT was deformed and dose accumulated for every individual gating interval yielding the true accumulated dose on the dynamic anatomy during beam-on.Dose-volume parameters on the PTV show only moderate changes when incorporating motion, i.e. ΔD{sub 99} (GTV)=0.3Gy with D{sub 99} (GTV)=20Gy constraints. However, local differences in the PTV region showed underdosages as high as 2.7Gy and overdosages up to 1.4Gy as compared to the optimized dose on static anatomy.A dose reconstruction toolchain was successfully implemented and proved its potential in the duplex gated treatment of abdominal organs by means of an MR-linac modality. While primary dose constraints were not violated on the fictional test data, large deviations could be found locally, which are left unaccounted for in conventional treatments. Dose-tracking of both target structures and organs at risk using 3D MRI during treatment enables truly adaptive hypofractionated radiotherapy. This work was funded by the SoRTS consortium, which includes the industry partners Elekta, Philips and Technolution.

60 APPLIED LIFE SCIENCES↗

Incorporating root hydraulic redistribution in CLM4.5: Effects on predicted site and global evapotranspiration, soil moisture, and water storage

We implemented the Amenu-Kumar model in the Community Land Model (CLM4.5) to simulate plant Root Hydraulic Redistribution (RHR) and analyzed its influence on CLM hydrology from site to global scales. We evaluated two numerical implementations: the first solved the coupled equations of root and soil water transport concurrently, while the second solved the two equations sequentially. Through sensitivity analysis, we demonstrate that the sequentially coupled implementation (SCI) is numerically incorrect, whereas the tightly coupled implementation (TCI) is numerically robust with numerical time steps varying from 1 to 30 min. At the site-level, we found the SCI approach resulted in better agreement with measured evapotranspiration (ET) at the AmeriFlux Blodgett Forest site, California, whereas the two approaches resulted in equally poor agreement between predicted and measured ET at the LBA Tapajos KM67 Mature Forest site in Amazon, Brazil. Globally, the SCI approach overestimated annual land ET by as much as 3.5 mm d -1 in some grid cells when compared to the TCI estimates. These comparisons demonstrate that TCI is a more robust numerical implementation of RHR. However, we found, even with TCI, that incorporating RHR resulted in worse agreement with measured soil moisture at both the Blodgett Forest and Tapajos sites and degraded the agreement between simulated terrestrial water storage anomaly and Gravity Recovery and Climate Experiment (GRACE) observations. We find including RHR in CLM4.5 improved ET predictions compared with the FLUXNET-MTE estimates north of 20° N but led to poorer predictions in the tropics. The biases in ET were robust and significant regardless of the four different pedotransfer functions or of the two meteorological forcing data sets we applied. We also found that the simulated water table was unrealistically sensitive to RHR. Therefore, we contend that further structural and data improvements are warranted to improve the hydrological dynamics in CLM4.5.

58 GEOSCIENCES↗

The Simons Observatory: science goals and forecasts for the enhanced Large Aperture Telescope

We describe updated scientific goals for the wide-field, millimeter-wave survey that will be produced by the Simons Observatory (SO). Significant upgrades to the 6-meter SO Large Aperture Telescope (LAT) are expected to be complete by 2028, and will include a doubled mapping speed with 30,000 new detectors and an automated data reduction pipeline. In addition, a new photovoltaic array will supply most of the observatory's power. The LAT survey will cover about 60% of the sky at a regular observing cadence, with five times the angular resolution and ten times the map depth of the Planck satellite. The science goals are to: (1) determine the physical conditions in the early universe and constrain the existence of new light particles; (2) measure the integrated distribution of mass, electron pressure, and electron momentum in the late-time universe, and, in combination with optical surveys, determine the neutrino mass and the effects of dark energy via tomographic measurements of the growth of structure at redshifts z ≲ 3; (3) measure the distribution of electron density and pressure around galaxy groups and clusters, and calibrate the effects of energy input from galaxy formation on the surrounding environment; (4) produce a sample of more than 30,000 galaxy clusters, and more than 100,000 extragalactic millimeter sources, including regularly sampled AGN light-curves, to study these sources and their emission physics; (5) measure the polarized emission from magnetically aligned dust grains in our Galaxy, to study the properties of dust and the role of magnetic fields in star formation; (6) constrain asteroid regoliths, search for Trans-Neptunian Objects, and either detect or eliminate large portions of the phase space in the search for Planet 9; and (7) provide a powerful new window into the transient universe on time scales of minutes to years, concurrent with observations from the Vera C. Rubin Observatory of overlapping sky.

79 ASTRONOMY AND ASTROPHYSICS↗

CHESS 2025: Discrete-return LiDAR point clouds from NEON AOP surveys

This dataset provides Level 1 (L1) discrete-return light detection and ranging (LiDAR) point cloud data collected for the 2025 Colorado Headwaters Ecological Spectroscopy Study (CHESS). These data were acquired to enable characterization of vegetation structure and other three-dimensional features of the land surface, and to evaluate structural changes that may have occurred between a prior LiDAR acquisition in 2018 and the 2025 overflight. The data were acquired over three study domains in the Upper Gunnison river basin: the upper East River watershed (CRBU); Almont Triangle and Taylor Canyon (ALMO); and Upper Taylor River watershed (UPTA) between 2025-06-13 and 2025-07-15. LiDAR data were acquired using the Optech Galaxy Prime Airborne LiDAR Terrain Mapper onboard the National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP). These are the primary unclassified discrete-return LiDAR data delivered by NEON and are provided per flightline as LASzip (LAZ) 1.4 Format 6 files. Data were processed following the workflow described in the NEON L0-to-L1 Discrete Return LiDAR Algorithm Theoretical Basis Document (Krause and Goulden 2022). Each record in the unclassified point clouds represents a geolocated laser target/return recorded by the LiDAR system, with values for X, Y, Z position and return intensity. All point coordinates are provided in meters. Horizontal coordinates are referenced in Universal Transverse Mercator (UTM) zone 13N and the World Geodetic System (WGS) 1984 ensemble datum. Elevations are referenced to Geoid12A. Flight metadata describing flightline boundaries and positional uncertainty by point are also included. CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

2018 NEON and 2025 CHESS Campaigns↗

Evolution, Current State of the Art, and Interpretation of Aircraft-Based Methane Emission Quantification at the Natural Gas Basin-Level

Accurately quantifying methane (CH4) emissions from the oil and gas (O&G) industry is challenging given the existence of many potential emission sources, differences in industry practices and regulations, and often incomplete or out-of-date activity data. It is thus important to regularly assess emission inventories and support improvements by deriving independent estimates using state-of-the-science approaches. Recent research has provided CH4 emission estimates from the O&G supply chains based on different measurement techniques at multiple spatio-temporal scales. Natural gas basin-scale aircraft-based atmospheric measurements indicate greater CH4 emissions than emission inventories based on up-scaling of component-/facility-level emission measurements from a relatively small sample size. Here we present results from a coordinated field study that compares concurrent CH4 emission measurements using different techniques and scales to better understand the strengths and weaknesses of each approach, with a focus on the aircraft-based estimation method. We describe the importance of (i) decades of measurement technology development, (ii) experience in designing measurement sampling strategies and aligning system boundaries, and (Hi) properly interpreting CH4 emission estimates for successfully reconciling aircraft-based measurements with emission inventories and for identifying CH4 emission mitigation potential. We illustrate that aircraft-based top-down estimates represent a brief snapshot of total basin-level CH4 emissions. Thus, a high spatio-temporally resolved bottom-up emission inventory is needed to identify key CH4 sources (including episodic sources) at the process level. While this paper provides a brief overview of the overall study design and findings, its focus is on the implementation of the aircraft measurements and its interpretation and results. A separate paper describes in more detail the overall organizational structure of the study as well as the study implications from an industry perspective.

03 NATURAL GAS↗