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DOE OSTI2025

Novel CHI3L1 ‐Associated Angiogenic Phenotypes Define Glioma Microenvironments: Insights From Multi‐Omics Integration

ABSTRACT The CHI3L1 signaling pathway significantly influences glioma angiogenesis, but its role in the tumor microenvironment (TME) remains elusive. We propose a novelCHI3L1‐associated vascular phenotype classification for glioma through integrative analyses of multiple datasets with bulk and single‐cell transcriptome, genomics, digital pathology, and clinical data. We investigated the biological characteristics, genomic alterations, therapeutic vulnerabilities, and immune profiles within these phenotypes through a comprehensive multi‐omics approach. We constructed the vascular‐related risk (VR) score based onCHI3L1‐associated vascular signatures (CAVS) identified by machine learning algorithms. Utilizing unsupervised consensus clustering, gliomas were stratified into three distinct vascular phenotypes: Cluster A, marked by high vascularization and stromal activation with a relatively low levels of tumor‐infiltrating lymphocytes (TILs); Cluster B, characterized by moderate vascularization and stromal activity, coupled with a high density of TILs; and Cluster C, defined by low vascularization and sparse immune cell infiltration. We observed that the CAVS effectively indicated glioma‐associated angiogenesis and immune suppression by single‐cell RNA‐seq analysis. Moreover, the high‐VR‐score group exhibited enhanced angiogenic activity, reduced immune response, resistance to immunotherapy, and poorer clinical outcomes. The VR score independently predicted glioma prognosis and, combined with a nomogram, provided a robust clinical decision‐making tool. Potential drug prediction based on transcription factors for high‐risk patients was also performed. Our study reveals thatCHI3L1‐associated vascular phenotypes shape distinct immune landscapes in gliomas, offering insights for optimizing therapeutic strategies to improve patient outcomes.

Oncology↗

NASA NTRS2019

Historical (1700–2012) Global Multi-Model Estimates of the Fire Emissions from the Fire Modeling Intercomparison Project (FireMIP)

Fire emissions are critical for carbon and nutrient cycles, climate, and air quality. Dynamic Global Vegetation Models (DGVMs) with interactive fire modeling provide important estimates for long-term and large-scale changes of fire emissions. Here we present the first multi-model estimates of global gridded historical fire emissions for 1700-2012, including carbon and 33 species of trace gases and aerosols. The dataset is based on simulations of nine DGVMs with different state-of-the-art global fire models that participated in the Fire Modeling Intercomparison Project (FireMIP), using the same and standardized protocols and forcing data, and the most up-to-date fire emission factor table from field and laboratory studies over various land cover types. We evaluate the simulations of present-day fire emissions by comparing them with satellite-based products. Evaluation results show that most DGVMs simulate present-day global fire emission totals within the range of satellite-based products, and can capture the high emissions over the tropical savannas, low emissions over the arid and sparsely vegetated regions, and the main features of seasonality. However, most of the models fail to simulate the interannual variability, partly due to a lack of modeling peat fires and tropical deforestation fires. Historically, all models show only a weak trend in global fire emissions before ~1850s, consistent with multi-source merged historical reconstructions. The long-term trends among DGVMs are quite different for the 20th century, with some models showing an increase and others a decrease in fire emissions, mainly as a result of the discrepancy in their simulated responses to human population density change and land-use and land-cover change (LULCC). Our study provides a basic dataset for developing regional and global multi-source merged historical reconstructions and merging methods, and analyzing historical changes of fire emissions and their uncertainties as well as their role in the Earth system. It also highlights the importance of accurately modeling the responses of fire emissions to LULCC and population density change in reducing uncertainties in historical reconstructions of fire emissions and providing more reliable future projections.

Li, Fang↗

NASA NTRS2014

Evaluating an Automated Approach for Monitoring Forest Disturbances in the Pacific Northwest from Logging, Fire and Insect Outbreaks with Landsat Time Series Data

Forests are the largest aboveground sink for atmospheric carbon (C), and understanding how they change through time is critical to reduce our C-cycle uncertainties. We investigated a strong decline in Normalized Difference Vegetation Index (NDVI) from 1982 to 1991 in Pacific Northwest forests, observed with the National Ocean and Atmospheric Administration's (NOAA) series of Advanced Very High Resolution Radiometers (AVHRRs). To understand the causal factors of this decline, we evaluated an automated classification method developed for Landsat time series stacks (LTSS) to map forest change. This method included: (1) multiple disturbance index thresholds; and (2) a spectral trajectory-based image analysis with multiple confidence thresholds. We produced 48 maps and verified their accuracy with air photos, monitoring trends in burn severity data and insect aerial detection survey data. Area-based accuracy estimates for change in forest cover resulted in producer's and user's accuracies of 0.21 +/- 0.06 to 0.38 +/- 0.05 for insect disturbance, 0.23 +/- 0.07 to 1 +/- 0 for burned area and 0.74 +/- 0.03 to 0.76 +/- 0.03 for logging. We believe that accuracy was low for insect disturbance because air photo reference data were temporally sparse, hence missing some outbreaks, and the annual anniversary time step is not dense enough to track defoliation and progressive stand mortality. Producer's and user's accuracy for burned area was low due to the temporally abrupt nature of fire and harvest with a similar response of spectral indices between the disturbance index and normalized burn ratio. We conclude that the spectral trajectory approach also captures multi-year stress that could be caused by climate, acid deposition, pathogens, partial harvest, thinning, etc. Our study focused on understanding the transferability of previously successful methods to new ecosystems and found that this automated method does not perform with the same accuracy in Pacific Northwest forests. Using a robust accuracy assessment, we demonstrate the difficulty of transferring change attribution methods to other ecosystems, which has implications for the development of automated detection/attribution approaches. Widespread disturbance was found within AVHRR-negative anomalies, but identifying causal factors in LTSS with adequate mapping accuracy for fire and insects proved to be elusive. Our results provide a background framework for future studies to improve methods for the accuracy assessment of automated LTSS classifications.

Landsat↗

DOE OSTI2024

Grazing Incidence Wide-Angle X-ray Scattering of Water Adsorption in Polyamide Barrier Layers of Reverse Osmosis Membranes

To understand the relationship between the intermolecular structure of aromatic polyamide (PA) scaffold and the water molecules in the barrier layers of reverse osmosis (RO) membranes, a grazing incidence wide-angle X-ray scattering (GIWAXS) study was carried out on freestanding PA thin films at varying relative humidity (RH) conditions. The scattering results were analyzed by an interference scattering model, containing a phase factor between a PA chain and an adsorbed water molecule. This model yielded good fits to the GIWAXS profiles where the water adsorption was found to vary linearly with RH. Atomistic molecular dynamics (MD) simulations were also performed to complement the experimental study. Furthermore, the simulations revealed that a rapid condensation layer initially formed on the PA film surface, followed by the slow water molecule diffusion inside the PA membrane. Sparse adsorbed water, isolated in subnanopores of the PA film adjacent to the polar atoms, even in very low quantities, modifies the X-ray scattering. Atomistic simulations at the microscopic scale provide partial support for several X-ray scattering findings.

36 MATERIALS SCIENCE↗

NASA NTRS2022

Megadroughts in the Common Era and the Anthropocene

Megadroughts, often lasting multiple decades, have caused major ecological and societal disturbances in the past. While most research has focused on megadroughts in North America, the concept has gained increased international attention in recent years. In this Review, we discuss shared causes and features of Common Era and future megadroughts. Paleoclimate reconstructions spanning the last 2,000 years document the occurrence of megadroughts on every continent, save Antarctica. Megadroughts are often linked to decadal variations in sea surface temperatures, with radiative forcing and land-atmosphere interactions acting as secondary factors. Anthropogenic climate change has already contributed to recent megadroughts in southwestern North America and Chile-Argentina and will likely increase future megadrought risk and severity in many regions. Notably, future megadroughts will be differentiated from past events through higher temperatures, which act as the main driver of increased risk, severity, and impacts. Major deficiencies in our understanding of natural and anthropogenic megadrought processes remain, however. These include 1) sparse high-resolution paleoclimate information over some regions, 2) incomplete representations of internal variability and land-surface processes in climate models, and 3) the undetermined capacity of water-resource management systems to manage megadrought impacts. Resolving these key uncertainties will be necessary to increase confidence in projections of future megadrought risk and resiliency planning.

Droughts↗

DOE OSTI2024

Analytically differentiable metrics for phase stability

Here, in this work, a long-established but sparsely documented method of obtaining semi-analytic derivatives of thermodynamic properties with respect to equilibrium conditions is briefly reviewed and rigorously derived. This procedure is then leveraged to construct general forms of derivatives of the residual driving force, a metric for measuring phase stability used in CALPHAD model optimization, with respect to overall system and individual phase compositions. Applied examples – calculating heat capacity in the Al-Fe system, thermodynamic factors in the Nb-V-W system, and residual driving force derivatives in the Ni-Ti system – demonstrate the versatility, accuracy, and extensibility of this method. Using the developed method, residual driving force gradients can be applied directly in CALPHAD model optimizers, as well as in materials design frameworks, to identify regions of phase stability with an efficient, gradient-based approach.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Parallel Preconditioning for CFD Problems on the CM-5

Up to today, preconditioning methods on massively parallel systems have faced a major difficulty. The most successful preconditioning methods in terms of accelerating the convergence of the iterative solver such as incomplete LU factorizations are notoriously difficult to implement on parallel machines for two reasons: (1) the actual computation of the preconditioner is not very floating-point intensive, but requires a large amount of unstructured communication, and (2) the application of the preconditioning matrix in the iteration phase (i.e. triangular solves) are difficult to parallelize because of the recursive nature of the computation. Here we present a new approach to preconditioning for very large, sparse, unsymmetric, linear systems, which avoids both difficulties. We explicitly compute an approximate inverse to our original matrix. This new preconditioning matrix can be applied most efficiently for iterative methods on massively parallel machines, since the preconditioning phase involves only a matrix-vector multiplication, with possibly a dense matrix. Furthermore the actual computation of the preconditioning matrix has natural parallelism. For a problem of size n, the preconditioning matrix can be computed by solving n independent small least squares problems. The algorithm and its implementation on the Connection Machine CM-5 are discussed in detail and supported by extensive timings obtained from real problem data.

Simon, Horst D.↗

DOE OSTI2020

National population mapping from sparse survey data: A hierarchical Bayesian modeling framework to account for uncertainty

Population estimates are critical for government services, development projects, and public health campaigns. Such data are typically obtained through a national population and housing census. However, population estimates can quickly become inaccurate in localized areas, particularly where migration or displacement has occurred. Some conflict-affected and resource-poor countries have not conducted a census in over 10 y. We developed a hierarchical Bayesian model to estimate population numbers in small areas based on enumeration data from sample areas and nationwide information about administrative boundaries, building locations, settlement types, and other factors related to population density. We demonstrated this model by estimating population sizes in every 10- m grid cell in Nigeria with national coverage. These gridded population estimates and areal population totals derived from them are accompanied by estimates of uncertainty based on Bayesian posterior probabilities. The model had an overall error rate of 67 people per hectare (mean of absolute residuals) or 43% (using scaled residuals) for predictions in out-of-sample survey areas (approximately 3 ha each), with increased precision expected for aggregated population totals in larger areas. This statistical approach represents a significant step toward estimating populations at high resolution with national coverage in the absence of a complete and recent census, while also providing reliable estimates of uncertainty to support informed decision making.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2015

Application of High Performance Computing for Studying Cyclic Variability in Dilute Internal Combustion Engines

Combustion instabilities in dilute internal combustion engines are manifest in cyclic variability (CV) in engine performance measures such as integrated heat release or shaft work. Understanding the factors leading to CV is important in model-based control, especially with high dilution where experimental studies have demonstrated that deterministic effects can become more prominent. Observation of enough consecutive engine cycles for significant statistical analysis is standard in experimental studies but is largely wanting in numerical simulations because of the computational time required to compute hundreds or thousands of consecutive cycles. We have proposed and begun implementation of an alternative approach to allow rapid simulation of long series of engine dynamics based on a low-dimensional mapping of ensembles of single-cycle simulations which map input parameters to output engine performance. This paper details the use Titan at the Oak Ridge Leadership Computing Facility to investigate CV in a gasoline direct-injected spark-ignited engine with a moderately high rate of dilution achieved through external exhaust gas recirculation. The CONVERGE™ CFD software was used to perform single-cycle simulations with imposed variations of operating parameters and boundary conditions selected according to a sparse grid sampling of the parameter space. Using an uncertainty quantification technique, the sampling scheme is chosen similar to a design of experiments grid but uses algorithms designed to minimize the number of samples required to achieve a desired degree of accuracy. The simulations map input parameters to output metrics of engine performance for a single cycle, and by mapping over a large parameter space, results can be interpolated from within that space. This interpolation scheme forms the basis for a low-dimensional ‘metamodel’ (or model of a model) which can be used to mimic the dynamical behavior of corresponding high-dimensional simulations. Simulations of high-EGR spark-ignition combustion cycles within a parametric sampling grid were performed and analyzed statistically, and sensitivities of the physical factors leading to high CV are presented. With these results, the prospect of producing low-dimensional metamodels to describe engine dynamics at any point in the parameter space will be discussed. Additionally, modifications to the methodology to account for nondeterministic effects in the numerical solution environment are proposed.

Finney, Charles E. A.↗

NASA NTRS2006

Manufacture of Sparse-Spectrum Optical Microresonators

An alternative design for dielectric optical microresonators and a relatively simple process to fabricate them have been proposed. The proposed microresonators would exploit the same basic physical phenomena as those of microtorus optical resonators and of the microsphere optical resonators described elsewhere. The resonances in such devices are associated with the propagation of electromagnetic waves along circumferential paths in "whispering-gallery" modes. The main advantage afforded by the proposal is that the design and the fabrication process are expected to be amenable to production of multiple microresonators having reproducible spectral parameters -- including, most notably, high values of the resonance quality factor (Q) and reproducible resonance frequencies.

Savchenkov, Anatoliy↗

DOE OSTI2021

A novel network-based approach to determining measurement representation error for model evaluation of aerosol microphysical properties

Atmospheric aerosol size and abundance influence radiative effects and climate change. To date, efforts to constrain global climate models’ radiative forcing with in situ aerosol observations have been hamstrung by uncertainty. One source of error, the regional “representation error,” arises when accurate but sparse single-point measurements of atmospheric aerosol distributions are compared with a model value, assuming that the single-point measurement is representative of the model domain. The Portable Optical Particle Spectrometer network in the Southern Great Plains (POPSnet-SGP) campaign has demonstrated that a network of nearly autonomous aerosol instruments operating at ambient temperature and relative humidity (with low measurement error) may be used to quantify measurement representation error and investigate the factors introducing heterogeneity in aerosol distributions across a rural, continental background region. Measurements were made using Portable Optical Particle Spectrometer (POPS) instruments at several sites for five months across the Department of Energy’s Aerosol Radiation Measurement Southern Great Plains (ARM-SGP) User Facility in the central USA. Measurement representation error decreased with longer averaging periods (20-40 % between 1 sec and 1 day), varied between sites by 10 – 20 % for aerosol concentration 140 – 2500 nm in diameter (N_140), and was higher for aerosols > 400 nm in diameter (N_400). Our measurements also show the influence of local meteorology on aerosol surface area (A_140) and size distributions: A_140 is positively correlated with wind speed and relative humidity, negatively correlated with precipitation, and lower given westerly winds. Based on this study, we conclude that the POPSnet approach provides considerably more insight into the spatial variability in the aerosol population that can be used to constrain climate models than would be available from similar networks of PM 2.5 monitors.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1985

Modeling the radiant transfers of sparse vegetation canopies

The scattering dynamics of sparse vegetation canopies were studied within the framework of the three-dimensional radiative transfer model of Kimes (1984). The model was upgraded by including an algorithm for the anisotropic scattering of a soil boundary. Validation of the model was carried out using measured directional reflectance data for two canopies exhibiting typical scattering behavior with low and intermediate vegetation density. The canopies were: an orchard grass canopy; and a hard wheat canopy. A number of factors were found contributing to the final reflectance distribution of the canopies, including: (1) the strong anisotropic scattering properties of the soil; (2) the geometric effect of the vegetation probability gap function on the soil anisotropy and solar irradiance; and (3) the anisotropic scattering of vegetation which is controlled by the phase function and the layering of leaves. The application of the theoretical results to the development of earth-observing sensor systems is discussed.

Kimes, D. S.↗

DOE OSTI2024

Spin-EPR-pair separation by conveyor-mode single electron shuttling in Si/SiGe

Long-ranged coherent qubit coupling is a missing function block for scaling up spin qubit based quantum computing solutions. Spin-coherent conveyor-mode electron-shuttling could enable spin quantum-chips with scalable and sparse qubit-architecture. Its key feature is the operation by only few easily tuneable input terminals and compatibility with industrial gate-fabrication. Single electron shuttling in conveyor-mode in a 420 nm long quantum bus has been demonstrated previously. Here we investigate the spin coherence during conveyor-mode shuttling by separation and rejoining an Einstein-Podolsky-Rosen (EPR) spin-pair. Compared to previous work we boost the shuttle velocity by a factor of 10000. We observe a rising spin-qubit dephasing time with the longer shuttle distances due to motional narrowing and estimate the spin-shuttle infidelity due to dephasing to be 0.7% for a total shuttle distance of nominal 560 nm. Shuttling several loops up to an accumulated distance of 3.36 μm, spin-entanglement of the EPR pair is still detectable, giving good perspective for our approach of a shuttle-based scalable quantum computing architecture in silicon.

42 ENGINEERING↗

DOE OSTI2016

Application of High Performance Computing for Simulating Cycle-to-Cycle Variation in Dual-Fuel Combustion Engines

Interest in operational cost reduction is driving engine manufacturers to consider lower-cost fuel substitution in heavy-duty diesel engines. These dual-fuel (DF) engines could be operated either in diesel-only mode or operated with premixed natural gas (NG) ignited by a pilot flame of compression-ignited direct-injected diesel fuel. One promising application is that of large-bore, medium-speed engines such as those used in locomotives. With realistic natural gas substitution levels in the fleet of locomotives currently in service, such fuel substitution could result in billions of dollars of savings annually in the US alone. However, under certain conditions, dual-fuel operation can result in increased cycle-to-cycle variability (CCV) during combustion, resulting in variations in cylinder pressure and work extraction. In certain situations, the CCV of dual-fuel operation can be notably higher than that of diesel-only combustion under similar operating conditions. Excessive CCV can limit the NG substitution rate and operating range of a dual-fuel engine by increasing emissions and reducing engine stability, reliability and fuel efficiency via incomplete natural-gas combustion. Running multiple engine cycles in series to simulate CCV can be quite time consuming. Hence innovative modelling techniques and large computing resources are needed to investigate the factors affecting CCV in dual-fuel engines. This paper discusses the use of the High Performance Computing resource Titan, at the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, to investigate cycle-to-cycle combustion variability of a dual-fuel engine. The CONVERGE CFD software was used to simulate multiple, parallel single cycles of dual-fuel combustion with perturbed operating parameters and boundary conditions. These perturbations are imposed according to a sparse grids sampling of the parameter space. The sampling scheme chosen is similar to a design of experiments method but uses functions designed to minimize the number of samples required to achieve a desired degree of accuracy. The perturbed input parameters were connected to engine performance output over a large parameter space. Additionally, the same methodology was used to perform a set of diesel-only simulations at similar operating conditions to assess the numerical capability of capturing relatively low combustion variation. Lastly, this technique is expected to be useful to understand and predict combustion stability limits (knock and misfire) which are important for designing dual-fuel engines with improved operability and reliability.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1994

Superhumps in cataclysmic binaries. 3: V795 Herculis

We report photometry of the cataclysmic variable V795 Herculis during 1990-1994. Comparison of recent with previously published data shows that the 2.78-hr periodicity has essentially disappeared; the amplitude has diminished by a factor of at least 10. In its place, there is a low-amplitude signal near the radial-velocity (orbital?) period of 2.60 hr. During 1983-1989, the star did show an obvious 2.78-hr signal. We study the published data on this signal, together with our own data under the (questionable) assumption that the signal still exists with an amplitude too small to survive the rigors of unbiased period detection. The data are really too sparse and too poorly distributed to decide the issue of phase stability. But since the photometric signal is transient and exceeds the likely orbital period by approximately 8%, the photometric waves are likely to be yet another example of 'superhumps', the phenomenon made famous by dwarf novae in superoutburst. At high frequencies, the star shows a quasi-periodic signal with P approximately 1160 s, and possibly also a stable signal with P = 1310.2 s (or 1330.4 s, the one-day alias). The beat period between these signals could be the orbital period, or that of the vanished superhump.

Patterson, Joseph↗

NASA NTRS2017

Crater Morphometry and Crater Degradation on Mercury: Mercury Laser Altimeter (MLA) Measurements and Comparison to Stereo-DTM Derived Results

Two types of measurements of Mercury's surface topography were obtained by the MESSENGER (MErcury Surface Space ENvironment, GEochemisty and Ranging) spacecraft: laser ranging data from Mercury Laser Altimeter (MLA) [1], and stereo imagery from the Mercury Dual Imaging System (MDIS) camera [e.g., 2, 3]. MLA data provide precise and accurate elevation meaurements, but with sparse spatial sampling except at the highest northern latitudes. Digital terrain models (DTMs) from MDIS have superior resolution but with less vertical accuracy, limited approximately to the pixel resolution of the original images (in the case of [3], 15-75 m). Last year [4], we reported topographic measurements of craters in the D=2.5 to 5 km diameter range from stereo images and suggested that craters on Mercury degrade more quickly than on the Moon (by a factor of up to approximately 10×). However, we listed several alternative explanations for this finding, including the hypothesis that the lower depth/diameter ratios we observe might be a result of the resolution and accuracy of the stereo DTMs. Thus, additional measurements were undertaken using MLA data to examine the morphometry of craters in this diameter range and assess whether the faster crater degradation rates proposed to occur on Mercury is robust.

morphometry↗

NASA NTRSDate not supplied

Remote Sensing of Hail from Space: Retrievals, Climatologies, and Challenges Going Forward

In addition to the myriad threats that severe hailstorms pose to society, infrastructure and agriculture, severe hail is difficult to measure in situ, and surface-based hail reporting and detection methods are inconsistent and subject to geographical or societal biases. This motivates the use of spaceborne remote-sensing platforms to retrieve hail and construct climatologies in the most globally consistent way. Passive-microwave algorithms leverage the sensitivity of spaceborne passive-microwave radiometers to scattering by hail, particularly in the channels from 10 to 89 GHz. These retrievals are used to construct global climatologies of severe hail. The Bang and Cecil (2019) retrievals has been applied to several different spaceborne sensors: the Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI), Global Precipitation Measurement Mission (GPM) Microwave Imager, Advanced Microwave Scanning Radiometer for EOS (AMSR-E), and Advanced Microwave Scanning Radiometer 2 (AMSR2) sensors and used to construct [near] global climatologies of severe hail. This retrieval, and others, have been tested using Global Precipitation Measurement (GPM) Ku-band precipitation radar, to assess their effectiveness and regional variability. A successful retrieval and climatology are those that correspond tightly to radar reflectivity and give minimal appearance of regional biases, especially with latitude. Satellite platforms offer consistent observations, even in remote, data-sparse, and oceanic regions that ground-based networks exclude. There are, however, potential disconnects between the processes identified aloft by the satellite and the resultant weather at the ground, leading to uncertainties in the retrievals that may propagate into satellite-based climatologies, particularly in the Tropics, where there are abundant strong - but not necessarily hailing - storms that are strongly represented in the current satellite climatologies. There are ongoing efforts to assess and mitigate the contributing factors to these uncertainties, chiefly among them the effects of non-uniform beam filling in the passive-microwave footprint, and the relationships between the size distributions of hailstones aloft and the dynamic processes and environments with which they interact throughout their trajectories.

Sarah D Bang↗

NASA NTRSDate not supplied

Spaceborne Remote Sensing of Hail: Retrievals, Climatologies, and Challenges Going Forward

Sarah D Bang↗