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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,675 records · Page 93
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ATD-2 Field Evaluation of Pre-Departure Trajectory Option Set Reroutes in North Texas Metroplex

The NASA Airspace Technology Demonstration-2 Phase 3 capabilities extend Integrated Arrival, Departure and Surface scheduling to a Metroplex environment where multiple airports are interacting and sharing resources along the terminal boundary. The Phase 3 coordinated scheduling provides pre-departure reroute recommendations to flight operators which reduce delay caused by terminal restrictions. This paper reports results of the Phase 3 Stormy 2021 Field Evaluation conducted between November 2020 and September 2021 in the North Texas Metroplex. During the field evaluation NASA partnered with the FAA, American Airlines, Southwest Airlines, and Envoy Airlines to evaluate Phase 3 capabilities in an operational environment. The benefits results are provided as delay savings metrics measured in time and converted to fuel and emissions savings using detailed fuel flow models provided by flight operators.

ATD-2↗
DOE OSTI2021

The PI3K/mTOR inhibitor Gedatolisib eliminates dormant breast cancer cells in organotypic culture, but fails to prevent metastasis in preclinical settings

Dormant, disseminated tumor cells (DTCs) are thought to be the source of breast cancer metastases several years or even decades after initial treatment. To date, a selective therapy that leads to their elimination has not been discovered. While dormant DTCs resist chemotherapy, evidence suggests that this resistance is driven not by their lack of proliferation, but by their engagement of the surrounding microenvironment, via integrin-β1-mediated interactions. Because integrin-β1-targeted agents have not been translated readily to the clinic, signaling nodes downstream of integrin-β1 could serve as attractive therapeutic targets in order to sensitize dormant DTCs to therapy. By probing a number of kinases downstream of integrin-β1, we determined that PI3K inhibition with either a tool compounds or a compound (PF-05212384; aka Gedatolisib) in clinical trials robustly sensitizes quiescent breast tumor cells seeded in organotypic bone marrow cultures to chemotherapy. These results motivated the preclinical study of whether Gedatolisib—with or without genotoxic therapy—would reduce DTC burden and prevent metastases. Despite promising results in organotypic culture, Gedatolisib failed to reduce DTC burden or delay, reduce or prevent metastasis in murine models of either triple-negative or estrogen receptor-positive breast cancer dissemination and metastasis. This result held true whether analyzing Gedatolisib on its own (vs. vehicle-treated animals) or in combination with dose-dense doxorubicin and cyclophosphamide (vs. animals treated only with dose-dense chemotherapies). These data suggest that PI3K is not the node downstream of integrin-β1 that confers chemotherapeutic resistance to DTCs. More broadly, they cast doubt on the strategy to target PI3K in order to eliminate DTCs and prevent breast cancer metastasis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Extrapolating active layer thickness measurements across Arctic polygonal terrain using LiDAR and NDVI data sets

Landscape attributes that vary with microtopography, such as active layer thickness (ALT), are labor intensive and difficult to document effectively through in situ methods at kilometer spatial extents, thus rendering remotely sensed methods desirable. Spatially explicit estimates of ALT can provide critically needed data for parameterization, initialization, and evaluation of Arctic terrestrial models. In this work, we demonstrate a new approach using high-resolution remotely sensed data for estimating centimeter-scale ALT in a 5 km 2 area of ice-wedge polygon terrain in Barrow, Alaska. We use a simple regression-based, machine learning data-fusion algorithm that uses topographic and spectral metrics derived from multisensor data (LiDAR and WorldView-2) to estimate ALT (2 m spatial resolution) across the study area. Comparison of the ALT estimates with ground-based measurements, indicates the accuracy (r 2 = 0.76, RMSE ±4.4 cm) of the approach. While it is generally accepted that broad climatic variability associated with increasing air temperature will govern the regional averages of ALT, consistent with prior studies, our findings using high-resolution LiDAR and WorldView-2 data, show that smaller-scale variability in ALT is controlled by local eco-hydro-geomorphic factors. This work demonstrates a path forward for mapping ALT at high spatial resolution and across sufficiently large regions for improved understanding and predictions of coupled dynamics among permafrost, hydrology, and land-surface processes from readily available remote sensing data.

58 GEOSCIENCES↗
DOE OSTI2020

CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics**

When choosing experimental conditions, Bayesian statistical tools can predict the experimental choices which will yield the highest information gain. Experimental choices could be temperature, pressure, reaction time, number of measurements, reactor volume, etc.. Three example analyses are presented here, each using the software Chemical Kinetics Parameter Estimation and Uncertainty Quantification (CheKiPEUQ). Information gain is a measure of reduction of uncertainty in a model's parameters. The three chemical system examples presented each illustrate Bayesian Design of Experiments using information gain. In the first chemical example, temperature selection impacts the information gain for the free energy of reaction in a two-component equilibrium reaction. In the second example, temperature and pressure are explored for a competitive adsorption Langmuir replacement reaction system. Finally, the third example is a catalytic membrane reactor which is a culmination of the previous examples. The catalytic membrane reactor has a complex and nonlinear response in the observables which is solved by numerical evaluation. In the three examples, the experimental conditions are treated as design variables for maximizing information gain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules

Although computational models have been used to predict adsorption of molecules in large libraries of porous adsorbents, previous work of this kind has focused on a small number of molecules as potential adsorbates. In this paper we use molecular simulations to consider the adsorption of a diverse range of molecules in a large collection of metal-organic framework (MOF) materials. Specifically, we obtain 11,304 isotherms from molecular simulations of 24 different adsorbates in 471 MOFs. This information allows us to explore several interesting questions that could not be addressed with previously available data. Here, we introduce highly computationally efficient methods that can predict isotherms for a wide range of adsorbing molecules with far less computation than traditional molecular simulations. By characterizing the 276 binary mixtures defined by the molecules we considered, we show that “privileged” adsorbents exist that are effective for separating many different molecular mixtures. Finally, we show that correlations that have been developed previously to predict molecular solubility in polymers are surprisingly effective in predicting the average properties of molecules adsorbing in MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effect of wavelength and filter set choices on fluorogenic thrombin generation assay: Considerations for interlaboratory differences

Insufficient agreement between results of various in–house and commercial thrombin generation (TG) assays complicates TG adoption and use. can be caused by different assay variables, for example, volumes and concentrations of reagents. Although most modern assays employ the same fluorogenic thrombin substrate Z–Gly–Gly–Arg 7–amino–4–methylcoumarin (ZGGR–AMC), the excitation (Ex) and emission (Em) wavelengths used for fluorescence signal measurements can be different.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Network Modeling of Complex Data Sets

We demonstrate a selection of network and machine learning techniques useful in the analysis of complex datasets, including 2-way similarity networks, Markov clustering, enrichment statistical networks, FCROS differential analysis, and random forests. We demonstrate each of these techniques on the Populus trichocarpa gene expression atlas.

Jones, Piet C.↗
DOE OSTI2023

Trigger Detection for the sPHENIX Experiment via Bipartite Graph Networks with Set Transformer

Trigger (interesting events) detection is crucial to high-energy and nuclear physics experiments because it improves data acquisition efficiency. It also plays a vital role in facilitating the downstream offline data analysis process. The sPHENIX detector, located at the Relativistic Heavy Ion Collider in Brookhaven National Laboratory, is one of the largest nuclear physics experiments on a world scale and is optimized to detect physics processes involving charm and beauty quarks. Furthermore, these particles are produced in collisions involving two proton beams, two gold nuclei beams, or a combination of the two and give critical insights into the formation of the early universe. This paper presents a model architecture for trigger detection with geometric information from two fast silicon detectors. Transverse momentum is introduced as an intermediate feature from physics heuristics. We also prove its importance through our training experiments. Each event consists of tracks and can be viewed as a graph. A bipartite graph neural network is integrated with the attention mechanism to design a binary classification model. Compared with the state-of-the-art algorithm for trigger detection, our model is parsimonious and increases the accuracy and the AUC score by more than 15%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Measurement of CP violation in $B_s^0\to J/\psi \phi$ decays using the full CDF data set

We report on the final measurement of the CP-violating $B_s^0$ mixing phase $\beta_s^{J/ψφ}$ in √s = 1.96 TeV proton-antiproton collisions collected with the Collider Detector at the Fermilab Tevatron collider. Using a sample corresponding to 9.6 fb -1 of integrated luminosity, we fit the decay-time evolution of $B_s^0$ → J/ψ (→ μ + μ - ) φ (→ K + K ₋ ) decays in which the b-quark content at production and the CP parity of the final state are identified. The interference of decays with and without mixing renders the $B_s^0$ mixing phase observable. The phase is determined to be -0.06 < $\beta_s^{J/ψφ}$ < 0.30 at 68% confidence level. The decay-width difference between heavy and light $B_s^0$ eigenstates, and the average $B_s^0$ lifetime are also determined to be ΔΓ s = 0.068 ± 0.027 ps -1 and $\tau_s$ = 1.528 ± 0.021 ps, respectively. These results are among the world’s most precise from a single experiment, and compatible with standard model predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Querying Large Scientific Data Sets with Adaptable IO System ADIOS

When working with a large dataset, a relatively small fraction of data records are of interest in each analysis operation. For example, while examining a billion-particle dataset from an accelerator model, the scientists might focus on a few thousand fastest particles, or on the particle farthest from the beam center. In general, this type of selective data access is challenging because the selected data records could be anywhere in the dataset and require a significant amount of time to locate and retrieve. In this paper, we report our experience of addressing this data access challenge with the Adaptable IO System ADIOS. More specifically, we design a query interface for ADIOS to allow arbitrary combinations of range conditions on known variables, implement a number of different mechanisms for resolving these selection conditions, and devise strategies to reduce the time needed to retrieve the scattered data records. In many cases, the query mechanism can retrieve the selected data records orders of magnitude faster than the brute-force approach.Our work relies heavily on the in situ data processing feature of ADIOS to allow user functions to be executed in the data transport pipeline. This feature allows us to build indexes for efficient query processing, and to perform other intricate analyses while the data is in memory.

Gu, Junmin↗
DOE OSTI2018

Time-dependent observables in heavy ion collisions. Part I. Setting up the formalism

We adapt the Schwinger-Keldysh formalism to study heavy-ion collisions in perturbative QCD. Employing the formalism, we calculate the two-point gluon correlation function G aμ, bν 22 due to the lowest-order classical gluon fields in the McLerran-Venugopalan model of heavy ion collisions and observe an interesting transition from the classical fields to the quasi-particle picture at later times. Motivated by this observation, we push the formalism to higher orders in the coupling and calculate the contribution to G aμ, bν 22 coming from the diagrams representing a single rescattering between two of the produced gluons. We assume that the two gluons go on mass shell both before and after the rescattering. The result of our calculation depends on which region of integration over the proper time of the rescattering τ Z gives the correct correlation function at late proper time τ when the gluon distribution is measured. For (i) τ Z >> 1/Qs and τ - τ Z >> 1/Qs (with Qs the saturation scale) we obtain the same results as from the Boltzmann equation. For (ii) τ - τ Z >> τ Z >> 1/Qs we end up with a result very different from kinetic theory and consistent with a picture of “free-streaming” particles. Due to the approximations made, our calculation is too coarse to indicate whether the region (i) or (ii) is the correct one: to resolve this controversy, we shall present a detailed diagrammatic calculation of the rescattering correction in the φ 4 theory in the second paper of this duplex.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Endovascular Treatment in Emergency Setting of Acute Arterial Injuries After Orthopedic Surgery

Purpose: To assess the feasibility and effectiveness of emergency endovascular treatment of acute arterial injuries after orthopedic surgery. Materials and Methods: Fifteen patients (mean age 68.3 years) with acute arterial injuries after orthopedic surgery were observed, in particular, 5 patients with pseudoaneurysm, 9 patients with active bleeding, and 1 patient with arterial dissection. Transarterial embolization (TAE) and positioning of covered and noncovered stents were the treatments performed. Follow-up after stent implantation (mean 36 months) was performed with color Doppler US (CDU) at 1, 3, 6, and 12 months and yearly thereafter. Plain X-ray was performed to evidence dislodgment or fracture of the graft. A minimum of 12 months' follow-up is available after TAE. Results: Immediate technical success was obtained in all cases. No major complications occurred. Overall clinical success rate was 100%. During mean follow-up, stent-graft occlusions did not occurred. No recurrence and/or consequence of TAE was registered during a minimum follow-up of 12 months. Conclusions: Percutaneous treatment is a feasible and safe tool for treating arterial injuries because it can provide fast and definitive resolution of the damage. This low-invasiveness approach can be proposed as first-line treatment in patients with acute injuries after orthopedic surgery.

62 RADIOLOGY AND NUCLEAR MEDICINE↗