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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 1,621 records · Page 90
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Flux Comparison of Master-8 And Ordem 3.1 Modelled Space Debris Population

In this paper, the modelled debris fluxes by ESA’s Meteoroid And Space debris Terrestrial Environment Reference (MASTER-8) model and NASA’s Orbital Debris Engineering Model (ORDEM) 3.1 are compared. At first, the basic modelling approaches for both models are presented to explain the fundamentally different model philosophies and help the reader to comprehend and interpret the obtained results. Then, the flux results of both models for three different orbits are presented and analysed. They are discussed and set into perspective. A conclusion is drawn at the end of the paper, highlighting the ongoing cooperation of both agencies responsible for their models.

Andre Horstmann↗
DOE OSTI2017

Search for direct top squark pair production in events with a Higgs or Z boson, and missing transverse momentum in $ \sqrt{s}=13 $ TeV pp collisions with the ATLAS detector

A search for direct top squark pair production resulting in events with either a same-flavour opposite-sign dilepton pair with invariant mass compatible with a Z boson or a pair of jets compatible with a Standard Model (SM) Higgs boson (h) is presented. Requirements on the missing transverse momentum, together with additional selections on leptons, jets, jets identified as originating from b-quarks are imposed to target the other decay products of the top squark pair. The analysis is performed using proton-proton collision data at √s = 13 TeV collected with the ATLAS detector at the LHC in 2015–2016, corresponding to an integrated luminosity of 36.1 fb –1 . No excess is observed in the data with respect to the SM predictions. The results are interpreted in two sets of models. In the first set, direct production of pairs of lighter top squarks (t ~ 1 ) with long decay chains involving Z or Higgs bosons is considered. The second set includes direct pair production of the heavier top squark pairs (t ~ 2 ) decaying via t ~ 2 → Zt ~ 1 or t ~ 2 → ht ~ 1 . Here, the results exclude at 95% confidence level t ~ 2 and t ~ 1 masses up to about 800 GeV, extending the exclusion region of supersymmetric parameter space covered by previous LHC searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Integrating AlphaFold and deep learning for atomistic interpretation of cryo-EM maps

Abstract Interpretation of cryo-electron microscopy (cryo-EM) maps requires building and fitting 3D atomic models of biological molecules. AlphaFold-predicted models generate initial 3D coordinates; however, model inaccuracy and conformational heterogeneity often necessitate labor-intensive manual model building and fitting into cryo-EM maps. In this work, we designed a protein model-building workflow, which combines a deep-learning cryo-EM map feature enhancement tool, CryoFEM (Cryo-EM Feature Enhancement Model) and AlphaFold. A benchmark test using 36 cryo-EM maps shows that CryoFEM achieves state-of-the-art performance in optimizing the Fourier Shell Correlations between the maps and the ground truth models. Furthermore, in a subset of 17 datasets where the initial AlphaFold predictions are less accurate, the workflow significantly improves their model accuracy. Our work demonstrates that the integration of modern deep learning image enhancement and AlphaFold may lead to automated model building and fitting for the atomistic interpretation of cryo-EM maps.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Inflow, Outflow, Yields, and Stellar Population Mixing in Chemical Evolution Models

Chemical evolution models are powerful tools for interpreting stellar abundance surveys and understanding galaxy evolution. However, their predictions depend heavily on the treatment of inflow, outflow, star formation efficiency (SFE), the stellar initial mass function, the SN Ia delay time distribution, stellar yields, and stellar population mixing. Using flexCE, a flexible one-zone chemical evolution code, we investigate the effects of and trade-offs between parameters. Two critical parameters are SFE and the outflow mass-loading parameter, which shift the knee in [O/Fe]–[Fe/H] and the equilibrium abundances that the simulations asymptotically approach, respectively. One-zone models with simple star formation histories follow narrow tracks in [O/Fe]–[Fe/H] unlike the observed bimodality (separate high- α and low- α sequences) in this plane. A mix of one-zone models with inflow timescale and outflow mass-loading parameter variations, motivated by the inside-out galaxy formation scenario with radial mixing, reproduces the two sequences better than a one-zone model with two infall epochs. We present [X/Fe]–[Fe/H] tracks for 20 elements assuming three different supernova yield models and find some significant discrepancies with solar neighborhood observations, especially for elements with strongly metallicity-dependent yields. We apply principal component abundance analysis to the simulations and existing data to reveal the main correlations among abundances and quantify their contributions to variation in abundance space. For the stellar population mixing scenario, the abundances of α -elements and elements with metallicity-dependent yields dominate the first and second principal components, respectively, and collectively explain 99% of the variance in the model. flexCE is a python package available at https://github.com/bretthandrews/flexCE.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2002

Remote Sensing Information Science Research

This document is the final report summarizing research conducted by the Remote Sensing Research Unit, Department of Geography, University of California, Santa Barbara under National Aeronautics and Space Administration Research Grant NAG5-10457. This document describes work performed during the period of 1 March 2001 thorough 30 September 2002. This report includes a survey of research proposed and performed within RSRU and the UCSB Geography Department during the past 25 years. A broad suite of RSRU research conducted under NAG5-10457 is also described under themes of Applied Research Activities and Information Science Research. This research includes: 1. NASA ESA Research Grant Performance Metrics Reporting. 2. Global Data Set Thematic Accuracy Analysis. 3. ISCGM/Global Map Project Support. 4. Cooperative International Activities. 5. User Model Study of Global Environmental Data Sets. 6. Global Spatial Data Infrastructure. 7. CIESIN Collaboration. 8. On the Value of Coordinating Landsat Operations. 10. The California Marine Protected Areas Database: Compilation and Accuracy Issues. 11. Assessing Landslide Hazard Over a 130-Year Period for La Conchita, California Remote Sensing and Spatial Metrics for Applied Urban Area Analysis, including: (1) IKONOS Data Processing for Urban Analysis. (2) Image Segmentation and Object Oriented Classification. (3) Spectral Properties of Urban Materials. (4) Spatial Scale in Urban Mapping. (5) Variable Scale Spatial and Temporal Urban Growth Signatures. (6) Interpretation and Verification of SLEUTH Modeling Results. (7) Spatial Land Cover Pattern Analysis for Representing Urban Land Use and Socioeconomic Structures. 12. Colorado River Flood Plain Remote Sensing Study Support. 13. African Rainfall Modeling and Assessment. 14. Remote Sensing and GIS Integration.

Clarke, Keith C.↗
DOE OSTI2019

Prediction of cardiac death after adenosine myocardial perfusion SPECT based on machine learning

Background: We developed machine-learning (ML) models to estimate a patient’s risk of cardiac death based on adenosine myocardial perfusion SPECT (MPS) and associated clinical data, and compared their performance to baseline logistic regression (LR). We demonstrated an approach to visually convey the reasoning behind a patient’s risk to provide insight to clinicians beyond that of a “black box.” Methods: We trained multiple models using 122 potential clinical predictors (features) for 8321 patients, including 551 cases of subsequent cardiac death. Accuracy was measured by area under the ROC curve (AUC), computed within a cross-validation framework. We developed a method to display the model’s rationale to facilitate clinical interpretation. Results: The baseline LR (AUC = 0.76; 14 features) was outperformed by all other methods. A least absolute shrinkage and selection operator (LASSO) model (AUC = 0.77; p = .045; 6 features) required the fewest features. A support vector machine (SVM) model (AUC = 0.83; p < .0001; 49 features) provided the highest accuracy. Conclusions: LASSO outperformed LR in both accuracy and simplicity (number of features), with SVM yielding best AUC for prediction of cardiac death in patients undergoing MPS. Combined with presenting the reasoning behind the risk scores, our results suggest that ML can be more effective than LR for this application.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

From disorganized data to emergent dynamic models: Questionnaires to partial differential equations

Starting with sets of disorganized observations of spatially varying and temporally evolving systems, obtained at different (also disorganized) sets of parameters, we demonstrate the data-driven derivation of parameter dependent, evolutionary partial differential equation (PDE) models capable of generating the data. This tensor type of data is reminiscent of shuffled (multidimensional) puzzle tiles. The independent variables for the evolution equations (their “space” and “time”) as well as their effective parameters are all emergent , i.e. determined in a data-driven way from our disorganized observations of behavior in them. We use a diffusion map based questionnaire approach to build a smooth parametrization of our emergent space/time/parameter space for the data. This approach iteratively processes the data by successively observing them on the “space,” the “time” and the “parameter” axes of a tensor. Once the data become organized, we use machine learning (here, neural networks) to approximate the operators governing the evolution equations in this emergent space. Our illustrative examples are based (i) on a simple advection–diffusion model; (ii) on a previously developed vertex-plus-signaling model of Drosophila embryonic development; and (iii) on two complex dynamic network models (one neuronal and one coupled oscillator model) for which no obvious smooth embedding geometry is known a priori. This allows us to discuss features of the process like symmetry breaking, translational invariance, and autonomousness of the emergent PDE model, as well as its interpretability.

generative models↗
DOE OSTI2022

On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure

We show that the Berry force as computed by an approximate, mean-field electronic structure can be meaningful if properly interpreted. In particular, for a model Hamiltonian representing a molecular system with an even number of electrons interacting via a two-body (Hubbard) interaction and a spin–orbit coupling, we show that a meaningful nonzero Berry force emerges whenever there is spin unrestriction—even though the Hamiltonian is real-valued and formally the on-diagonal single-surface Berry force must be zero. Moreover, if properly applied, this mean-field Berry force yields roughly the correct asymptotic motion for scattering through an avoided crossing. That being said, within the context of a ground-state calculation, several nuances do arise as far interpreting the Berry force correctly, and as a practical matter, the Berry force diverges near the Coulson–Fischer point (which can lead to numerical instabilities). Here, we do not address magnetic fields here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

DFT-Based Calculation of Dissolution Activation Energy and Kinetics of Ni–Cr Alloys

A density functional theory investigation of the process of dissolution of Ni and Cr adatoms from model Ni–Cr(111) alloy surfaces is presented, both in vacuum and with explicit water molecules. The goal is to understand how the electronic structures solved using DFT can provide insights as to changes in valence, energy and coordination of the adatoms in the process of dissolving from the alloy surface. It is found that nearby Cr solute atoms increase the dissolution activation energy of Ni. Cr adatoms have a similar dissolution activation energy as Ni adatoms, except for one particular surface configuration that has a much smaller dissolution activation energy, which might promote selective dissolution of Cr in Ni–Cr alloys. To interpret the first-principles modeling results for the potential energy trajectory along the dissolution reaction coordinate, we provide a thermodynamic breakdown of the various terms that contribute to the dissolution activation and total reaction energy. The role of addition of Cr is explored on the dissolution kinetics of a Ni–Cr alloys of varying composition by constructing a model for the corrosion current density with DFT-based activation energies. Lastly, dissolution resistance index is proposed as a quantifiable descriptor of the dissolution resistance of corrosion resistant alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Combined searches for the production of supersymmetric top quark partners in proton–proton collisions at $\sqrt{s} = 13\,\text {Te}\text {V} $

A combination of searches for top squark pair production using proton–proton collision data at a center-of-mass energy of 13$\,\text {Te}\text {V}$ at the CERN LHC, corresponding to an integrated luminosity of 137$\,\text {fb}^{-1}$ collected by the CMS experiment, is presented. Signatures with at least 2 jets and large missing transverse momentum are categorized into events with 0, 1, or 2 leptons. New results for regions of parameter space where the kinematical properties of top squark pair production and top quark pair production are very similar are presented. Depending on the model, the combined result excludes a top squark mass up to 1325$\,\text {Ge}\text {V}$ for a massless neutralino, and a neutralino mass up to 700$\,\text {Ge}\text {V}$ for a top squark mass of 1150$\,\text {Ge}\text {V}$. Top squarks with masses from 145 to 295$\,\text {Ge}\text {V}$, for neutralino masses from 0 to 100$\,\text {Ge}\text {V}$, with a mass difference between the top squark and the neutralino in a window of 30$\,\text {Ge}\text {V}$ around the mass of the top quark, are excluded for the first time with CMS data. The results of theses searches are also interpreted in an alternative signal model of dark matter production via a spin-0 mediator in association with a top quark pair. Upper limits are set on the cross section for mediator particle masses of up to 420$\,\text {Ge}\text {V}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Search for lepton flavour violating decays of heavy resonances and quantum black holes to an eμ pair in proton-proton collisions at √s = 8 TeV

A search for narrow resonances decaying to an electron and a muon is presented. The $\mathrm {e}$ ${\mu }$ mass spectrum is also investigated for non-resonant contributions from the production of quantum black holes (QBHs). The analysis is performed using data corresponding to an integrated luminosity of 19.7 $~\text {fb}^\text {-1}$ collected in proton-proton collisions at a centre-of-mass energy of 8 $~\text {TeV}$ with the CMS detector at the LHC. With no evidence for physics beyond the standard model in the invariant mass spectrum of selected $\mathrm {e}\mu $ pairs, upper limits are set at 95 $\%$ confidence level on the product of cross section and branching fraction for signals arising in theories with charged lepton flavour violation. In the search for narrow resonances, the resonant production of a $\mathrm {\tau }$ sneutrino in R-parity violating supersymmetry is considered. The $\mathrm {\tau }$ sneutrino is excluded for masses below 1.28 $~\text {TeV}$ for couplings $\lambda _{132}=\lambda _{231}=\lambda '_{311}=0.01$ , and below 2.30 $~\text {TeV}$ for $\lambda _{132}=\lambda _{231}=0.07$ and $\lambda '_{311}=0.11$ . These are the most stringent limits to date from direct searches at high-energy colliders. In addition, the resonance searches are interpreted in terms of a model with heavy partners of the ${\mathrm {Z}} $ boson and the photon. In a framework of TeV-scale quantum gravity based on a renormalization of Newton’s constant, the search for non-resonant contributions to the $\mathrm {e}$ ${\mu }$ mass spectrum excludes QBH production below a threshold mass $M_{\mathrm {th}}$ of 1.99 $~\text {TeV}$ . In models that invoke extra dimensions, the bounds range from 2.36 $~\text {TeV}$ for one extra dimension to 3.63 $~\text {TeV}$ for six extra dimensions. Furthermore, this is the first search for QBHs decaying into the $\mathrm {e}$ ${\mu }$ final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Search for dark matter in association with an energetic photon in pp collisions at $ \sqrt{s} $ = 13 TeV with the ATLAS detector

A search for dark matter is conducted in final states containing a photon and missing transverse momentum in proton-proton collisions at s√ = 13 TeV. The data, collected during 2015–2018 by the ATLAS experiment at the CERN LHC, correspond to an integrated luminosity of 139 fb -1 . No deviations from the predictions of the Standard Model are observed and 95% confidence-level upper limits between 2.45 fb and 0.5 fb are set on the visible cross section for contributions from physics beyond the Standard Model, in different ranges of the missing transverse momentum. The results are interpreted as 95% confidence-level limits in models where weakly interacting dark-matter candidates are pair-produced via an s-channel axial-vector or vector mediator. Dark-matter candidates with masses up to 415 (580) GeV are excluded for axial-vector (vector) mediators, while the maximum excluded mass of the mediator is 1460 (1470) GeV. In addition, the results are expressed in terms of 95% confidence-level limits on the parameters of a model with an axion-like particle produced in association with a photon, and are used to constrain the coupling g a Z γ of an axion-like particle to the electroweak gauge bosons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for heavy Majorana neutrinos in e ± e ± and e ± μ ± final states via WW scattering in pp collisions at s = 13 TeV with the ATLAS detector

A search for heavy Majorana neutrinos in scattering of same-sign W boson pairs in proton–proton collisions at $\sqrt{s}$ = 13 TeV at the LHC is reported. The dataset used corresponds to an integrated luminosity of 140 fb -1 , collected with the ATLAS detector during 2015–2018. The search is performed in final states including a same-sign ee or eμ pair and at least two jets with large invariant mass and a large rapidity difference. No significant excess of events with respect to the Standard Model background predictions is observed. The results are interpreted in a benchmark scenario of the Phenomenological Type-I Seesaw model. New constraints are set on the values of the |V eN | 2 and |V eN V$^{*}_{μN}$| parameters for heavy Majorana neutrino masses between 50 GeV and 20 TeV, where V ℓN is the matrix element describing the mixing of the heavy Majorana neutrino mass eigenstate with the Standard Model neutrino of flavour ℓ = e,μ. The sensitivity to the Weinberg operator is investigated and constraints on the effective ee and eμ Majorana neutrino masses are reported. The statistical combination of the ee and eμ channels with the previously published μμ channel is performed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Symmetry Analysis Using Symbolic Computation

The symmetry group of a system of differential equations reveals basic invariant properties of the underlying model and its solutions. In many cases symmetry groups have simple geometric interpretations that can be applied to simplify the model and determine certain classes of solutions explicitly. The general procedure to compute the symmetry group of a given system of differential equations follows a well-known algorithm. However, this procedure involves a large number of laborious and usually error-prone calculations, especially in the case of higher-order systems. The purpose of this report is explain how to use an existing software program designed to automate the major steps of this algorithm in order to calculate the symmetry group of any system of differential equations more efficiently.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Charged Wellbore Casing Controlled Source Electromagnetics (CWC-CSEM) for Reservoir Imaging and Monitoring (Final report)

This project addresses the needs of the U.S. Department of Energy (DOE) to develop advanced monitoring technologies and protocols to track the fate of subsurface carbon dioxide (CO2) plumes for carbon storage. Specifically, the project seeks to develop and test a unique and novel system of technologies consisting of electromagnetic data acquisition, coupled multiphysics imaging, and reservoir model enhancement to understand the migration and long-term distribution of CO2 in the subsurface. The overarching objective is to develop an integrated approach for long term monitoring of carbon storage. The two main components of the project include the methodology development and the test of the method at a field site. The methodology component consists of 1) developing the field procedure and protocol for collecting time-lapse controlled-source electromagnetic (CSEM) data with source electric current injected into the subsurface through wellbore casings; 2) building of background 3D electrical conductivity utilizing multiple sources of data such as supplemental surface transient EM (TEM) surveys, well-logs, and seismic structural information, for enhancing CSEM signal from reservoir depths; and 3) coupled multiphysics simulations and inversion of CSEM data constrained by production data and by structural information from seismic imaging of the reservoir and overlying formations. The testing component used the field site of Bell Creek Oil Field, which served both as a field laboratory for the method development as well as a test site to evaluate the CSEM signal strengths and the methodology developed in this research project. We have accomplished all the proposed tasks and developed the methodology as planned. These include the procedure for time-lapse CSEM data acquisition, data processing techniques, integration with 3D conductivity model building, fast reservoir simulation for history matching using machine learning, and interpreting CSEM data with coupling to the reservoir modeling. Collectively, the outcome of these tasks form a coherent workflow that can be applied to monitor dedicated carbon storage in saline reservoirs. The testing component evaluated the applicability and limitations of the method, and concluded that the method would be ideal for monitoring dedicated carbon storage sites utilizing saline reservoirs.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Electron Spin Resonance (ESR) detection of active oxygen species and organic phases in Martian soils

The presence of active oxygen species (O(-), O2(-), O3(-)) and other strong oxidants (Fe2O3 and Fe3O4) was invoked in interpretations of the Viking biological experiments and a model was also suggested for Martian surface chemistry. The non-biological interpretations of the biological results gain futher support as no organic compounds were detected in the Viking pyrolysis-gas chromatography mass spectrometer (GCSM) experiments at concentrations as low as 10 ppb. Electron spin resonance (ESR) measures the absorption of microwaves by a paramagnetic and/or ferromagnetic center in the presence of an external field. In many instances, ESR has the advantage of detailed submicroscopic identification of the transient species and/or unstable reaction intermediates in their environments. Since the higly active oxygen species (O(-), O2(-), O3(-), and R-O-O(-)) are all paramagnetic in nature, they can be readily detected in native form by the ESR method. Active oxygen species likely to occur in the Martian surface samples were detected by ESR in UV-irradiated samples containing MgO. A miniaturized ESR spectrometer system can be developed for the Mars Rover Sample Return Mission. The instrument can perform the following in situ Martian samples analyses: detection of active oxygen species; characterization of Martian surface chemistry and photooxidation processes; and searching for organic compounds in the form of free radicals preserved in subsoils, and detection of microfossils with Martian carbonate sediments.

Tsay, Fun-Dow↗