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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Semilocal exchange hole with an application to range-separated density functionals

The exchange-correlation hole is a central concept in density functional theory. It not only provides justification for an exchange-correlation energy functional but also serves as a local ingredient for nonlocal range-separated density functionals. However, due to the nonlocal nature, modeling the conventional exact exchange hole presents a great challenge to density functional theory. In this work, we propose a semilocal exchange hole underlying the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation functional. Our model is distinct from previous ones not only at small separation between an electron and the hole around the electron but also in the way it interpolates between rapidly varying and slowly varying densities. Here the interpolation is determined by the wave-vector analysis on the infinite-barrier model for a jellium surface. Numerical tests show that our exchange-hole model mimics the conventional exact one quite well for atoms. As a simple application, we apply the hole model to construct a TPSS-based range-separated functional. We find that this range-separated functional can substantially improve the band gaps and barrier heights of TPSS, without losing much accuracy for atomization energies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spray: Sparse Reductions of Arrays in OPEN MP

We present SPRAY, an open-source header-only C++ library for sparse reductions of arrays. SPRAY is meant for applications in which a large array is collaboratively updated by multiple threads using an associative and commutative operation such as +=. Especially when each thread accesses only parts of the array, SPRAY can perform significantly better than OPENMP's built-in reduction clause or atomic updates, while also using less memory than the former. SPRAY provides both an easy-to-use interface that can serve as a drop-in replacement for OPENMP reductions and a selection of reducer objects that accumulate the final result in different thread-safe ways. We demonstrate SPRAY through multiple test cases including the LULESH shock hydrodynamics code and a transpose-matrix-vector multiplication for sparse matrices stored in CSR format. SPRAY reductions outperform built-in OPENMP reductions consistently, in some cases improving run time and memory overhead by 20X, and even beating domain-specific approaches such as Intel MKI, by over 2X in some cases. Furthermore, SPRAY reductions have a minimal impact on the code base, requiring only a few lines of source code changes. Once in place, SPRAY reduction schemes can be switched easily, allowing performance portability and tuning opportunities by separating performance-critical implementation details from application code.

OpenMP↗
DOE OSTI2025

Form factors for semi-leptonic $B_{(s)} \to D_{(s)}^∗\ell \nu_\ell$ decays

Semileptonic $B_{(s)}$ decays are of great phenomenological interestbecause they allow to extract CKM matrix elements or test lepton flavouruniversality. Taking advantage of existing data, we explore extractingform factors for vector final states using the narrow widthapproximation. Based on RBC/UKQCD's set of 2+1 flavour gauge fieldensembles with Shamir domain-wall fermion and Iwasaki gauge fieldaction, we study semileptonic $B_{(s)}$ decays using domain-wallfermions for light, strange and charm quarks, whereas bottom quarks aresimulated with the relativistic heavy quark (RHQ) action. Exploratoryresults for $B_s \to D_s^* \ell \nu_\ell$ are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Searching for Novel Chemistry in Exoplanetary Atmospheres Using Machine Learning for Anomaly Detection

Abstract The next generation of telescopes will yield a substantial increase in the availability of high-quality spectroscopic data for thousands of exoplanets. The sheer volume of data and number of planets to be analyzed greatly motivate the development of new, fast, and efficient methods for flagging interesting planets for reobservation and detailed analysis. We advocate the application of machine learning (ML) techniques for anomaly (novelty) detection to exoplanet transit spectra, with the goal of identifying planets with unusual chemical composition and even searching for unknown biosignatures. We successfully demonstrate the feasibility of two popular anomaly detection methods (local outlier factor and one-class support vector machine) on a large public database of synthetic spectra. We consider several test cases, each with different levels of instrumental noise. In each case, we use receiver operating characteristic curves to quantify and compare the performance of the two ML techniques.

Astronomy & Astrophysics↗
DOE OSTI2024

Detection and imaging of electric fields, using polarized neutrons

A method and corresponding apparatus are provided for measuring neutron spin precession in an electric field with high sensitivity suitable for practical applications in non-destructive testing, imaging, and the like. Production of a neutron beam with a polarization vector P is followed by transmitting the spin-polarized neutron beam through a sample region in which there is a target generating an electric field, polarization-analyzing the transmitted neutron beam with an analyzing direction orthogonal to P, detecting an intensity of the polarization-analyzed neutron beam; and mapping the detected neutron-beam intensity to a field-strength value for the target electric field.

Jau, Yuan-Yu↗
DOE OSTI2024

A Data-Driven Approach for High-Impedance Fault Localization in Distribution Systems

Accurate and quick identification of high-impedance faults (HIFs) is critical for the reliable operation of distribution systems. Unlike other faults in power grids, HIFs are very difficult to detect by conventional overcurrent relays due to the low fault current. Although HIFs can be affected by various factors, the voltage-current characteristics can substantially imply how the system responds to the disturbance and thus provides opportunities to effectively localize HIFs. In this work, we propose a data-driven approach for the identification of HIF events. To tackle the nonlinearity of the voltage-current trajectory, first, we formulate optimization problems to approximate the trajectory with piecewise functions. Then we collect the function features of all segments as inputs and use the support vector machine approach to efficiently identify HIFs at different locations. Numerical studies on the IEEE 123-node test feeder demonstrate the validity and accuracy of the proposed approach for real-time HIF identification.

explainable artificial intelligence↗
DOE OSTI2024

A Data-Driven Approach for High-Impedance Fault Localization in Distribution Systems: Preprint

Accurate and quick identification of high-impedance faults (HIFs) is critical for the reliable operation of distribution systems. Unlike other faults in power grids, HIFs are very difficult to detect by conventional overcurrent relays due to the low fault current. Although HIFs can be affected by various factors, the voltage-current characteristics can substantially imply how the system responds to the disturbance and thus provides opportunities to effectively localize HIFs. In this work, we propose a data-driven approach for the identification of HIF events. To tackle the nonlinearity of the voltage-current trajectory, first, we formulate optimization problems to approximate the trajectory with piecewise functions. Then we collect the function features of all segments as inputs and use the support vector machine approach to efficiently identify HIFs at different locations. Numerical studies on the IEEE 123-node test feeder demonstrate the validity and accuracy of the proposed approach for real-time HIF identification.

explainable artificial intelligence↗
DOE OSTI2023

Assessing the vulnerability of solar inverters to EMPs: Port testing, PCI modeling, and protection strategies

Renewable energy sources are becoming an ever-larger contributor to the power grid. These renewable energy sources depend upon the power electronic devices, specifically inverters, being essential for connecting Photovoltaic (PV) generation to the grid. However, the Electromagnetic Pulses (EMPs) caused by the high-altitude nuclear explosions can generate fast broad-band pulses with nanosecond rise time, potentially causing damage or destruction to electronic components. To assess the vulnerability of PV inverters to high-altitude EMPs, the port testing and Pulsed Current Injection (PCI) modeling schemes are proposed based on the port impedance analysis. Wide-band frequency measurements are achieved by fusing impedance results from three vector network analyzers. Then, a PCI model is used to simulate the induced response to EMP, with two typical immunity levels of EC5 and EC8 tested. Here, the experiment successfully excites the induced voltage and current under EMP, where the voltage and current can reach 1500V/40A and 8000V/150Aunder EC5 andEC8, respectively. The port vulnerability analysis results demonstrate that only some ports can survive under EC5. To defend against the impact of EMP, three protection strategies are discussed.

42 ENGINEERING↗
DOE OSTI2024

Sprain energy consequences for damage localization and fracture mechanics

The 2023 smooth Lagrangian Crack-Band Model (slCBM), inspired by the 2020 invention of the gap test, prevented spurious damage localization during fracture growth by introducing the second gradient of the displacement field vector, named the “sprain,” as the localization limiter. The key idea was that, in the finite element implementation, the displacement vector and its gradient should be treated as independent fields with the lowest ( C 0 ) continuity, constrained by a second-order Lagrange multiplier tensor. Coupled with a realistic constitutive law for triaxial softening damage, such as microplane model M7, the known limitations of the classical Crack Band Model were eliminated. Here, we show that the slCBM closely reproduces the size effect revealed by the gap test at various crack-parallel stresses. To describe it, we present an approximate corrective formula, although a strong loading-path dependence limits its applicability. Except for the rare case of zero crack-parallel stresses, the fracture predictions of the line crack models (linear elastic fracture mechanics, phase-field, extended finite element method (XFEM), cohesive crack models) can be as much as 100% in error. We argue that the localization limiter concept must be extended by including the resistance to material rotation gradients. We also show that, without this resistance, the existing strain-gradient damage theories may predict a wrong fracture pattern and have, for Mode II and III fractures, a load capacity error as much as 55%. Finally, we argue that the crack-parallel stress effect must occur in all materials, ranging from concrete to atomistically sharp cracks in crystals.

Science & Technology - Other Topics↗
DOE OSTI2019

An improved multislope MUSCL scheme for solving shallow water equations on unstructured grids

In this paper we describe an improved vector manipulation multislope monotone upstream-centred scheme for conservation laws (MUSCL) reconstruction for solving the shallow water equations on unstructured grids. This improved MUSCL reconstruction method includes a bigger stencil for the interpolation and saves time for determining the geometric relations compared to the original vector manipulation method, so it is computationally more efficient and straightforward to implement. Four examples involving an analytical solution, laboratory experiments and field-scale measurements are used to test the performance of the proposed scheme. It has been proven that the proposed scheme can provide comparable accuracy and higher efficiency compared to the original vector manipulation method. With the increasing of the number of cells, the advantage of the proposed scheme becomes more apparent.

42 ENGINEERING↗
DOE OSTI2024

No evidence of Bartonella infections in host-seeking Ixodes scapularis and Ixodes pacificus ticks in the United States

Background. Bartonella spp. infect a variety of vertebrates throughout the world, with generally high prevalence. Several Bartonella spp. are known to cause diverse clinical manifestations in humans and have been recognized as emerging pathogens. These bacteria are mainly transmitted by blood-sucking arthropods, such as fleas and lice. The role of ticks in the transmission of Bartonella spp. is unclear. Methods. A recently developed quadruplex polymerase chain reaction (PCR) amplicon next-generation sequencing approach that targets Bartonella-specific fragments on gltA, ssrA, rpoB, and groEL was applied to test host-seeking Ixodes scapularis ticks (n=1641; consisting of 886 nymphs and 755 adults) collected in 23 states of the eastern half of the United States and Ixodes pacificus ticks (n=966; all nymphs) collected in California in the western United States for the presence of Bartonella DNA. These species were selected because they are common human biters and serve as vectors of pathogens causing the greatest number of vector-borne diseases in the United States. Results. No Bartonella DNA was detected in any of the ticks tested by any target. Conclusions. Owing to the lack of Bartonella detection in a large number of host-seeking Ixodes spp. ticks tested across a broad geographical region, our results strongly suggest that I. scapularis and I. pacificus are unlikely to contribute more than minimally, if at all, to the transmission of Bartonella spp.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Development of advanced machine learning models for analysis of plutonium surrogate optical emission spectra

This work investigates and applies machine learning paradigms seldom seen in analytical spectroscopy for quantification of gallium in cerium matrices via processing of laser-plasma spectra. Ensemble regressions, support vector machine regressions, Gaussian kernel regressions, and artificial neural network techniques are trained and tested on cerium-gallium pellet spectra. A thorough hyperparameter optimization experiment is conducted initially to determine the best design features for each model. The optimized models are evaluated for sensitivity and precision using the limit of detection (LoD) and root mean-squared error of prediction (RMSEP) metrics, respectively. Gaussian kernel regression yields the superlative predictive model with an RMSEP of 0.33% and an LoD of 0.015% for quantification of Ga in a Ce matrix. This study concludes that these machine learning methods could yield robust prediction models for rapid quality control analysis of plutonium alloys.

Rao, Ashwin P. (ORCID:0000000319312568)↗
DOE OSTI2014

Measurements of $\sigma(V+D^{*})/\sigma(V)$ in $9.7$ fb$^{-1}$ at CDF Run II

The Standard Model of particle physics has been remarkably successful, but the non-perturbative features of quantum chromodynamics must be tested and modeled with data. There have been many such tests, focused primarily on the use of jet-based probes of heavy flavor (bottom and charm quark) production at hadron colliders. In this thesis, we propose and test a strategy for identifying heavy flavor in events containing a W or Z vector boson (a V boson); this technique probes a much lower energy regime than can be explored by jet-based methods. In a sample of W and Z events skimmed from 9.7 fb -1 of high- pT electron and muon data from CDF Run II p p collisions at center of mass energy √s = 1:96 GeV , we identify charm by fully reconstructing D* (2010) → D 0 (→ Kπ )π s decays at the track level. Using a binned fit of Δm=m(Kππ s ) m(Kπ ) to count reconstructed D* candidates, we then unfold these raw counts with acceptance values derived from Monte Carlo, and present measurements of σ(W + D* )/ σ(W) and σ(Z + D* )/ σ(Z) in the W/Z leptonic decay channels. All measurements are found to be in agreement with the predictions of Pythia 6.2 (PDF set CTEQ5L). These results include the first measurement of W/Z + c production in events with zero jet objects at the Tevatron, and the first measurement of W/Z +c production with p T (c) < 15 GeV at the Tevatron.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Desmoglein 3 – Influence on oral carcinoma cell migration and invasion

Desmoglein 3 (Dsg3) is an adhesion receptor in desmosomes, but its role in carcinoma cell migration and invasion is mostly unknown. Our aim was to quantitatively analyse the motion of Dsg3-modified carcinoma cells in 2D settings and in 3D within tumour microenvironment mimicking (TMEM) matrices. We tested mutant constructs of C-terminally truncated Dsg3 (∆238 and ∆560), overexpressed full-length (FL) Dsg3, and empty vector control (Ct) of buccal mucosa squamous cell carcinoma (SqCC/Y1) cells. We captured live cell images and analysed migration velocities and accumulated and Euclidean distances. We compared rodent collagen and Matrigel{sup ®} with human Myogel TMEM matrices for these parameters in 3D sandwich, in which we also tested the effects of monoclonal antibody AK23, which targets the EC1 domain of Dsg3. In monolayer culture, FL and both truncated constructs migrated faster and had higher accumulated distances than Ct cells. However, in the 3D assays, only the mutants invaded faster relative to Ct cells. Of the mutants, the shorter form (Δ238) exhibited faster migration and invasion than Δ560 cells. In the Transwell, all of the cells invaded faster through Myogel than Matrigel{sup ®} coated wells. In 3D sandwich, AK23 antibody inhibited only the invasion of FL cells. We conclude that different experimental 2D and 3D settings can markedly influence the movement of oral carcinoma cells with various Dsg3 modifications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-CD-207A-05: Lung Surface Deformation Vector Fields Prediction by Monitoring Respiratory Surrogate Signals

Purpose: In this study, we developed and evaluated a method for predicting lung surface deformation vector fields (SDVFs) based on surrogate signals such as chest and abdomen motion at selected locations and spirometry measurements. Methods: A Patient-specific 3D triangular surface mesh of the lung region at end-expiration (EE) phase was obtained by threshold-based segmentation method. For each patient, a spirometer recorded the flow volume changes of the lungs; and 192 selected points at a regular spacing of 2cm X 2cm matrix points over a total area of 34cm X 24cm on the surface of chest and abdomen was used to detect chest wall motions. Preprocessing techniques such as QR factorization with column pivoting (QRCP) were employed to remove redundant observations of the chest and abdominal area. To create a statistical model between the lung surface and the corresponding surrogate signals, we developed a predictive model based on canonical ridge regression (CRR). Two unique weighting vectors were selected for each vertex on the surface of the lung, and they were optimized during the training process using the all other phases of 4D-CT except the end-inspiration (EI) phase. These parameters were employed to predict the vertices locations of a testing data set, which was the EI phase of 4D-CT. Results: For ten lung cancer patients, the deformation vector field of each vertex of lung surface mesh was estimated from the external motion at selected positions on the chest wall surface plus spirometry measurements. The average estimation of 98th percentile of error was less than 1 mm (AP= 0.85, RL= 0.61, and SI= 0.82). Conclusion: The developed predictive model provides a non-invasive approach to derive lung boundary condition. Together with personalized biomechanical respiration modelling, the proposed model can be used to derive the lung tumor motion during radiation therapy accurately from non-invasive measurements.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Planck 2018 results

We analyse the Planck full-mission cosmic microwave background (CMB) temperature and E -mode polarization maps to obtain constraints on primordial non-Gaussianity (NG). We compare estimates obtained from separable template-fitting, binned, and optimal modal bispectrum estimators, finding consistent values for the local, equilateral, and orthogonal bispectrum amplitudes. Our combined temperature and polarization analysis produces the following final results: f NL local = -0.9 ± 5.1; f NL equil = -26 ± 47; and f NL ortho = -38 ± 24 (68% CL, statistical). These results include low-multipole (4 ≤ ℓ < 40) polarization data that are not included in our previous analysis. The results also pass an extensive battery of tests (with additional tests regarding foreground residuals compared to 2015), and they are stable with respect to our 2015 measurements (with small fluctuations, at the level of a fraction of a standard deviation, which is consistent with changes in data processing). Polarization-only bispectra display a significant improvement in robustness; they can now be used independently to set primordial NG constraints with a sensitivity comparable to WMAP temperature-based results and they give excellent agreement. In addition to the analysis of the standard local, equilateral, and orthogonal bispectrum shapes, we consider a large number of additional cases, such as scale-dependent feature and resonance bispectra, isocurvature primordial NG, and parity-breaking models, where we also place tight constraints but do not detect any signal. The non-primordial lensing bispectrum is, however, detected with an improved significance compared to 2015, excluding the null hypothesis at 3.5 σ . Beyond estimates of individual shape amplitudes, we also present model-independent reconstructions and analyses of the Planck CMB bispectrum. Our final constraint on the local primordial trispectrum shape is g NL local = (-5.8 ± 6.5) × 10 4 (68% CL, statistical), while constraints for other trispectrum shapes are also determined. Exploiting the tight limits on various bispectrum and trispectrum shapes, we constrain the parameter space of different early-Universe scenarios that generate primordial NG, including general single-field models of inflation, multi-field models (e.g. curvaton models), models of inflation with axion fields producing parity-violation bispectra in the tensor sector, and inflationary models involving vector-like fields with directionally-dependent bispectra. Our results provide a high-precision test for structure-formation scenarios, showing complete agreement with the basic picture of the ΛCDM cosmology regarding the statistics of the initial conditions, with cosmic structures arising from adiabatic, passive, Gaussian, and primordial seed perturbations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Vector-model-supported approach in prostate plan optimization

Lengthy time consumed in traditional manual plan optimization can limit the use of step-and-shoot intensity-modulated radiotherapy/volumetric-modulated radiotherapy (S&S IMRT/VMAT). A vector model base, retrieving similar radiotherapy cases, was developed with respect to the structural and physiologic features extracted from the Digital Imaging and Communications in Medicine (DICOM) files. Planning parameters were retrieved from the selected similar reference case and applied to the test case to bypass the gradual adjustment of planning parameters. Therefore, the planning time spent on the traditional trial-and-error manual optimization approach in the beginning of optimization could be reduced. Each S&S IMRT/VMAT prostate reference database comprised 100 previously treated cases. Prostate cases were replanned with both traditional optimization and vector-model-supported optimization based on the oncologists' clinical dose prescriptions. A total of 360 plans, which consisted of 30 cases of S&S IMRT, 30 cases of 1-arc VMAT, and 30 cases of 2-arc VMAT plans including first optimization and final optimization with/without vector-model-supported optimization, were compared using the 2-sided t-test and paired Wilcoxon signed rank test, with a significance level of 0.05 and a false discovery rate of less than 0.05. For S&S IMRT, 1-arc VMAT, and 2-arc VMAT prostate plans, there was a significant reduction in the planning time and iteration with vector-model-supported optimization by almost 50%. When the first optimization plans were compared, 2-arc VMAT prostate plans had better plan quality than 1-arc VMAT plans. The volume receiving 35 Gy in the femoral head for 2-arc VMAT plans was reduced with the vector-model-supported optimization compared with the traditional manual optimization approach. Otherwise, the quality of plans from both approaches was comparable. Vector-model-supported optimization was shown to offer much shortened planning time and iteration number without compromising the plan quality.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

The Dark Energy Camera All Data Everywhere cosmic shear project V: Constraints on cosmology and astrophysics from 270 million galaxies across 13,000 deg$^2$ of the sky

We present constraints on models of cosmology and astrophysics using cosmic shear data vectors from three datasets: the northern and southern Galactic cap of the Dark Energy Camera All Data Everywhere (DECADE) project, and the Dark Energy Survey (DES) Year 3. These data vectors combined consist of 270 million galaxies spread across 13,000 ${\rm deg}^2$ of the sky. We first extract constraints for $Λ$CDM cosmology and find $S_8= 0.805^{+0.019}_{-0.019}$ and $Ω_{\rm m} = 0.262^{+0.023}_{-0.036}$, which is consistent within $1.9 σ$ of constraints from the Planck satellite. Extending our analysis to dynamical dark energy models shows that lensing provides some (but still minor) improvements to existing constraints from supernovae and baryon acoustic oscillations. Finally, we study six different models for the impact of baryons on the matter power spectrum. We show the different models provide consistent constraints on baryon suppression, and associated cosmology, once the astrophysical priors are sufficiently wide. Current scale-cut approaches for mitigating baryon contamination result in a residual bias of $\approx 0.3σ$ in the $S_8, Ω_{\rm m}$ posterior. Using all scales with dedicated baryon modeling leads to negligible improvement as the new information is used solely to self-calibrate the baryon model on small scales. Additional non-lensing datasets, and/or calibrations of the baryon model, will be required to access the full statistical power of the lensing measurements. The combined dataset in this work represents the largest lensing dataset to date (most galaxies, largest area) and provides an apt testing ground for analyses of upcoming datasets from Stage IV surveys. The DECADE shear catalogs, data vectors, and likelihoods are made publicly available.

Anbajagane, D. [Chicago U., Astron. Astrophys. Ctr↗