Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “partial correlation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The metallicity’s fundamental dependence on both local and global galactic quantities

ABSTRACT We study the scaling relations between gas-phase metallicity, stellar mass surface density (Σ*), star formation rate surface density (ΣSFR), and molecular gas surface density ($\Sigma _{{\rm H}_2}$) in local star-forming galaxies on scales of a kpc. We employ optical integral field spectroscopy from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey, and ALMA data for a subset of MaNGA galaxies. We use partial correlation coefficients and Random Forest regression to determine the relative importance of local and global galactic properties in setting the gas-phase metallicity. We find that the local metallicity depends primarily on Σ* (the resolved mass–metallicity relation, rMZR), and has a secondary anticorrelation with ΣSFR (i.e. a spatially resolved version of the ‘Fundamental Metallicity Relation’, rFMR). We find that $\Sigma _{{\rm H}_2}$ is less important than ΣSFR in determining the local metallicity. This result indicates that gas accretion, resulting in local metallicity dilution and local boosting of star formation, is unlikely to be the primary origin of the rFMR. The local metallicity depends also on the global properties of galaxies. We find a strong dependence on the total stellar mass (M*) and a weaker (inverse) dependence on the total SFR. The global metallicity scaling relations, therefore, do not simply stem out of their resolved counterparts; global properties and processes, such as the global gravitational potential well, galaxy-scale winds and global redistribution/mixing of metals, likely contribute to the local metallicity, in addition to local production and retention.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Stellar mass, not dynamical mass nor gravitational potential, drives the mass–metallicity relationship

The widely known relation between stellar mass and gas metallicity [mass–metallicity relation (MZR)] in galaxies is often ascribed to the higher capability of more massive systems to retain metals against the action of galactic outflows. In this scenario the stellar mass would simply be an indirect proxy of the dynamical mass or of the gravitational potential. We test this scenario by using a sample of more than 1000 star-forming galaxies from the MaNGA (Mapping Nearby Galaxies at Apache Point Observatory) survey for which dynamical masses have been accurately determined. By using three different methods (average dispersion, partial correlation coefficients, and random forest), we unambiguously find that the gas metallicity depends primarily and fundamentally on the stellar mass. Once the dependence on stellar mass is taken into account, there is little or no dependence on either dynamical mass or gravitational potential (and, if anything, the metallicity dependence on the latter quantities is inverted). Our result indicates that the MZR is not caused by the retention of metals in more massive galaxies. The direct, fundamental dependence of metallicity on stellar mass suggests the much simpler scenario in which the MZR is just a consequence of the stellar mass being proportional to the integral of metals production in the galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

SDSS-IV MaNGA: Exploring the Local Scaling Relations for N/O

We present, for the first time, the relationship between local stellar mass surface density, Σ * , and N/O derived from SDSS-IV MaNGA data, using a sample of 792,765 high signal-to-noise ratio star-forming spaxels. Using a combination of phenomenological modeling and partial correlation analysis, we find that Σ * alone is insufficient to predict the N/O in MaNGA spaxels and that there is an additional dependence on the local star formation rate surface density, Σ SFR . This effect is a factor of 3 stronger than the dependence of 12+log(O/H) on Σ SFR . Surprisingly, we find that the local N/O scaling relations also depend on the total galaxy stellar mass at fixed Σ * and the galaxy size at fixed stellar mass. We find that more compact galaxies are more nitrogen rich, even when Σ * and Σ SFR are controlled for. We show that ~50% of the variance of N/O is explained by the total stellar mass and size. Thus, the evolution of nitrogen in galaxies is set by more than just local effects and does not simply track the buildup of oxygen in galaxies. The precise form of the N/O–O/H relation is therefore sensitive to the sample of galaxies from which it is derived. This result casts doubt on the universal applicability of nitrogen-based strong-line metallicity indicators derived in the local universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Entropy of Strongly Correlated Electrons in a Partially Filled Landau Level

We use high-resolution chemical potential measurements to extract the entropy of monolayer and bilayer graphene in the quantum Hall regime via the Maxwell relation [(𝑑⁢𝜇)/(𝑑⁢𝑇)]| 𝑁 =−[(𝑑⁢𝑆)/(𝑑⁢𝑁)]| 𝑇 . Measuring the entropy from 𝑇 = 300 K down to 𝑇 = 200 mK, we identify the sequential emergence of quantum Hall ferromagnetism, fractional quantum Hall states, and various charge orders by comparing the measured entropy in different temperature regimes with theoretical models. At the lowest temperature of 𝑇 ≈ 200 mK we perform a detailed study of the entropy near even-denominator fractional quantum Hall states in bilayer graphene, and comment on the possible topological origin of the observed excess entropy.

Assouline, Alexandre [University of California, Sa↗
DOE OSTI2020

Development of interatomic potential for Al–Tb alloys using a deep neural network learning method

An interatomic potential for the Al–Tb alloy around the composition of Al 90 Tb 10 is developed using the deep neural network (DNN) learning method. The atomic configurations and the corresponding total potential energies and forces on each atom obtained from ab initio molecular dynamics (AIMD) simulations are collected to train a DNN model to construct the interatomic potential for the Al–Tb alloy. Here we show that the obtained DNN model can well reproduce the energies and forces calculated by AIMD simulations. Molecular dynamics (MD) simulations using the DNN interatomic potential also accurately describe the structural properties of the Al 90 Tb 10 liquid, such as partial pair correlation functions (PPCFs) and bond angle distributions, in comparison with the results from AIMD simulations. Furthermore, the developed DNN interatomic potential predicts the formation energies of the crystalline phases of the Al–Tb system with an accuracy comparable to ab initio calculations. The structure factors of the Al 90 Tb 10 metallic liquid and glass obtained by MD simulations using the developed DNN interatomic potential are also in good agreement with the experimental X-ray diffraction data. The development of short-range order (SRO) in the Al 90 Tb 10 liquid and the undercooled liquid is also analyzed and three dominant SROs, i.e., Al-centered distorted icosahedron (DISICO) and Tb-centered ‘3661’ and ‘15551’ clusters, respectively, are identified.

36 MATERIALS SCIENCE↗
DOE OSTI2020

X-ray and neutron scattering measurements of ordering in a Cu 46 Zr 54 liquid

The structural evolution of the equilibrium and supercooled Cu 46 Zr 54 liquids was investigated with a combination of elastic neutron scattering (with isotopic substitution) and synchrotron x-ray scattering studies. The partial pair correlation functions were determined over a wide temperature range (~270 °C). These show that the Cu–Cu and Zr–Zr ordering increases as the temperature decreases, while the Cu–Zr ordering decreases. We note this surprising result is in contradiction with the results from molecular dynamics studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Decagonal Sn clathrate on d-Al-Ni-Co

Decagonal quasiperiodic ordering of Sn thin films on d-Al-Ni-Co is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction, and density functional theory (DFT). Interestingly, the decagonal structural correlations are partially retained even up to a large film thickness of 10 nm grown at 165±10K. The nucleation centers called “Sn white flowers” identified by STM at submonolayer thickness are recognized as valid patches of the decagonal clathrate structure with low adsorption energies of these motifs. Due to the excellent lattice matching (to within 1%) between columns of Sn dodecahedra in the clathrate structure and pentagonal motifs at the d-Al-Ni-Co surface, the interfacial energy favors clathrate over the competing Sn crystalline forms. DFT study of the Sn/Al-Ni-Co composite model shows good mechanical stability, as shown by the work of separation of Sn from Al-Ni-Co slab that is comparable to the clathrate self-separation energy. Finally, the relaxed surface terminations of the R 2 T 4 clathrate approximant are in self-similarity correspondence with the motifs observed in the STM images from monolayer to the thickest Sn film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spectral Properties of Globally Distributed ENA Fluxes across Diverse Regions of the Heliosphere

This study analyzes energetic neutral atom (ENA) spectral properties across distinct regions of globally distributed flux (GDF) sky maps, using Interstellar Boundary Explorer data from a full solar cycle, corrected for time dispersion. By time-shifting the data to the heliosheath using GDF source distances from D. B. Reisenfeld et al., we achieve a more accurate representation of heliosheath GDF energy spectra. We quantify ENA spectral characteristics, heliosheath line-of-sight-integrated proton pressure, and heliosheath proton temperature, comparing these to solar wind properties at 1 au and interplanetary scintillation-derived solar wind data. Our findings show that the spectral index is generally anticorrelated with heliosheath proton temperature and pressure, except in the central tail, where a partial positive correlation is observed. The lowest spectral index values occur when high-latitude heliosheath regions are dominated by fast solar wind from polar coronal holes. The south pole exhibits the flattest energy spectra due to plasma heating from both fast solar wind and a late-2014 pressure pulse. The central tail shows shorter variability (5–6 yr) for spectral index and heliosheath proton temperature, while proton pressure follows the 11 yr solar cycle. Most spectral shapes exhibit a “knee” distribution, peaking during solar maximum, with an “ankle” shape observed only at the south pole during solar cycle transitions. Asymmetry in proton pressure in the lobes is driven by the draping effect of the local interstellar magnetic field. This study provides insights into the energetic properties of GDF across the heliosphere, enhancing our understanding of the heliospheric environment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Ab initio calculations of the carbon and oxygen isotopes: Energies, correlations, and superfluid pairing

We perform ab initio nuclear lattice calculations of the neutron-rich carbon and oxygen isotopes using high-fidelity chiral interactions. We find good agreement with the observed binding energies and compute correlations associated with each two-nucleon interaction channel. For the isospin T = 1 channels, we show that the dependence on T z provides a measure of the correlations among the extra neutrons in the neutron-rich nuclei. For the spin-singlet S-wave channel, we observe that any paired neutron interacts with the nuclear core as well as its neutron pair partner, while any unpaired neutron interacts primarily with only the nuclear core. For the other partial waves, the correlations among the extra neutrons grow more slowly and smoothly with the number of neutrons. These general patterns are observed in both the carbon and oxygen isotopes and may be universal features that appear in many neutron-rich nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Quantifying Leaf Chlorophyll Concentration of Sorghum from Hyperspectral Data Using Derivative Calculus and Machine Learning

Leaf chlorophyll concentration (LCC) is an important indicator of plant health, vigor, physiological status, productivity, and nutrient deficiencies. Hyperspectral spectroscopy at leaf level has been widely used to estimate LCC accurately and non-destructively. This study utilized leaf-level hyperspectral data with derivative calculus and machine learning to estimate LCC of sorghum. We calculated fractional derivative (FD) orders starting from 0.2 to 2.0 with 0.2 order increments. Additionally, 43 common vegetation indices (VIs) were calculated from leaf spectral reflectance factor to make comparisons with reflectance-based data. Within the modeling pipeline, three feature selection methods were assessed: Pearson’s correlation coefficient (PCC), partial least squares based variable importance in the projection (VIP), and random forest-based mean decrease impurity (MDI). Finally, we used partial least squares regression (PLSR), random forest regression (RFR), support vector regression (SVR), and extreme learning regression (ELR) to estimate the LCC of sorghum. Results showed that: (1) increasing derivative order can show improved model performance until certain order for reflectance-based analysis; however, it is inconclusive to state that a particular order is optimal for estimating LCC of sorghum; (2) VI-based modeling outperformed derivative augmented reflectance factor-based modeling; (3) mean decrease impurity was found effective in selecting sensitive features from large feature space (reflectance-based analysis), whereas simple Pearson’s correlation coefficient worked better with smaller feature space (VI-based analysis); and (4) SVR outperformed all other models within reflectance-based analysis; alternatively, ELR with VIs from original reflectance yielded slightly better results compared to all other models.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Structurally Frustrated Remeika Phases: Tolerance Factor and Non-Kramers’ Ion Effects

Quantum materials that are found on the verge of structural, magnetic, and electronic instabilities are deep reservoirs for exotic phenomena. Our criteria to study the reported Ln 5 Ru 6 Sn 18 (Ln = Gd, Tb) are guided by the tolerance factor for Remeika phases─a class of intermetallic compounds with the general formula A 3 M 4 X 13 (where A = rare-earth element, M = transition metal, and X = tetrel), which can be viewed as structural analogues of pseudoperovskites (4 × ABX 3 ), with one of the tetrel atoms occupying the A-site. We have grown single crystals, up to 0.5 cm on the largest facet, of Gd 5 Ru 6 Sn 18 (a = 13.8052(12) Å) and Tb 5 Ru 6 Sn 18 (a = 13.7825(9) Å), which we expect to be on the verge of a formation instability. Bulk magnetic, heat capacity, and electrical transport measurements reveal unusual behavior that originates from the trivalent Gd and Tb ions, with deviations from typical metallic behavior and magnetic ordering that is short-range or disrupted in some other way. Furthermore, to better understand these phenomena, single-crystal neutron diffraction is investigated, which reveals short-range correlations among the partially occupied Tb and Sn sublattices, with 3D-ΔPDF analysis supporting direction-dependent local order. Taken together, these measurements show the utility of using tolerance factors in identifying materials that are likely to exhibit complex phenomena and uncover environments where a formation instability may strongly impact emergent bulk magnetic and electronic phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Degradation science: Integrating modeling and experiments to predict localized corrosion processes (Annual Progress Report)

Additively manufactured (AM) eutectic high-entropy alloys (EHEAs), such as nano-lamellar AlCoCrFeNi 2.1 , have excellent strength, ductility, and wear resistance even at elevated temperatures, but their corrosion behavior in aggressive acids at different length scales remain poorly understood. This work investigates the corrosion behavior of laser powder bed–fused (L-PBF) AlCoCrFeNi 2.1 as a function of annealing temperatures, probing degradation mechanisms from nanoscopic to macroscopic length scales. The alloy is dual phase consisting of a ductile FCC L1 2 phase and a high-strength BCC B2 phase. Rapid solidification during L-PBF produces a far-from-equilibrium nano-lamellar structure with nearly homogeneous elemental distribution, which tends to evolve upon annealing toward Cr/Co/Fe-enriched FCC and Al/Ni-enriched B2. Three conditions were studied: as-printed, 600 °C/5 h, and 1000 °C/1 h, over which B2 lamellae coarsen, lamellar spacing increases, and elemental segregation becomes more prominent. Microstructure and chemistry were characterized by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), while in-situ electrochemical atomic force microscopy (EC-AFM) was used to link early (<5 h) local dissolution to microstructure after exposure in sulfuric acid. EC-AFM highlights preferential dissolution of the BCC/B2 phase where the surrounding matrix is Cr-depleted and directly quantifies the dissolution rates within individual phases, tracks the transition from early nano-scale attack to partial repassivation, to correlate height differences with current and impedance responses. To monitor longer-term behavior (up to 96 h), ex-situ AFM, SEM, and confocal imaging were combined with conventional bulk electrochemical tests, bridging nanoscale observations to micro/meso-scale damage morphologies. At the meso-scale, the deepest dissolution channels align with the build-direction lamellae and melt-pool boundaries, indicating that printing directionality guides the propagation of these localized corrosion sites. Annealing modifies corrosion by restructuring BCC/FCC phase fractions, lamellar spacing, and Cr/Al segregation, thereby changing the cathode/anode ratio and passive film stability. The results clarify how as-printed and annealed nano-lamellar architectures differ in their susceptibility to selective dissolution; how elemental segregation competes with residual stresses along the build direction. With these insights, future work will use CALPHAD-guided alloy modification to stabilize higher Cr contents in the B2 phase while retaining a dominant FCC+B2/BCC microstructure, with the goal of designing mechanically robust, corrosion-resistant EHEAs for safety-critical applications to leverage the LLNL’s broader national and global security mission.

36 MATERIALS SCIENCE↗
DOE OSTI2022

MSW Variability Mapping and Conversion to Biofuel

MSW (Municipal Solid Waste) is a form of biomass which consists of categorized components of waste/trash. The general categories are paper, yard trash, construction & debris, appliances, tires, glass, metals, aluminum & steel cans, plastics, organics, inorganics, and HHW (Household Hazardous Waste). This project focuses on the factors within a region or population that contribute to variability in the composition of MSW and in turn MSW’s convertibility to biofuel. A list of contributors was determined (Social Vulnerability Index, Access to Public Transportation, Racial Distribution, GDP, Personal Income) and then JMP was used to perform a Multivariate analysis to determine correlations and a Partial Least-Squares regression to determine Variable Importance Plots for each MSW category. In addition to data analysis, the convertibility of MSW to biofuel was studied via microwave pyrolysis system in order to separate and characterize the various gaseous and bio-oil products.

09 BIOMASS FUELS↗
DOE OSTI2024

Efficient end-to-end simulation of time-dependent coherent X-ray scattering experiments

Physical optics simulations for beamlines and experiments allow users to test experiment feasibility and optimize beamline settings ahead of beam time in order to optimize valuable beam time at synchrotron light sources like NSLS-II. Further, such simulations also help to develop and test experimental data processing methods and software in advance. The Synchrotron Radiation Workshop ( SRW ) software package supports such complex simulations. We demonstrate how recent developments in SRW significantly improve the efficiency of physical optics simulations, such as end-to-end simulations of time-dependent X-ray photon correlation spectroscopy experiments with partially coherent undulator radiation (UR). The molecular dynamics simulation code LAMMPS was chosen to model the sample: a solution of silica nanoparticles in water at room temperature. Real-space distributions of nanoparticles produced by LAMMPS were imported into SRW and used to simulate scattering patterns of partially coherent hard X-ray UR from such a sample at the detector. The partially coherent UR illuminating the sample can be represented by a set of orthogonal coherent modes obtained by simulation of emission and propagation of this radiation through the coherent hard X-ray (CHX) scattering beamline followed by a coherent-mode decomposition. GPU acceleration is added for several key functions of SRW used in propagation from sample to detector, further improving the speed of the calculations. The accuracy of this simulation is benchmarked by comparison with experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spectroscopy of a tunable moiré system with a correlated and topological flat band

Abstract Moiré superlattices created by the twisted stacking of two-dimensional crystals can host electronic bands with flat energy dispersion in which enhanced interactions promote correlated electron states. The twisted double bilayer graphene (TDBG), where two Bernal bilayer graphene are stacked with a twist angle, is such a moiré system with tunable flat bands. Here, we use gate-tuned scanning tunneling spectroscopy to directly demonstrate the tunability of the band structure of TDBG with an electric field and to show spectroscopic signatures of electronic correlations and topology for its flat band. Our spectroscopic experiments are in agreement with a continuum model of TDBG band structure and reveal signatures of a correlated insulator gap at partial filling of its isolated flat band. The topological properties of this flat band are probed with the application of a magnetic field, which leads to valley polarization and the splitting of Chern bands with a large effective g-factor.

36 MATERIALS SCIENCE↗