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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multi-GPU immersed boundary method hemodynamics simulations

Large-scale simulations of blood flow that resolve the 3D deformation of each comprising cell are increasingly popular owing to algorithmic developments in conjunction with advances in compute capability. Among different approaches for modeling cell-resolved hemodynamics, fluid structure interaction (FSI) algorithms based on the immersed boundary method are frequently employed for coupling separate solvers for the background fluid and the cells within one framework. GPUs can accelerate these simulations; however, both current pre-exascale and future exascale CPU-GPU heterogeneous systems face communication challenges critical to performance and scalability. In this paper, we describe, to our knowledge, the largest distributed GPU-accelerated FSI simulations of high hematocrit cell-resolved flows with over 17 million red blood cells. We compare scaling on a fat node system with six GPUs per node and on a system with a single GPU per node. Through comparison between the CPU- and GPU-based implementations, we identify the costs of data movement in multiscale multi-grid FSI simulations on heterogeneous systems and show it to be the greatest performance bottleneck on the GPU.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Fragmentation of massive dense cores down to ≲ 1000 AU: Relation between fragmentation and density structure

In order to shed light on the main physical processes controlling fragmentation of massive dense cores, we present a uniform study of the density structure of 19 massive dense cores, selected to be at similar evolutionary stages, for which their relative fragmentation level was assessed in a previous work. We inferred the density structure of the 19 cores through a simultaneous fit of the radial intensity profiles at 450 and 850 μm (or 1.2 mm in two cases) and the spectral energy distribution, assuming spherical symmetry and that the density and temperature of the cores decrease with radius following power-laws. Even though the estimated fragmentation level is strictly speaking a lower limit, its relative value is significant and several trends could be explored with our data. We find a weak (inverse) trend of fragmentation level and density power-law index, with steeper density profiles tending to show lower fragmentation, and vice versa. In addition, we find a trend of fragmentation increasing with density within a given radius, which arises from a combination of flat density profile and high central density and is consistent with Jeans fragmentation. We considered the effects of rotational-to-gravitational energy ratio, non-thermal velocity dispersion, and turbulence mode on the density structure of the cores, and found that compressive turbulence seems to yield higher central densities. Finally, a possible explanation for the origin of cores with concentrated density profiles, which are the cores showing no fragmentation, could be related with a strong magnetic field, consistent with the outcome of radiation magnetohydrodynamic simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The Role of the U.S. Electric Distribution System in Serving Data Center and Other Large Loads

The rapid expansion of data centers in the United States is reshaping how the electric distribution system must plan for and accommodate large load interconnections. This report evaluates the role of the distribution grid in serving these loads, from small edge facilities to hyperscale campuses. Using national datasets, utility filings, and industry studies, we assess demand growth, reliability requirements, interconnection thresholds, and infrastructure needs at substations and feeders. The analysis highlights the mismatch between fast data center development timelines and slower utility planning and construction cycles, as well as strategies such as phased energization, on-site generation, hosting capacity maps, and structured interconnection frameworks. While focused on data centers, the insights also apply to other high-density loads such as advanced manufacturing, hydrogen production, and electrified transportation. The report concludes with approaches to align planning processes, transparency tools, and regulatory frameworks so utilities can manage new large loads in ways that support a reliable and resilient grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

The Complete Calibration of the Color–Redshift Relation (C3R2) Survey: Survey Overview and Data Release 1

A key goal of the Stage IV dark energy experiments Euclid , LSST, and WFIRST is to measure the growth of structure with cosmic time from weak lensing analysis over large regions of the sky. Weak lensing cosmology will be challenging: in addition to highly accurate galaxy shape measurements, statistically robust and accurate photometric redshift (photo- z ) estimates for billions of faint galaxies will be needed in order to reconstruct the three-dimensional matter distribution. Here we present an overview of and initial results from the Complete Calibration of the Color–Redshift Relation (C3R2) survey, which is designed specifically to calibrate the empirical galaxy color–redshift relation to the Euclid depth. These redshifts will also be important for the calibrations of LSST and WFIRST . The C3R2 survey is obtaining multiplexed observations with Keck (DEIMOS, LRIS, and MOSFIRE), the Gran Telescopio Canarias (GTC; OSIRIS), and the Very Large Telescope (VLT; FORS2 and KMOS) of a targeted sample of galaxies that are most important for the redshift calibration. We focus spectroscopic efforts on undersampled regions of galaxy color space identified in previous work in order to minimize the number of spectroscopic redshifts needed to map the color–redshift relation to the required accuracy. We present the C3R2 survey strategy and initial results, including the 1283 high-confidence redshifts obtained in the 2016A semester and released as Data Release 1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Path-space variational inference for non-equilibrium coarse-grained systems

In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?

Ni oxides and oxyhydroxides (NiO x ) have been studied for a long time as cathode materials for alkaline batteries and electrocatalysts for the oxygen evolution reaction (OER). Yet, understanding of the connection between their atomic and electronic structures and electrochemical performance or stability is still incomplete. In this work, we use first-principles density functional theory (DFT) calculations to revisit the structure, electronic properties, and OER activity of β-NiOOH, the catalytically active phase of NiO x . Following extensive DFTbased screening, we identify a hitherto overlooked structure characterized by a uniform distribution of H atoms on the NiO 2 layers. All the Ni 3+ cations in this structure exhibit an identical t g 6 e g 1 electronic configuration with an occupied 3d z2 orbital. Comparison of the calculated bond lengths with extended X-ray absorption fine structure (EXAFS) data unequivocally supports this structure relative to all other low-energy configurations. Based on this structure, we uncover and detail defect-dominated OER mechanisms on the basal β-NiOOH (001) surface, with overpotentials as low as 0.39 V. The present results should provide a valuable contribution to ongoing efforts for understanding and developing enhanced transition-metal hydroxide catalysts for the OER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A small core in Vesta inferred from Dawn’s observations

Vesta’s large-scale interior structure had previously been constrained primarily using the gravity and shape data from the Dawn mission. However, these data alone still allow a wide range of possibilities for the differentiation state of the body. The moment of inertia is arguably the most diagnostic parameter related to the radial density distribution of a planetary body, making it crucial for assessing the body’s state of internal differentiation. Determining the moment of inertia requires additional measurements of the amplitudes of small rotational motions, such as precession and nutation. Here we report an updated estimate of the moment of inertia of Vesta inferred from Dawn’s Doppler tracking via the Deep Space Network and onboard imaging data. The recovered value for Vesta’s normalized polar moment of inertia is $\overline{C}$/MR 2 = 0.4208 ± 0.0047 (where M is the mass of Vesta and R is the reference radius), which is only 6.6% lower than the homogeneous value of 0.4505. This value, combined with the gravity field and global shape, suggests that Vesta’s interior has limited density stratification beneath its howardite–eucrite–diogenite-dominated crust. We propose two possible origin scenarios that are consistent with the observed constraints. In the first scenario, Vesta’s interior did not undergo full differentiation due to late accretion. In the second scenario, Vesta originated as an impact remnant of a larger differentiated body re-accreted with non-chondritic bulk composition produced from a catastrophic impact. Vesta did not experience complete differentiation in either scenario, suggesting that its current state reflects a complex interplay between its accretion timing, thermal evolution, redistribution of 26 Al bearing melt and/or impact processes.

CNEOS 2014-01-08 bolide↗
DOE OSTI2025

Structural constraint integration in a generative model for the discovery of quantum materials

Billions of organic molecules have been computationally generated, yet functional inorganic materials remain scarce due to limited data and structural complexity. Here, in this work, we introduce Structural Constraint Integration in a GENerative model (SCIGEN), a framework that enforces geometric constraints, such as honeycomb and kagome lattices, within diffusion-based generative models to discover stable quantum materials candidates. SCIGEN enables conditional sampling from the original distribution, preserving output validity while guiding structural motifs. This approach generates ten million inorganic compounds with Archimedean and Lieb lattices, over 10% of which pass multistage stability screening. High-throughput density functional theory calculations on 26,000 candidates shows over 95% convergence and 53% structural stability. A graph neural network classifier detects magnetic ordering in 41% of relaxed structures. Furthermore, we synthesize and characterize two predicted materials, TiPd 0.22 Bi 0.88 and Ti 0.5 Pd 1.5 Sb, which display paramagnetic and diamagnetic behaviour, respectively. Our results indicate that SCIGEN provides a scalable path for generating quantum materials guided by lattice geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of rare earth size on network structure and glass forming ability in binary aluminum garnets

Rare earth aluminate glasses are potentially useful for optical, luminescence, and laser applications. As reluctant glass formers, these materials exhibit unconventional atomic structures. To better understand how their structures correlate with glass formation, we investigate two rare earth aluminum garnet melts, La 3 Al 5 O 12 (LAG) and Yb 3 Al 5 O 12 (YbAG), which represent the relative extremes of good and poor glass forming ability in rare earth aluminates. Structural models have been refined to high-energy X-ray diffraction data over 1340–2740 K. Both melts contain mixtures of AlO 4 , AlO 5 , and AlO 6 polyhedra, with larger fractions of [5] Al and [6] Al in YbAG. Extrapolation of the Al–O coordination distributions to the glass transition match closely with 27 Al nuclear magnetic resonance measurements of (La 1−z Y z ) 3 Al 5 O 12 glasses, z = 0 to 1. During cooling, the mean coordination numbers increase for La–O in LAG from 6.45(8) to 6.98(8) and for Yb–O in YbAG from 6.02(8) to 6.21(8). Linkedness among Al–O polyhedra at ∼2450 K is mostly corner-sharing, with 9% edge-sharing in LAG and 19% in YbAG. Among [4] Al units, both melts have 6% edge-sharing that convert to all corner-sharing upon cooling. Network connectivity is compared using a newly defined metric, K n , that is similar to the Q n distribution but that accounts for the edge-sharing and triply bonded oxygen present in these melts. The lower glass forming ability in YbAG as compared to LAG correlates with more edge-sharing, associated with the larger fractions of [5] Al and [6] Al, and lower connectivity among [4] Al units.

Wilke, Stephen K. [Materials Development, Inc., Ar↗
DOE OSTI2015

TRACING THE MAGNETIC FIELD MORPHOLOGY OF THE LUPUS I MOLECULAR CLOUD

Deep R-band CCD linear polarimetry collected for fields with lines of sight toward the Lupus I molecular cloud is used to investigate the properties of the magnetic field within this molecular cloud. The observed sample contains about 7000 stars, almost 2000 of them with a polarization signal-to-noise ratio larger than 5. These data cover almost the entire main molecular cloud and also sample two diffuse infrared patches in the neighborhood of Lupus I. The large-scale pattern of the plane-of-sky projection of the magnetic field is perpendicular to the main axis of Lupus I, but parallel to the two diffuse infrared patches. A detailed analysis of our polarization data combined with the Herschel/SPIRE 350 μm dust emission map shows that the principal filament of Lupus I is constituted by three main clumps that are acted on by magnetic fields that have different large-scale structural properties. These differences may be the reason for the observed distribution of pre- and protostellar objects along the molecular cloud and the cloud’s apparent evolutionary stage. On the other hand, assuming that the magnetic field is composed of large-scale and turbulent components, we find that the latter is rather similar in all three clumps. The estimated plane-of-sky component of the large-scale magnetic field ranges from about 70 to 200 μG in these clumps. The intensity increases toward the Galactic plane. The mass-to-magnetic flux ratio is much smaller than unity, implying that Lupus I is magnetically supported on large scales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

R K and future b → s ℓ ℓ physics beyond the standard model opportunities

Flavor changing neutral current |ΔB|=|ΔS|=1 processes are sensitive to possible new physics at the electroweak scale and beyond, providing detailed information about flavor, chirality and Lorentz structure. Recently the LHCb collaboration announced a 2.6σ deviation in the measurement of $R_K={\cal{B}}(\bar B \to \bar K \mu \mu)/{\cal{B}}(\bar B \to \bar K ee)$ from the standard model's prediction of lepton universality. We identify dimension six operators which could explain this deviation and study constraints from other measurements. Vector and axial-vector four-fermion operators with flavor structure $\bar s b \bar \ell \ell$ can provide a good description of the data. Tensor operators cannot describe the data. Pseudo-scalar and scalar operators only fit the data with some fine-tuning; they can be further probed with the $\bar B \to \bar K ee$ angular distribution. The data appears to point towards $C_9^{\rm NP \mu} = -C_{10}^{\rm NP \mu }<0$, an $SU(2)_{L}$ invariant direction in parameter space supported by R K , the $\bar B \to \bar K^* \mu \mu$ forward-backward asymmetry and the $\bar B_s \to \mu \mu$ branching ratio, which is currently allowed to be smaller than the standard model prediction. We present two leptoquark models which can explain the FCNC data and give predictions for the LHC and rare decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

SU-E-T-609: Evaluation of Transit Dosimetry Software Using Heterogeneous Phantom

Purpose: The purpose of this work was to evaluate limits and capabilities in the transit dosimetry software for use with the TomoTherapy system by irradiating a heterogeneous phantom. Methods: Helical TomoTherapy plan was created using CIRS phantom (model 062M) with nine various tissue equivalent inserts (lung inhale 0.2 g/cm{sup 3}, lung exhale 0.5 g/cm{sup 3}, adipose 0.96 g/cm{sup 3}, breast 0.99 g/cm{sup 3}, water 1.01 g/cm{sup 3}, muscle 1.06 g/cm{sup 3}, liver 1.07 g/cm{sup 3}, trabecular bone 1.16 g/cm{sup 3}, and dense bone 1.53 g/cm{sup 3}). Targets were contoured within every insert. The phantom was scanned with a 50 cm field of view and 3 mm slice width. Images were imported into the TomoTherapy TPS. A plan was generated to deliver 20 Gy to every insert (2 Gy per fraction) with a jaw width of 2.5 cm, a pitch of 0.430 and an actual modulation factor of 2.621. After the radiation delivery the planning CT, the RT structure, the RT plan, and the RT dose (DICOM format) as well as the exit detector sinogram were imported into the Dosimetry Check software (Math Resolutions, LLC). The 3D delivered doses were reconstructed from the exit detector data by correcting for phantom and couch attenuation. The resulting dose distribution were compared with the TPS planned dose using gamma index. Results: Using the clinical gamma criteria, 3% and 3 mm, all tissue equivalent inserts had a passing percentage of 100% except for 0.2 g/cm{sup 3} and 0.5 g/cm{sup 3} density inserts (gamma value of 81.67% and 99.18% respectively). Conclusion: The evaluated transit dosimetry software provides an independent verification of helical TomoTherapy plans giving additional confidence in the treatment delivery, however, an overestimation of the reconstructed dose in low density materials has been revealed. Implementation of Monte Carlo algorithm for exit dose reconstruction should improve dosimetric accuracy in heterogeneous patient tissues. Agreement with Math Resolutions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Pore2Chip: All-in-one python tool for soil microstructure analysis and micromodel design

The Pore2Chip Python package is designed to create 2D micromodels using extracted data from 3D X-ray computed tomography (XCT) images. This package helps analyze soil structure and function, allowing for the investigation of hydro-biogeochemical processes that impact mineral extraction and reactivity, oxygen concentrations, and nutrient availability in disturbed or managed soils. Key metrics encompass pore size distributions, pore throat size distributions, and connectivity (pore coordination numbers). The final output is a 2D scalable SVG design representing a core or aggregate. Designs can be fabricated with methods such as laser etching, 3D printing, and photolithography.

lab-on-chip↗
DOE OSTI2025

A Semi-supervised Hybrid Machine Learning Framework for the Qualification of Resistance Spot Welds

• Industries requiring high structural integrity, including automotive, aerospace, and construction, place considerable significance on weld quality classification. • The inspection normally involves human expertise through predefined quality metrics that are subjective, error-prone, and time-intensive • The challenge to classification model development is the scarcity of labeled data and imbalanced distributions in the data that are labeled. • This work develops a new hybrid methodology that achieves clustering using KMeans++ together with supervised classification to overcome these challenges. • The ensemble-based classifiers were identified as optimal, with accuracy enhancements of up to 8% using the pseudo-labeled dataset. • The work provides practical insight into feature engineering and machine learning integration in industrial quality assurance applications.

Rogers, Jeremy K. [Savannah River National Laborat↗
DOE OSTI2017

Multiwavelength study of the star formation in the S237 H ii region

We present a detailed multiwavelength study of observations from X-ray, near-infrared, and centimeter wavelengths to probe the star formation processes in the S237 region. Multiwavelength images trace an almost sphere-like shell morphology of the region, which is filled with the 0.5–2 keV X-ray emission. The region contains two distinct environments—a bell-shaped cavity-like structure containing the peak of 1.4 GHz emission at center, and elongated filamentary features without any radio detection at edges of the sphere-like shell—where Herschel clumps are detected. Using the 1.4 GHz continuum and {sup 12}CO line data, the S237 region is found to be excited by a radio spectral type of B0.5V star and is associated with an expanding H ii region. The photoionized gas appears to be responsible for the origin of the bell-shaped structure. The majority of molecular gas is distributed toward a massive Herschel clump (M{sub clump} ∼ 260 M{sub ⊙}), which contains the filamentary features and has a noticeable velocity gradient. The photometric analysis traces the clusters of young stellar objects (YSOs) mainly toward the bell-shaped structure and the filamentary features. Considering the lower dynamical age of the H ii region (i.e., 0.2–0.8 Myr), these clusters are unlikely to be formed by the expansion of the H ii region. Our results also show the existence of a cluster of YSOs and a massive clump at the intersection of filamentary features, indicating that the collisions of these features may have triggered cluster formation, similar to those found in the Serpens South region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Methods and apparatus for capture and storage of semantic information with sub-files in a parallel computing system

Techniques are provided for storing files in a parallel computing system using sub-files with semantically meaningful boundaries. A method is provided for storing at least one file generated by a distributed application in a parallel computing system. The file comprises one or more of a complete file and a plurality of sub-files. The method comprises the steps of obtaining a user specification of semantic information related to the file; providing the semantic information as a data structure description to a data formatting library write function; and storing the semantic information related to the file with one or more of the sub-files in one or more storage nodes of the parallel computing system. The semantic information provides a description of data in the file. The sub-files can be replicated based on semantically meaningful boundaries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Angular Dependence of Drell-Yan in the SeaQuest Experiment using Deep Neural Network-Based Reconstruction

The SeaQuest and SpinQuest experiments at Fermilab were designed to probe the internal dynamics of protons and neutrons via the angular dependence of muons created by colliding 120 GeV protons into stationary targets. To do this, it is necessary to translate the detector data into coherent information about the particles detected in the experiment. This dissertation describes the development and implementation of QTracker, a neural network-based algorithm designed to reconstruct muons. The application of QTracker to experimental data yields improved reconstruction of muon tracks, allowing for a more precise investigation of the transverse momentum distributions and angular modulations in the Drell-Yan process. This work highlights the potential of neural network-based methods to advance particle tracking and enhance our understanding of nucleon structure.

Conover, Arthur↗
DOE OSTI2026

Precision Kinematic Sunyaev--Zel'dovich Measurements Across Halo Mass and Redshift with DESI DR2 and ACT DR6: Part I. Luminous Red Galaxies

We present the most precise measurements of the kinetic Sunyaev-Zel'dovich (kSZ) effect around luminous red galaxies to date, detecting the signal at $18σ$ significance in both harmonic and configuration space. Our analysis cross-correlates 2.4 million spectroscopic LRGs from the Dark Energy Spectroscopic Instrument (DESI) DR2 sample with Data Release 6 (DR6) of the Atacama Cosmology Telescope (ACT). We develop a novel harmonic-space cross-correlation approach using momentum-weighted kSZ templates, yielding nearly uncorrelated bandpowers within a framework consistent with other large-scale structure analyses. By incorporating the LRG halo occupation distribution (HOD) and its uncertainty, we convert measured galaxy gas profiles into halo gas profiles and provide generalized Navarro-Frenk-White (GNFW) fitting profiles, providing empirical targets for tuning feedback efficiency in hydrodynamical simulations and for baryonic modeling in large-scale structure analyses. We find strong evidence that gas profiles do not trace dark matter, providing direct evidence for gas redistribution beyond gravitational collapse. Comparing to hydrodynamical simulations, our measurements favor feedback efficiencies exceeding those in the Battaglia profile, suggesting more efficient gas ejection in group-scale halos than previously predicted. Splitting by redshift, we detect the kSZ signal at SNR $\approx 5$--$10$ in each of four bins and find amplitude evolution consistent with the expected decline in mean halo mass at fixed comoving number density. Splitting by stellar mass, we study the scaling of kSZ amplitude with galaxy properties. Together with BGS and ELG measurements in Paper II, these results span $0.1 \lesssim z \lesssim 1.6$ across three galaxy populations, demonstrating the potential of spectroscopic kSZ to map circumgalactic gas and constrain baryonic feedback.

Qu, F. J. [KIPAC, Menlo Park; Stanford U., HEPL; S↗