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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electronic Spin Relaxation and Clustering in High-Pressure High-Temperature Synthesized Microcrystalline Diamond Particles with Reduced Nitrogen Content

The negatively charged nitrogen-vacancy (NV – ) color center in diamonds is widely studied because of numerous applications of this unique quantum system in sensing and quantum information sciences. While substitutional nitrogen is required to form the NV – centers in diamond, it also yields other paramagnetic defects─primarily the neutrally charged substitutional nitrogen centers (P1)─that decrease NV – spin coherence, which in turn degrades performance in applications. Herein, we investigate high-pressure high-temperature synthesized diamond microparticles (ca. 140–185 μm) having lower─ranging from 3 to 38 ppm─than the typical nitrogen content of type 1b diamond ( ca. 100 ppm and higher) typically used for the production of fluorescent diamond particles with NV – centers. A suite of electron paramagnetic resonance, optically detected magnetic resonance, and nuclear magnetic resonance methods are used to characterize spin properties of P1 and NV – centers in the particles. Upon decreasing the nitrogen content from 29 to 3 ppm, the ensemble NV – T 2 relaxation time increased by about 3-fold as measured directly in the Hahn Echo experiment at magnetic field of 1.2 T. Analysis of electronic relaxation of P1 centers revealed the existence of at least two distinct populations of P1 centers, consisting of fast and slower relaxing spins and allowed for an estimation of local concentrations. Even with <10 ppm nitrogen contents, the analysis indicated a highly heterogeneous distribution of P1 centers, suggesting the possibility of P1 spin clustering even at low nitrogen concentrations. The combined data demonstrate that the particles prepared from HPHT diamond with a low nitrogen content offer improved spin properties that are beneficial for NV – sensing applications.

Carbon↗
DOE OSTI2023

Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis

Pair distribution function (PDF) analysis is a powerful technique for the characterization of short-range order (SRO) in disordered materials. Accurate interpretation of experimental PDF data is critically reliant on the development of structural models that can account for local variations in site occupancies and bond lengths. To this end, we outline an approach to model SRO using first-principles calculations based on the cluster-expansion formalism. These methods are validated on neutron scattering data from two disordered rocksalt oxyfluorides, Li 1.3 Mn 0.4 Ti 0.3 O 1.7 F 0.3 and Li 1.3 Mn 0.4 Nb 0.2 Ti 0.1 O 1.7 F 0.3 . For each composition, we demonstrate that an average structure without any SRO fails to reproduce several key features in the experimental PDF. To pinpoint the origin of the suspected SRO in these materials, configurational and displacive effects were separately investigated using two disparate models. Special quasi-random structures were relaxed using density functional theory to account for local changes in bond lengths while maintaining a near-random ionic configuration. This leads to slightly improved accuracy but still misrepresents asymmetry in the first few peaks of the PDF. Monte Carlo simulations were performed to model configurational SRO on a fixed lattice, which by itself is shown to have a minimal influence on the PDF. Instead, we find that it is the bond length relaxations within environments created by SRO which controls the details of the PDF, thereby highlighting the subtle but important coupling between configurational and displacive SRO in disordered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coordinated JWST Imaging of Three Distance Indicators in a Supernova Host Galaxy and an Estimate of the Tip of the Red Giant Branch Color Dependence

Boasting a 6.5 m mirror in space, JWST can increase by several times the number of supernovae (SNe) to which a redshift-independent distance has been measured with a precision distance indicator (e.g., tip of the red giant branch (TRGB) or Cepheids); the limited number of such SN calibrators currently dominates the uncertainty budget in distance ladder Hubble constant (H 0 ) experiments. JWST/NIRCAM imaging of the Virgo Cluster galaxy NGC 4536 is used here to preview JWST program GO-1995, which aims to measure H 0 using three stellar distance indicators (Cepheids, TRGB, and J-branch asymptotic giant branch/carbon stars). Each population of distance indicator was here successfully detected—with sufficiently large number statistics, well-measured fluxes, and characteristic distributions consistent with ingoing expectations—so as to confirm that we can acquire distances from each method precise to about 0.05 mag (statistical uncertainty only). We leverage overlapping Hubble Space Telescope imaging to identify TRGB stars, crossmatch them with the JWST photometry, and present a preliminary constraint on the slope of the TRGB's F115W versus (F115W – F444W) relation equal to -0.99 ± 0.16 mag mag -1 . This slope is consistent with prior slope measurements in the similar Two Micron All-Sky Survey J band, as well as with predictions from the BaSTI isochrone suite. We use the new TRGB slope estimate to flatten the 2D TRGB feature and measure a (blinded) TRGB distance relative to a set of fiducial TRGB colors, intended to represent the absolute fiducial calibrations expected from geometric anchors such as NGC 4258 and the Magellanic Clouds. In doing so, we empirically demonstrate that the TRGB can be used as a standardizable candle at the IR wavelengths accessible with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Constraining the scatter in the galaxy–halo connection at Milky Way masses

In this work, we develop and implement two new methods for constraining the scatter in the relationship between galaxies and dark matter haloes. These new techniques are sensitive to the scatter at low halo masses, making them complementary to previous constraints that are dependent on clustering amplitudes or rich galaxy groups, both of which are only sensitive to more massive haloes. In both of our methods, we use a galaxy group finder to locate central galaxies in the Sloan Digital Sky Survey main galaxy sample. Our first technique uses the small-scale cross-correlation of central galaxies with all lower mass galaxies. This quantity is sensitive to the satellite fraction of low-mass galaxies, which is in turn driven by the scatter between haloes and galaxies. The second technique uses the kurtosis of the distribution of line-of-sight velocities between central galaxies and neighbouring galaxies. This quantity is sensitive to the distribution of halo masses that contain the central galaxies at fixed stellar mass. Theoretical models are constructed using peak halo circular velocity, Vpeak, as our property to connect galaxies to haloes, and all comparisons between theory and observation are made after first passing the model through the group-finding algorithm. We parametrize scatter as a lognormal distribution in M* at fixed Vpeak, σ[M*|Vpeak]. The cross-correlation technique yields a constraint of σ[M*|Vpeak] = 0.27 ± 0.05 dex at a mean Vpeak of 168 km s-1, corresponding to a scatter in log M* at fixed Mh of σ[M*|Mh] = 0.38 ± 0.06 dex at $M_\text{h}=10^{11.8}\, \text{M}_\odot$. The kurtosis technique yields σ[M*|Vpeak] = 0.30 ± 0.03 at Vpeak = 209 km s-1, corresponding to σ[M*|Mh] = 0.34 ± 0.04 at $M_\text{h}=10^{12.2}\, \text{M}_\odot$. The values of σ[M*|Mh] are significantly larger than the constraints at higher masses, in agreement with the results of hydrodynamic simulations. This increase is only partly due to the scatter between Vpeak and Mh, and it represents an increase of nearly a factor of 2 relative to the values inferred from clustering and group studies at high masses.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1985

Applications of Fuzzy Set Theory to Satellite Soundings

The introduction of an appropriate fuzzy setting for satellite soundings and its application to clustering methods via unimodal fuzzy sets in the future is proposed. Methods of hard clustering analysis and fuzzy partitioned clustering were applied on simulated data with very encouraging results. The proposed clustering technique is discussed. The notion of a unimodal fuzzy set was chosen to represent the partition of a data set for two reasons: (1) it detects all the locations in the vector space where highly concentrated clusters of points exist; and (2) the notion is general enough to represent clusters that exhibit quite general distributions of points. The technique detects all of the existing unimodal fuzzy sets and realizes the maximum separation among them. It is economical in memory space and computational time requirements and also detects groups that are fairly generally distributed in the feature space.

Munteanu, M. J.↗
NASA NTRS1997

Crystal Growth of Undoped and Doped ZnSe

The surface morphology of freshly cleaved ZnSe single crystal grown by the physical vapor transport (PVT) method was investigated by Atomic Force Microscopy (AFM) and the results were correlated with Differential Scanning Calorimetry (DSC) data. Selenium precipitates have been revealed in undoped doped ZnSe crystals having a size of about 50 nm. A transition temperature around 221 C in the DSC measurements is interpreted as the eutectic temperature of Se-saturated ZnSe. The AFM images of doped ZnSe also show that possible Cr clusters are uniformly distributed and they have an estimated size of about 6 nm.

Davis, Swanson L.↗
DOE OSTI2020

An Investigation of Poorly Studied Open Cluster NGC 4337 Using Multicolor Photometric and Gaia DR2 Astrometric Data

We present a comprehensive analysis (photometric and kinematical) of the poorly studied open cluster NGC 4337 using 2MASS, WISE, APASS, and Gaia DR2 databases. By determining the membership probabilities of stars, we identified the 624 most probable members with membership probability higher than 50% by using proper motion and parallax data taken from Gaia DR2. The mean proper motion of the cluster is obtained as μ{sub x}=−8.83±0.01 and μ {sub y} = 1.49 ± 0.006 mas yr{sup −1}. We find the normal interstellar extinction toward the cluster region. The radial distribution of members provides a cluster radius of 7.′75 (5.63 pc). The estimated age of 1600 ± 180 Myr indicates that NGC 4337 is an old open cluster with a bunch of red giant stars. The overall mass function slope for main-sequence stars is found as 1.46±0.18 within the mass range 0.75−2.0 M{sub ⊙}, which is in fair agreement with Salpeter’s value (x = 1.35) within uncertainty. The present study demonstrates that NGC 4337 is a dynamically relaxed open cluster. Using the Galactic potential model, Galactic orbits are obtained for NGC 4337. We found that this object follows a circular path around the Galactic center. Under the kinematical analysis, we compute the apex coordinates (A, D) by using two methods: (i) the classical convergent point method and (ii) the AD-diagram method. The obtained coordinates are (A {sub conv}, D {sub conv}) = (96.°27 ± 0.°10, 13.°14 ± 0.°27) and (A {sub ◦}, D {sub ◦}) = (100.°282 ± 0.°10, 9.°577 ± 0.°323) respectively. We also computed the Velocity Ellipsoid Parameters, matrix elements (μ {sub ij}), direction cosines (l {sub j}, m {sub j}, n {sub j}), and the Galactic longitude of the vertex (l {sub 2}).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Partial atomic charges provide an intuitive and efficient way to describe the charge distribution and the resulting intermolecular electrostatic interactions in liquid water. Many charge models exist and it is unclear which model provides the best assignment of partial atomic charges in response to the local molecular environment. In this work, we systematically scrutinize various electronic structure methods and charge models (Mulliken, natural population analysis, CHelpG, RESP, Hirshfeld, Iterative Hirshfeld, and Bader) by evaluating their performance in predicting the dipole moments of isolated water, water clusters, and liquid water as well as charge transfer in the water dimer and liquid water. Although none of the seven charge models is capable of fully capturing the dipole moment increase from isolated water (1.85 D) to liquid water (about 2.9 D), the Iterative Hirshfeld method performs best for liquid water, reproducing its experimental average molecular dipole moment, yielding a reasonable amount of intermolecular charge transfer, and showing modest sensitivity to the local water environment. The performance of the charge model is dependent on the choice of the density functional and the quantum treatment of the environment. The computed molecular dipole moment of water generally increases with the percentage of the exact Hartree–Fock exchange in the functional, whereas the amount of charge transfer between molecules decreases. For liquid water, including two full solvation shells of surrounding water molecules (within about 5.5 Å of the central water) in the quantum chemical calculation converges the charges of the central water molecule. Furthermore, our final pragmatic quantum chemical charge-assigning protocol for liquid water is the Iterative Hirshfeld method with M06-HF/aug-cc-pVDZ and a quantum region cutoff radius of 5.5 Å.

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

Direct Visualization of Magnetic Correlations in Frustrated Spinel ZnFe 2 O 4

Magnetic materials with the spinel structure (A 2+ B 3+ 2 O 4 ) form the core of numerous magnetic devices, and ZnFe 2 O 4 constitutes a peculiar example where the nature of the magnetism is still unresolved. Susceptibility measurements revealed a cusp around T c = 13 K resembling an antiferromagnetic transition, despite the positive Curie–Weiss temperature determined to be Θ CW = 102.8(1) K. Bifurcation of field-cooled and zero-field-cooled data below T c in conjunction with a frequency dependence of the peak position and a non-zero imaginary component below T c shows it is in fact associated with a spin-glass transition. Highly structured magnetic diffuse neutron scattering from single crystals develops between 50 K and 25 K revealing the presence of magnetic disorder which is correlated in nature. Here, the 3D-mΔPDF method is used to visualize the local magnetic ordering preferences, and ferromagnetic nearest-neighbor and antiferromagnetic third nearest-neighbor correlations are shown to be dominant. Their temperature dependence is extraordinary with some flipping in sign and a strongly varying correlation length. The correlations can be explained by orbital interaction mechanisms for the magnetic pathways and a preferred spin cluster. This study demonstrates the power of the 3D-mΔPDF method in visualizing complex quantum phenomena thereby providing a way to obtain an atomic-scale understanding of magnetic frustration.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evaluating Grid Strength under Uncertain Renewable Generation

The increasing displacement of synchronous generators with renewable resources such as wind and solar via power electronic interfaces causes a reduction in short-circuit strength and weak grid issues. The variation and uncertainty of renewable energy increase challenges for identifying weak grid conditions. This paper proposes an efficient method to analyze the impact of uncertain renewable energy on grid strength. The proposed method uses the probabilistic collocation method (PCM) to approximate the results of grid strength assessment under uncertain renewable generation, in order to reduce computational burden without compromising result accuracy when compared with traditional Monte Carlo simulation (MCS). To improve the accuracy of the approximation results, the proposed method integrates the K-means clustering technique with PCM to select the approximation samples of input variables. The efficacy of the proposed method is demonstrated by comparison with MCS on the modified IEEE 9-bus system and modified IEEE 39-bus system with multiple renewable generators.

grid strength↗
DOE OSTI2021

Beyond the hubble sequence – exploring galaxy morphology with unsupervised machine learning

We explore unsupervised machine learning for galaxy morphology analyses using a combination of feature extraction with a vector-quantized variational autoencoder (VQ-VAE) and hierarchical clustering (HC). We propose a new methodology that includes: (1) consideration of the clustering performance simultaneously when learning features from images; (2) allowing for various distance thresholds within the HC algorithm; (3) using the galaxy orientation to determine the number of clusters. This set-up provides 27 clusters created with this unsupervised learning that we show are well separated based on galaxy shape and structure (e.g. Sérsic index, concentration, asymmetry, Gini coefficient). These resulting clusters also correlate well with physical properties such as the colour–magnitude diagram, and span the range of scaling relations such as mass versus size amongst the different machine-defined clusters. When we merge these multiple clusters into two large preliminary clusters to provide a binary classification, an accuracy of $\sim 87{{\ \rm per\ cent}}$ is reached using an imbalanced data set, matching real galaxy distributions, which includes 22.7 per cent early-type galaxies and 77.3 per cent late-type galaxies. Comparing the given clusters with classic Hubble types (ellipticals, lenticulars, early spirals, late spirals, and irregulars), we show that there is an intrinsic vagueness in visual classification systems, in particular galaxies with transitional features such as lenticulars and early spirals. Based on this, the main result in this work is not how well our unsupervised method matches visual classifications and physical properties, but that the method provides an independent classification that may be more physically meaningful than any visually based ones.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Parallel performance investigations of an unstructured mesh Navier-Stokes solver

A Reynolds-averaged Navier-Stokes solver based on unstructured mesh techniques for analysis of high-lift configurations is described. The method makes use of an agglomeration multigrid solver for convergence acceleration. Implicit line-smoothing is employed to relieve the stiffness associated with highly stretched meshes. A GMRES technique is also implemented to speed convergence at the expense of additional memory usage. The solver is cache efficient and fully vectorizable, and is parallelized using a two-level hybrid MPI-OpenMP implementation suitable for shared and/or distributed memory architectures, as well as clusters of shared memory machines. Convergence and scalability results are illustrated for various high-lift cases.

Mavriplis, Dimitri J.↗
DOE OSTI2021

Scalable, In-situ Data Clustering Data Analysis for Extreme Scale Scientific Computing (Final Report)

The objective of this project is to address challenges in the design and development of scalable in-situ data clustering and analytics algorithms and software. Our goal is to develop parallel software consisting of a set of spatio-temporal data clustering and anomaly detection functions, both of which are very important for large-scale analysis and have wide applicability for in-situ runs as well as post-processing analysis. Our design principles for in-situ analysis consider the following: (1) identify parts of the computation can be done close to the data within the nodes, while it is still in memory; (2) extract analysis components can (and should) be performed in remote staging and analysis nodes; (3) develop error-bound approximation methods for applications tolerable for small errors; (4) identify the type of derived distributions and statistics, for spatio-temporal data, that can be kept locally in order to both accelerate computations and meet energy constraints in subsequent iterations and phases; (5) use a self-describing data format so that data can be consistent and understood among local storage (memory and SSDs) and at staging and analysis nodes, thereby providing portability and flexibility; (6) develop service-oriented functions that can schedule in-situ and post-hoc analysis tasks based on the dynamic requirements of applications. Our development focus is to produce the parallel data analysis software/library that will be scalable, reusable, extensible, and generic for applications in different disciplines. The software will be able to run in-situ with the simulations as well as post-hoc analysis. This approach will satisfy many synergistic requirements for data intensive applications executed on data coming from instruments and experiments. In particular, the proposed multilevel approach is directly applicable to perform design tradeoffs for running part of the algorithms near the instruments and the rest on remote (analysis) systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A Census of Star Formation in the Outer Galaxy. II. The GLIMPSE360 Field

We have conducted a study of star formation in the outer Galaxy from 65°< l < 265° in the region observed by the GLIMPSE360 program. This Spitzer warm mission program mapped the plane of the outer Milky Way with IRAC at 3.6 and 4.5 μm. We combine the IRAC, Wide-field Infrared Survey Explorer (WISE), and Two Micron All Sky Survey catalogs and our previous results from another outer Galaxy survey and identify a total of 47,338 young stellar objects (YSOs) across the field spanning >180° in Galactic longitude. Using the DBSCAN method on the combined catalog, we identify 618 clusters or aggregations of YSOs having five or more members. We identify 10,476 class I, 29,604 class II, and 7325 anemic class II/class III YSOs. The ratio of YSOs identified as members of clusters was 25,528/47,338, or 54%. We found that 100 of the clusters identified have previously measured distances in the WISE H ii survey. We used these distances in our spectral energy distribution (SED) fitting of the YSOs in these clusters, of which 96 had YSOs with <3σ fits. We used the derived masses from the SED model fits to estimate the initial mass function (IMF) in the inner and outer Galaxy clusters; dividing the clusters by galactocentric distances, the slopes were Γ = 1.87 ± 0.31 above 3 M {sub ⊙} for R {sub Gal} < 11.5 kpc and Γ = 1.15 ± 0.24 above 3 M {sub ⊙} for R {sub Gal} > 11.5 kpc. The slope of the combined IMF was found to be Γ = 1.92 ± 0.42 above 3 M {sub ⊙}. These values are consistent with each other within the uncertainties and with literature values in the inner Galaxy high-mass star formation regions. The slopes are likely also consistent with a universal Salpeter IMF.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Parallelization of an Object-Oriented Unstructured Aeroacoustics Solver

A computational aeroacoustics code based on the discontinuous Galerkin method is ported to several parallel platforms using MPI. The discontinuous Galerkin method is a compact high-order method that retains its accuracy and robustness on non-smooth unstructured meshes. In its semi-discrete form, the discontinuous Galerkin method can be combined with explicit time marching methods making it well suited to time accurate computations. The compact nature of the discontinuous Galerkin method also makes it well suited for distributed memory parallel platforms. The original serial code was written using an object-oriented approach and was previously optimized for cache-based machines. The port to parallel platforms was achieved simply by treating partition boundaries as a type of boundary condition. Code modifications were minimal because boundary conditions were abstractions in the original program. Scalability results are presented for the SCI Origin, IBM SP2, and clusters of SGI and Sun workstations. Slightly superlinear speedup is achieved on a fixed-size problem on the Origin, due to cache effects.

Baggag, Abdelkader↗
NASA NTRS2012

The Resolved Stellar Population in 50 Regions of M83 from HST/WFC3 Early Release Science Observations

We present a multi-wavelength photometric study of approximately 15,000 resolved stars in the nearby spiral galaxy M83 (NGC 5236, D = 4.61 Mpc) based on Hubble Space Telescope Wide Field Camera 3 observations using four filters: F336W, F438W, F555W, and F814W. We select 50 regions (an average size of 260 pc by 280 pc) in the spiral arm and inter-arm areas of M83 and determine the age distribution of the luminous stellar populations in each region. This is accomplished by correcting for extinction toward each individual star by comparing its colors with predictions from stellar isochrones.We compare the resulting luminosity-weighted mean ages of the luminous stars in the 50 regions with those determined from several independent methods, including the number ratio of red-to-blue supergiants, morphological appearance of the regions, surface brightness fluctuations, and the ages of clusters in the regions. We find reasonably good agreement between these methods. We also find that young stars are much more likely to be found in concentrated aggregates along spiral arms, while older stars are more dispersed. These results are consistent with the scenario that star formation is associated with the spiral arms, and stars form primarily in star clusters and then disperse on short timescales to form the field population. The locations ofWolf-Rayet stars are found to correlate with the positions of many of the youngest regions, providing additional support for our ability to accurately estimate ages. We address the effects of spatial resolution on the measured colors, magnitudes, and age estimates. While individual stars can occasionally show measurable differences in the colors and magnitudes, the age estimates for entire regions are only slightly affected.

Hubble Space Telescope↗
NASA NTRSDate not supplied

Metallic Powder Core Tubular Wire (PCTW) Development for Additive Manufacturing

NASA Langley Research Center (LaRC) in Hampton, VA, and the Center for Welding, Joining, and Coating Research (CWJCR) in the Department of Metallurgical and Materials Engineering at the Colorado School of Mines (CSM) in Golden, CO, have collaborated for nearly fifteen years to develop metallic powder core tubular wire (PCTW) feedstock for additive manufacturing (AM) using electron beam deposition. The motivation for this development was to offset dealloying observed during deposition of titanium and aluminum alloy solid wire feedstock in the LaRC electron beam freeform fabrication (EBF3) system and to explore novel alloy compositions by tailoring the powder fill. EBF3 is a fusion-based AM process that is performed under vacuum and is consequently prone to vaporization loss of low vapor pressure alloying elements. Research spanning four graduate student research projects succeeded in developing the basic methodology to fabricate PCTW, the mass balance equations used to define the powder fill, microstructure control through particulate inoculation, and the feasibility of producing metal matrix composite materials. Metallic PCTW is comprised of a thin foil sheath wrapped around a powder blend. Fabrication of PCTW at CSM was accomplished using a tubular wire mill system to first bend a flat strip into a u-shaped cross section, deposit a powder fill, create a lap joint to seal the wire, and draw to final diameter. Powder management systems were developed to ensure uniform mixing of powder constituents and identify feed rates for optimum fill ratios. Processing parameters were successfully developed for titanium and aluminum alloy sheaths to account for material work hardening during drawing. Mass balance equations were developed to account for compositional contributions of the sheath and powder fill. PCTW composition can be adjusted through selection of the sheath or powder materials. PCTWs were successfully developed to offset Al loss in deposits of Ti-6-4 and Mg loss in Al 6061, resulting in deposits that were within the composition limits for each material. Ti-6-4 deposits were fabricated using PCTW comprised of commercially pure (CP) titanium sheath and a fill of pre-alloyed Ti-6-4 powder with additions of elemental Al and V powders. Additions of both elements were required to account for the CP Ti from the sheath, and Al was further enhanced to offset documented losses in EBF3 deposits. For Al 6061 deposits, composition was modulated through the choice of sheath material. The PCTW was made using an Al 5052 sheath to supplement Mg content and a fill composition of pre-alloyed 6061 powder with additions of Si and Cu.The slower solidification rate of the EBF3 process compared with laser powder bed fusion processes can lead to coarse-grained microstructures and mechanical property anisotropy. EBF3deposits of Ti-6-4 exhibited large epitaxially grown β grains, which result in degraded mechanical properties in the deposition direction. Microstructure refinement was achieved through a combination of electron beam modulation and the use of a PCTW designed for Ti-6-4 deposits and modified by the addition of powder made from Fe and B. Resulting deposits exhibited reductions in β grain size, α phase colony intercept length and lath width, and an increased volume fraction of β phase. The mechanism of microstructure refinement was related to precipitation of boride particles. Hardness testing confirmed that mechanical property anisotropy was reduced and an overall increase in hardness was achieved.Metal matrix composite (MMC) materials offer strength and stiffness benefits over unreinforced materials. Two methods were investigated using PCTW technology for producing Al 6061 basedMMC materials; the direct addition of SiC reinforcing particles and the in-situ generation of reinforcements through reaction synthesis of precursor powders. Al 6061 based MMCs reinforced with SiC exhibited particle clustering and formation of aluminum carbides during deposition. The application of a Ni coating to the SiC particles prior to incorporation into the powder fill eliminated aluminum carbide formation and aided particle distribution during deposition. Modulation of beam focus and power further reduced aluminum carbide formation and aided particle distribution. In reaction synthesis, precursor additions undergo an exothermic reaction during deposition to form new ceramic products, generally of finer scale than the initial precursor components. The product phases provide reinforcement in the MMC and act as nucleation sites during solidification, resulting in grain refinement, improved mechanical properties, and reduced susceptibility to solidification cracking. Higher tensile strength and stiffness were demonstrated in Al 6061 based MMCs with 2 vol% reinforcement. These combined research efforts demonstrate the potential of PCTW technology for customizing of alloy composition and achieving microstructure control. A manufacturing process for titanium- and aluminum-based PCTWs was developed based on iterative design, theoretical calculations, and empirical data. PCTW technology successfully mitigated Al loss from Ti-6-4 and Mg loss in Al 6061, resulted in grain refinement in Ti-6-4, and demonstrated fabrication of Al based MMCs

Marcia S Domack↗
DOE OSTI2022

Do graph neural networks learn traditional jet substructure?

At the CERN LHC, the task of jet tagging, whose goal is to infer the origin of a jet given a set of final-state particles, is dominated by machine learning methods. Graph neural networks have been used to address this task by treating jets as point clouds with underlying, learnable, edge connections between the particles inside. We explore the decision-making process for one such state-of-the-art network, ParticleNet, by looking for relevant edge connections identified using the layerwise-relevance propagation technique. As the model is trained, we observe changes in the distribution of relevant edges connecting different intermediate clusters of particles, known as subjets. The resulting distribution of subjet connections is different for signal jets originating from top quarks, whose subjets typically correspond to its three decay products, and background jets originating from lighter quarks and gluons. This behavior indicates that the model is using traditional jet substructure observables, such as the number of prongs -- energetic particle clusters -- within a jet, when identifying jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗