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DOE OSTI2025

Unraveling trace anomaly of supradense matter via neutron star compactness scaling

The trace anomaly Δ ≡ 1/3 −𝑃/𝜖 =1/3 −𝜙 quantifies the possibly broken conformal symmetry in supradense matter under pressure 𝑃 at energy density 𝜖. Perturbative QCD (pQCD) predicts a vanishing Δ at extremely high energy or baryon densities when the conformal symmetry is realized but its behavior at intermediate densities reachable in neutron stars (NSs) is still very uncertain. The extraction of Δ from NS observations strongly depends on the employed model for nuclear equation of state (EOS). Using the IPAD-TOV method based on an intrinsic and perturbative analysis of the dimensionless (IPAD) Tolman-Oppenheimer-Volkoff (TOV) equations that are further verified numerically by using 10 5 EOSs generated randomly with a metamodel in a very broad EOS parameter space constrained by terrestrial nuclear experiments and astrophysical observations, here we first show that the compactness 𝜉 ≡ 𝐺⁡𝑀 NS /𝑅⁢𝑐 2 ≡ 𝑀 NS /𝑅 of a NS with mass 𝑀 NS and radius 𝑅 scales very accurately with $\bar{Π}$ c ≡ $Π$ c · (1 +18⁢X/25) ≡ X/(1 +3⁢X 2 +4⁢X) · (1 +18⁢X/25) where X ≡ 𝜙 c = 𝑃 c /𝜖 c is the ratio of pressure over energy density at NS centers. The scaling of NS compactness thus enables one to readily read off the central trace anomaly Δ c = 1/3 −X directly from the observational data of either the mass-radius or red-shift measurements. Finally, we then demonstrate indeed that the available NS data themselves from recent X-ray and gravitational wave observations can determine model insensitively the trace anomaly as a function of energy density in NS cores, providing a stringent test of existing NS models and a clear guidance in a new direction for further understanding the nature and EOS of supradense matter.

nuclear astrophysics↗

DOE OSTI2023

Emulation of seismic-phase traveltimes with machine learning

SUMMARY We present a machine learning (ML) method for emulating seismic-phase traveltimes that are computed using a global-scale 3-D earth model and physics-based ray tracing. Accurate traveltime predictions based on 3-D earth models are known to reduce the bias of event location estimates, increase our ability to assign phase labels to seismic detections and associate detections to events. However, practical use of 3-D models is challenged by slow computational speed and the unwieldiness of pre-computed lookup tables that are often large and have prescribed computational grids. In this work, we train a ML emulator using pre-computed traveltimes, resulting in a compact and computationally fast way to approximate traveltimes that are based on a 3-D earth model. Our model is trained using approximately 850 million P-wave traveltimes that are based on the global LLNL-G3D-JPS model, which was developed for more accurate event location. The training-set consists of traveltimes between 10 393 global seismic stations and randomly sampled event locations that provide a prescribed, distance-dependent geographic sample density for each station. Prediction accuracy is dependent on event-station distance and whether the station was included in the training set. For stations included in the training set the mean absolute deviation (MAD) of the difference between traveltimes computed using ray tracing through the 3-D model and the ML emulator for local, regional, and teleseismic distances are 0.090, 0.125 and 0.121 s, respectively. For tested station locations not included in the training set, MAD values for the three distance ranges increase to 0.173, 0.219 and 0.210 s, respectively. Empirical traveltime residuals for a global reference data are indistinguishable when ML emulation or the 3-D model is used to compute traveltimes. This result holds regardless of whether the recording station is used in ML training or not.

58 GEOSCIENCES↗

DOE OSTI2025

Detecting outbreaks using a spatial latent field

In this paper, we present a method for estimating the infection-rate of a disease as a spatial-temporal field. Our data comprises time-series case-counts of symptomatic patients in various areal units of a region. We extend an epidemiological model, originally designed for a single areal unit, to accommodate multiple units. The field estimation is framed within a Bayesian context, utilizing a parameterized Gaussian random field as a spatial prior. We apply an adaptive Markov chain Monte Carlo method to sample the posterior distribution of the model parameters condition on COVID-19 case-count data from three adjacent counties in New Mexico, USA. Our results suggest that the correlation between epidemiological dynamics in neighboring regions helps regularize estimations in areas with high variance (i.e., poor quality) data. Using the calibrated epidemic model, we forecast the infection-rate over each areal unit and develop a simple anomaly detector to signal new epidemic waves. Our findings show that anomaly detector based on estimated infection-rates outperforms a conventional algorithm that relies solely on case-counts.

Safta, Cosmin [Sandia National Laboratories (SNL-C↗

NASA NTRS1997

Csa-19, a radiation-responsive human gene, identified by an unbiased two-gel cDNA library screening method in human cancer cells

A novel polymerase chain reaction (PCR)-based method was used to identify candidate genes whose expression is altered in cancer cells by ionizing radiation. Transcriptional induction of randomly selected genes in control versus irradiated human HL60 cells was compared. Among several complementary DNA (cDNA) clones recovered by this approach, one cDNA clone (CL68-5) was downregulated in X-irradiated HL60 cells but unaffected by 12-O-tetradecanoyl phorbol-13-acetate, forskolin, or cyclosporin-A. DNA sequencing of the CL68-5 cDNA revealed 100% nucleotide sequence homology to the reported human Csa-19 gene. Northern blot analysis of RNA from control and irradiated cells revealed the expression of a single 0.7-kilobase (kb) messenger RNA (mRNA) transcript. This 0.7-kb Csa-19 mRNA transcript was also expressed in a variety of human adult and corresponding fetal normal tissues. Moreover, when the effect of X- or fission neutron-irradiation on Csa-19 mRNA was compared in cultured human cells differing in p53 gene status (p53-/- versus p53+/+), downregulation of Csa-19 by X-rays or fission neutrons was similar in p53-wild type and p53-null cell lines. Our results provide the first known example of a radiation-responsive gene in human cancer cells whose expression is not associated with p53, adenylate cyclase or protein kinase C.

NASA Discipline Radiation Health↗

NASA NTRS1999

Lateral and Vertical Heterogeneity of Thorium in the Procellarum KREEP Terrane: As Reflected in the Ejecta Deposits of Post-Imbrium Craters

The Procellarum KREEP Terrane displays the highest concentrations of Th on the Moon. However, locations of elevated Th in this region appear to be random. As observed in the 5 deg per pixel equal-area Th data, and made more evident in the preliminary 2 deg data, Th is enhanced around the craters Aristillus, Aristarchus, Kepler, Mairan, the Apennine Bench formation, and the Fra Mauro region, while noticeably and unexpectedly lower in other locations (e.g., Archimedes, Copernicus, Eratosthenes, and Plato). We have examined the composition of the materials present in these regions with the goal of understanding the patchy nature to the distribution of Th and ultimately to decipher the geologic processes that have concentrated the Th. At present time, the published resolution of the Lunar Prospector Th gamma-ray data is low (5 deg per pixel), but this will soon be superceded by significantly higher-resolution data (2 deg per pixel). Even at this improved resolution, however, it is difficult to resolve the units that are the major source of Th. In an attempt to circumvent this problem, we employ the higher-resolution Clementine multispectral data for those regions mentioned above. We use the UV-VIS-derived compositional information and the spectral properties of craters, and their ejecta as drill holes through the mare-basalt surface to investigate the thickness and composition of underlying material. With this information we attempt to piece together the stratigraphy and geologic history of the Imbrium-Procellanim region. We processed the five-band multispectral data from the Clementine Mission (415, 750,900,950, and 1000nm) using ISIS software and calibration parameters developed by the USGS, Flagstaff, Arizona. Final image mosaics are in equal-area sinusoidal projection, and have a resolution of 250 m/pixel. Using the method of we produced maps of FeO and Ti02 composition. Here we examine the Th, FeO, and Ti02 composition and spectral properties of the craters discussed above and their ejecta, with the goal of describing the materials they excavate. One interpretation for the origin of the high-Th material is that subsurface KREEPy materials have been excavated by impact craters. The material excavated may be either volcanic KREEP (e,g., Apennine Bench Formation), KREEPy impact-melt breccia formed by the Imbrium impact (e.g., Fra Mauro Formation), or other KREEP-rich crustal material. Determining which type of material is responsible for the elevated Th and its extent is important to understanding the premare and possibly the prebasin stratigraphy of the Imbrium-Procellarum Region. Merging the 5 deg. Th data with the shaded relief map, we observe that the highest Th concentrations are not related to pre-Imbrium upper crustal materials. The Apennines, Alpes, and Caucasus Mountains represent the pre-Imbrian highlands material and do not express concentrations of Th, FeO, and TiO2 as high as the most Th-fich materials exposed within the Procellarum KREEP Terrane. We observe that, in general, these massifs contain 10-14 wt% FeO and 4-7 ppm Th. Determining whether the Th signal is from KREEP basalts or KREEPy impact-melt breccias cannot be done with the Clementine data because the two rock types are compositionally and mineralogically too similar (e.g., the Th-rich, mafic impact-melt breccias in the Apollo sample collection are dominated by a KREEP-basalt like component. Mapping-the distribution and sizes of craters and whether they display elevated Th concentrations or not, should reveal the depth and thickness of the KREEP-rich materials, and whether they are ubiquitous (i.e., impact-melt breccia) or more randomly distributed; this might be taken as an indicator of localized KREEP-basalt flows. Within the southeastern region of the Imbrium basin, there are two Th hot spots. The first is associated with the crater Aristillus, and the latter with the Apennine Bench Formation. Adjacent to these two hot spots are craters with a lower Th signature: Archimedes and Autolycus. We observe in the ejecta of Aristillus, a region of significantly lower FeO (10-14 wt%) relative to the surrounding mare basalt. The crater Autolycus, 50 km to the south, did not excavate similar low-FeO material. We suggest that the lower-FeO material in the ejecta of Aristillus corresponds to Th-rich material; the FeO content observed in Aristillus ejecta is comparable to that of KREEP basalt or mafic impact melt breccia (10-12 wt% FeO). We determine that this low FeO, Th-rich material is volcanic KREEP, as opposed to Imbrium impact melt, on the basis that the low-Fe material is exposed more prominently in ejecta in the northern portion of Aristillus. Our assumption is that if the layer underlying Aristillus was continuous, a more widespread and uniform low-Fe signature wouldbe observed in the ejecta deposit. Archimedes, 110 km southwest of Aristillus, impacted the northern portion of the Apennine Bench prior to the eruption of KREEP basalt. Archimedes rim material is not as enriched in Th as the Apennine Bench, and there are differences between the two in FeO concentration and in their continuum slope. Archimedes exhibits a much steeperor "redder" continuum slope than the Apennine Bench. This steepslope suggests the presence of glassy material. The glassy material is concentrated around an unnamed crater on the southern rim of Archimedes (4.5W, 28.2N) and along the northern rim of Archimedes. We suggest two possibilities, or a combination of the two, to explain the low-Th signal from Archimedes: (1) The Apennine Bench prior to KREEP basalt eruption was lower in Th (4-7 ppm, e.g., similar to the Apennine massifs) and KREEP basalts are absent in the rim of Archimedes; or (2) the glassy (possibly pyroclastic) material layering the rim of the Archimedes, dilutes any high-Th material present with low-Th material. (Additional information is contained in the original)

Gillis, J. J.↗

DOE OSTI2021

Deployment of salt sample extraction system at an engineering-scale electrorefiner

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness of sampling-based accountancy measurements. Two technologies under development in support of this goal are a vacuum sampling loop module and a high-throughput pneumatic sample generator module. Compared to traditional point sampling approaches (i.e., dip probes), the vacuum sampling loop facilitates the collection of a larger cross-section of the bulk salt in order to collect more representative samples. The vacuum sampling approach also eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. The pneumatic sample generator module is used to facilitate high-throughput sample analysis to improve the measurement precision of any given analytical technique by averaging out random sampling and measurement errors. In FY21, two methods for integrating these two modules were tested including direct fluidic coupling and coupling using a solid salt transfer mechanism. Solid salt transfer was ultimately selected over fluidic coupling, primarily to enable the transport of samples over longer distances to support automated at-line integration with high-precision techniques (such as microcalorimetry) that cannot withstand the conditions near an electrorefining process. To facilitate rapid solid salt coupling, new mechanisms were developed for rapidly charging and discharging salt sample tubes at the vacuum sampling loop and pneumatic sample generator modules, respectively. While the charging mechanism will be deployed in FY22, the discharge mechanism was tested in FY21 and is described here. The solid salt tube transfer method was deployed at one of Argonne’s engineering-scale electrorefiners to implement at-line high-throughput pneumatic micro-sample generation capabilities. The approach was used to generate precise uranium- and lanthanide-bearing electrorefiner micro-samples with the specific dimensions requested by researchers at Los Alamos National Laboratory for use in testing their novel microcalorimeter x-ray techniques. The solid salt transfer mechanism proved not only to be an effective means of integrating the precision sample generator with vacuum sampling, but also improved the performance of the sampler generator. To discharge salt from the sample tubes at the sampler generator, tube segments were inserted directly into the sample generator’s Helmholtz chamber and pressure pulse actuations were used to generate precision molten salt samples directly from the tube segments. The direct insertion of sample tubes into the sample generator enabled rapid loading of the salt and prevented salt from contacting most of the interior surfaces of the sample generator, which eliminated cross-contamination between runs. The vacuum sampling-loop tube charging mechanism will support high-throughput tube sampling operations by employing a dynamic vacuum filling process to fill short charge tubes that are configured to be rapidly connected and disconnected from the loop. The dynamic vacuum sampling operation will be automated, and sample tube handling can be executed with simple overhead actuation. Because the modular sampling approach described here eliminates the need for new high-radiation sample handling capabilities, salt-wetted seals, salt-wetted moving parts, and heated transfer lines outside the electrorefiner, it will address most of the remaining technical challenges for the at-line deployment of high-precision analytical techniques which will enable significant reductions in the time delay for sampling-based high-precision accountancy measurements.

42 ENGINEERING↗

NASA NTRS2004

Brazing SiC/SiC Composites to Metals

Experiments have shown that active brazing alloys (ABAs) can be used to join SiC/SiC composite materials to metals, with bond strengths sufficient for some structural applications. The SiC/SiC composite coupons used in the experiments were made from polymerbased SiC fiber preforms that were chemical-vapor-infiltrated with SiC to form SiC matrices. Some of the metal coupons used in the experiments were made from 304 stainless steel; others were made from oxygen-free, high-conductivity copper. Three ABAs were chosen for the experiments: two were chosen randomly from among a number of ABAs that were on hand at the time; the third ABA was chosen because its titanium content (1.25 percent) is less than those of the other two ABAs (1.75 and 4.5 percent, respectively) and it was desired to evaluate the effect of reducing the titanium content, as described below. The characteristics of ABAs that are considered to be beneficial for the purpose of joining SiC/SiC to metal include wettability, reactivity, and adhesion to SiC-based ceramics. Prior to further development, it was verified that the three chosen ABAs have these characteristics. For each ABA, suitable vacuum brazing process conditions were established empirically by producing a series of (SiC/SiC)/ABA wetting samples. These samples were then sectioned and subjected to scanning electron microscopy (SEM) and energy-dispersive x-ray spectrometry (EDS) for analysis of their microstructures and compositions. Specimens for destructive mechanical tests were fabricated by brazing of lap joints between SiC/SiC coupons 1/8-in. (.3.2- mm) thick and, variously, stainless steel or copper tabs. The results of destructive mechanical tests and the SEM/EDS analysis were used to guide the development of a viable method of brazing the affected materials.

Steffier, Wayne S.↗

DOE OSTI2025

Multifrequency Models of Black Hole Photon Rings from Low-luminosity Accretion Disks

Images of black holes encode both astrophysical and gravitational properties. Detecting highly lensed features in images can differentiate between these two effects. We present an accretion disk emission model coupled to the Adaptive Analytical Ray Tracing (AART) code that allows a fast parameter space exploration of black hole photon ring images produced from synchrotron emission from 10 to 670 GHz. As an application, we systematically study several disk models and compute their total flux density, average radii, and optical depth. The model parameters are chosen around fiducial values calibrated to general relativistic magnetohydrodynamic (GRMHD) simulations and observations of M87*. For the parameter space studied, we characterize the transition between optically thin and thick regimes and the frequency at which the first photon ring is observable. Our results highlight the need for careful definitions of photon ring radius in the image domain, as in certain models the highly lensed photon ring is dimmer than the direct emission at certain angles. We find that at low frequencies the ring radii are set by the electron temperature, while at higher frequencies the magnetic field strength plays a more significant role, demonstrating how multifrequency analysis can also be used to infer plasma parameters. Lastly, we show how our implementation can qualitatively reproduce multifrequency black hole images from GRMHD simulations when adding time variability to our disk model through Gaussian random fields. This approach provides a new method for simulating observations from the Event Horizon Telescope and the proposed Black Hole Explorer space mission.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1987

Computation of asymmetric supersonic flows around cones at large incidence

The Schiff-Steger parabolized Navier-Stokes (PNS) code has been modified to allow computation of conical flowfields around cones at high incidence. The improved algorithm of Degani and Schiff has been incorporated with the PNS code. This algorithm adds the cross derivative and circumferential viscous terms to the original PNS code and modifies the algebraic eddy viscosity turbulence model to take into account regions of so called cross-flow separation. Assuming the flowfield is conical (but not necessarily symmetric) a marching stepback procedure is used: the solution is marched one step downstream using improved PNS code and the flow variables are then scaled to place the solution back to the original station. The process is repeated until no change in the flow variables is observed with further marching. The flow variables are then constant along rays of the flowfield. The experiments obtained by Bannik and Nebbeling were chosen as a test case. In these experiments a cone of 7.5 deg. half angle at Mach number 2.94 and Reynolds number 1.372 x 10(7) was tested up 34 deg. angle of attack. At high angle of attack nonconical asymmetric leeward side vortex patterns were observed. In the first set of computations, using an earlier obtained solution of the above cone for angle of attack of 22.6 deg. and at station x=0.5 as a starting solution, the angle of attack was gradually increased up to 34 deg. During this procedure the grid was carfully adjusted to capture the bow shock. A stable, converged symmetric solution was obtained. Since the numerical code converged to a symmetric solution which is not the physical one, the stability was tested by a random perturbation at each point. The possible effect of surface roughness or non perfect body shape was also investigated. It was concluded that although the assumption of conical viscous flows can be very useful for certain cases, it can not be used for the present case. Thus the second part of the investigation attempted to obtain a marching (in space) solution with the PNS method using the conical solution as initial data. Finally, the solution of the full Navier-Stokes equations was carried out.

Degani, David↗

DOE OSTI2021

Modeling the spectral modification of lower hybrid wave in the presence of drift-wave type density fluctuation in the scrape-off-layer of the EAST tokamak

In this work, the spectrum change of the lower hybrid (LH) waves caused by a low-frequency density fluctuation in the scrape-off-layer is studied by applying the wave scattering model developed by Bonoli and Ott [Phys. Fluids 25, 359 (1982)] via a Monte Carlo method. A ray-tracing model specific to this purpose is developed to evaluate the probability distribution of both the poloidal refractive index (N θ ) and the parallel refractive index (N ∥ ) of the LH wave at the last closed flux surface (LCFS).The probability distributions of N ∥ and N θ at the LCFS are studied using the EAST parameters as a function of wave frequency, the initial N ∥ , and the polar injection position, which may influence the lower hybrid current drive efficiency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1995

An experimental study of light scattering by large, irregular particles

The intensity and polarization of light scattered by a variety of types of artificial partices large compared to the wavelength were measured as a function of phase angle. Shape, surface roughness, absorption coefficient, and internal scattering coefficient were varied systematically and their effects studied. Scattering by clear, smooth-surfaced spheres is in quantitative agreement with the predictions of the geometrical optics (ray theory) approximation to physical optics (Mie theory). The phase functions of almost all of the particles measured have both forward and backward scattering lobes. A two-parameter, double Henyey-Greenstein function generally provides reasonably good descriptions of the data, while keeping the number of free parameters to the minimum necessary. On a double Henyey- Greenstein parameter plot all of the particles fall into an L-shaped area of restricted size in which the location is characteristic of the particle type. Formalisms based on the equivalent slab model are also given for estimating the scattering efficiency of a large, irregular particle. For most dielectric particles the transmitted, forward scattered light is partially negatively polarized. It is this component that is respopnsible for the well-known maximum in the polarization curves of planetary regoliths at phase angles around 100 deg. For phase angles between about 30 deg and 70 deg the internally scattered light is found to be randomly polarized in the particles studied here, so that the only contribution to the second component of the Stokes vector is by Fresnel reflection from the particle surface. If this empirical result is general, measurement of the second Stokes vector of the light scattered from a regolith at these angles may provide a method of remotely measuring the mean refractive index.

Mcguire, Audrey F.↗

NASA NTRS1996

Defect Structure of Beta NiAl Using the BFS Method for Alloys

The semiempirical BFS method for alloys is generalized by replacing experimental input with first-principles results thus allowing for the study of complex systems. In order to examine trends and behavior of a system in the vicinity of a given point of the phase diagram a search procedure based on a sampling of selected configurations is employed. This new approach is applied to the study of the beta phase of the Ni-Al system, which exists over a range of composition from 45-60 at.% Ni. This methodology results in a straightforward and economical way of reproducing and understanding the basic features of this system. At the stoichiometric composition, NiAl should exist in a perfectly ordered B2 structure. Ni-rich alloys are characterized by antisite point defects (with Ni atoms in the Al sites) with a decrease in lattice parameters. On the Al-rich side of stoichiometry there is a steep decrease in lattice parameter and density with increasing Al content. The presence of vacancies in Ni sites would explain such behavior. Recent X-ray diffraction experiments suggest a richer structure: the evidence, while strongly favoring the presence of vacancies in Ni sites, also suggests the possibility of some vacancies in Al sites in a 3:1 ratio. Moreover, local ordering of vacant sites may be preferred over a random distribution of individual point defects.

Bozzolo, Guillermo↗

DOE OSTI2023

Quasiparticle random-phase approximation calculations for M 1 transitions with the noniterative finite-amplitude method and application to neutron radiative capture cross sections

Here, we derive the equations of quasiparticle random-phase approximation (QRPA) based on the finite amplitude method with the Hartree-Fock+Bardeen–Cooper–Schrieffer (HF+BCS) single-particle states, and calculate the magnetic dipole (M⁢1) transition for deformed gadolinium isotopes. Our QRPA calculation shows both large spin-flip transitions in the 5 to 10 MeV excitation energy and the low energy orbital transition that would correspond to the M⁢1 scissors mode observed in nuclear experiments. Then, we calculate neutron capture reactions based on the statistical Hauser-Feshbach theory with the photoabsorption cross sections of even-even nuclei given by QRPA. We find that the capture cross section is enhanced due to the contribution from the low energy M⁢1 transition although the calculated capture cross section still underestimates the experimental data. This issue in the calculated capture cross section could be improved by uncertainties of the low energy E⁢1 transition neglected in our QRPA calculation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2002

Large Coded Aperture Mask for Spaceflight Hard X-ray Images

The 2.6 square meter coded aperture mask is a vital part of the Burst Alert Telescope on the Swift mission. A random, but known pattern of more than 50,000 lead tiles, each 5 mm square, was bonded to a large honeycomb panel which projects a shadow on the detector array during a gamma ray burst. A two-year development process was necessary to explore ideas, apply techniques, and finalize procedures to meet the strict requirements for the coded aperture mask. Challenges included finding a honeycomb substrate with minimal gamma ray attenuation, selecting an adhesive with adequate bond strength to hold the tiles in place but soft enough to allow the tiles to expand and contract without distorting the panel under large temperature gradients, and eliminating excess adhesive from all untiled areas. The largest challenge was to find an efficient way to bond the > 50,000 lead tiles to the panel with positional tolerances measured in microns. In order to generate the desired bondline, adhesive was applied and allowed to cure to each tile. The pre-cured tiles were located in a tool to maintain positional accuracy, wet adhesive was applied to the panel, and it was lowered to the tile surface with synchronized actuators. Using this procedure, the entire tile pattern was transferred to the large honeycomb panel in a single bond. The pressure for the bond was achieved by enclosing the entire system in a vacuum bag. Thermal vacuum and acoustic tests validated this approach. This paper discusses the methods, materials, and techniques used to fabricate this very large and unique coded aperture mask for the Swift mission.

Vigneau, Danielle N.↗

DOE OSTI2022

Elucidating the Atomic Structures of the Gel Layer Formed during Aluminoborosilicate Glass Dissolution: An Integrated Experimental and Simulation Study

The altered glasses produced during aqueous dissolution of silicate and borosilicate glasses are among the most complex structures to understand at the atomic level due to their amorphous nature, random porosity and various levels of hydration. In this study, we gained insights of the complex atomic structures of altered aluminoborosilicate glasses by combining a range of experimental and computational approaches. The altered glasses were prepared by dissolution of three glasses with varying level of alumina in acid for 7 days. A comprehensive set of experimental [elemental analysis, high-energy X-ray diffraction, 29 Si and 27 Al solid-state nuclear magnetic resonance (NMR), and O 1s X-ray photoelectron spectroscopy (XPS)] and modeling (molecular dynamics (MD) simulations using non-reactive and reactive force fields) were used to study the atomic structures of these altered glasses. Elemental analysis showed that most of the B in the pristine glasses was leached into the solution and was not contained in the altered glass. The 29 Si and 27 Al solid-state NMR spectra revealed that the altered glasses have more polymerized silicate network as compared to those in the pristine glasses due to the reformation of linkages among Si and Al oxygen polyhedral in the altered glasses. The bridging and non-bridging (or hydroxyl O) atoms in the altered glasses were also quantified from their O 1s XPS spectra. Atomic structure models of the altered glasses were constructed by using MD simulations using the reactive force field based on the compositional information obtained from experiments. Various pore structures were generated using the charge-scaling (CS) method by using different initial densities and CS temperatures; the best CS parameters of each alternated glass were then determined by comparing with the experimental structure factors obtained from high energy X-ray diffraction. Pore and the atomic structures and vibrational properties around these pore surfaces were analyzed. Furthermore, these results from this comprehensive study thus provides a realistic insight into the pore morphology, atomic structure, and vibrational properties of altered glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Polytypism in semi-disordered lizardite and amesite by low-dose HAADF-STEM

Serpentine minerals exert important controls on the physical properties of ultramafic rocks and have the potential to influence deformation phenomena in fault zones and to control the release of water in subducted slabs. Sheet serpentine generally, and lizardite and amesite specifically, can adopt alternative crystallographic stacking arrangements called polytypes. Polytypism has been extensively studied in fully ordered crystals, but it remains largely enigmatic in the more common semi-disordered crystals that in long-range analyses such as X-ray diffraction only exhibit random combinations of 0b and ±1/3b interlayer shifts. To date, atomic-resolution imaging to identify locally ordered polytypes has been precluded by the beam-sensitive nature of this hydrous magnesium silicate mineral. Here, in this study, we employed low-dose high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) to study the polytypic structure of semi-disordered lizardite and amesite. Because the electron dose was as low as ~6000 e–/Å 2 , it was possible to directly resolve oxygen atomic columns and all the cations with a resolution of ~1 Å and reveal the short-range order. For lizardite, we identified long-period non-standard polytypes, including examples with 3, 4, 8, and 9 layers stemming from the ordering of the octahedral tilt along the a-axis. For amesite, we found short-range ordered polytypes with periodicities of up to 42 Å stemming from the ordering of interlayer shifts along the b-axis. The resolution was sufficient to determine the relative abundance of 6R 2 , 6R 1 , 2H 1 , and 2H 2 polytypes in amesite to be 46.1, 29.6, 7.7, and 1.9%, respectively. This is contrary to the expectation that the most common form of amesite is the 2H 2 polytype, which may be more likely to form macroscopic crystals suitable for conventional X-ray diffraction-based studies. We conclude that HAADF-STEM methods open the way for the characterization of beam-sensitive minerals and to resolve the structural details of less well-ordered (but possibly more abundant) minerals at a unit-cell scale.

58 GEOSCIENCES↗

NASA NTRS1998

Repair of clustered DNA damage caused by high LET radiation in human fibroblasts

It has recently been demonstrated experimentally that DNA damage induced by high LET radiation in mammalian cells is non-randomly distributed along the DNA molecule in the form of clusters of various sizes. The sizes of such clusters range from a few base-pairs to at least 200 kilobase-pairs. The high biological efficiency of high LET radiation for induction of relevant biological endpoints is probably a consequence of this clustering, although the exact mechanisms by which the clustering affects the biological outcome is not known. We discuss here results for induction and repair of base damage, single-strand breaks and double-strand breaks for low and high LET radiations. These results are discussed in the context of clustering. Of particular interest is to determine how clustering at different scales affects overall rejoining and fidelity of rejoining of DNA double-strand breaks. However, existing methods for measuring repair of DNA strand breaks are unable to resolve breaks that are close together in a cluster. This causes problems in interpretation of current results from high LET radiation and will require new methods to be developed.

NASA Discipline Radiation Health↗