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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Directivity Modes of Earthquake Populations with Unsupervised Learning

We present a novel approach for resolving modes of rupture directivity in large populations of earthquakes. A seismic spectral decomposition technique is used to first produce relative measurements of radiated energy for earthquakes in a spatially compact cluster. The azimuthal distribution of energy for each earthquake is then assumed to result from one of several distinct modes of rupture propagation. Rather than fitting a kinematic rupture model to determine the most likely mode of rupture propagation, we instead treat the modes as latent variables and learn them with a Gaussian mixture model. The mixture model simultaneously determines the number of events that best identify with each mode. The technique is demonstrated on four datasets in California, each with compact clusters of several thousand earthquakes with comparable slip mechanisms. We show that the datasets naturally decompose into distinct rupture propagation modes that correspond to different rupture directions, and the fault plane is unambiguously identified for all cases. We find that these small earthquakes exhibit unilateral ruptures 63–73% of the time on average. Here, the results provide important observational constraints on the physics of earthquakes and faults.

58 GEOSCIENCES↗
DOE OSTI2024

High pressure suppression of plasticity due to an overabundance of shear embryo formation

Abstract High pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical activation. While shear banding is known to occur in a variety of these materials, the governing dynamics of the mechanisms are not well defined for molecular crystals. We conduct molecular dynamics simulations of shock wave induced shear band formation in the energetic material 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) to assess shear band nucleation processes. We find, that at high pressures, the initial formation sites for shear bands, “embryos”, form in excess and rapidly lower deviatoric stresses prior to shear band formation and growth. This results in the suppression of plastic deformation. A local cluster analysis is used to quantify and contrast this mechanism with a more typical shear banding seen at lower pressures. These results demonstrate a mechanism that is reversible in nature and that supersedes shear band formation at increased pressures. We anticipate that these results will have a broad impact on the modeling and development of high-strain rate application materials such as those for high explosives and hypersonic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structured interactions drive abrupt transitions in the spatial organization of microbial communities

Bacteria possess diverse mechanisms to regulate their motility in response to environmental and physiological signals, enabling them to navigate complex habitats and adapt their behavior. Some of these mechanisms are species specific and enable cells to modulate their movement based on the ecological identity of neighboring species. Here, we introduce a model in which bacteria interact via local signals that either enhance or suppress the motility of neighboring cells depending on species type. Through large-scale simulations and a coarse-grained stochastic model, we demonstrate the emergence of a sharp transition driven by nucleation processes: increasing the density of motility-suppressing interactions drives the system from a fully mixed, motile phase to a state characterized by large, stationary bacterial clusters. Remarkably, in systems with a large number of interacting species, this transition can be triggered solely by altering the structure of the motility-regulation interaction matrix while maintaining species and interaction densities constant. In particular, we find that heterogeneous and modular interactions promote the transition more readily than homogeneous random ones. These findings add a dimension to the theory of motility-induced phase separation and contribute to the ongoing effort to understand microbial interactions, suggesting that structured, nonrandom ones may be key to reproducing commonly observed spatial patterns in microbial communities.

bacterial communities↗
DOE OSTI2025

Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

To uncover the critical mechanisms responsible for mesoscopic level development during flow-mediated crystal growth, we develop a semi-two-way hydrodynamic coupled structural phase-field crystal formalism (HXPFC-s2). The new formalism, inspired by previous attempts at coupling hydrodynamic and phase-field crystal (PFC) equations, allows for studying mesoscopic flow-mediated crystallization at diffusive timescales pertinent to industrial applications. Unlike previous efforts, the devised coupling to the structural PFC (XPFC) equations allows generalization to more complex crystal structures through explicit parameterization of the direct correlation function (DCF). Utilizing the HXPFC-s2 formalism, we seek to uncover the determinant physical mechanisms in crystallization under simple shear flows by comparing temperature-driven crystallization to flow-mediated crystallization under varying flow-strengths. Parallels and deviations of under-cooling and flow-strength effects on crystal growth are drawn using the crystal cluster-size and system ordering time evolutions. In doing so, we identify scaling behaviors with a Peclet-like number, Pe∼, a critical Peclet-like number, Pe∼*, and flow-field-crystal plane-dependent interactions. Our findings may be relevant for controlling crystal growth and phase behaviors in flow applications.

Willis, L. Connor (ORCID:0009000961321848)↗
DOE OSTI2024

Structural mechanisms for VMAT2 inhibition by tetrabenazine

The vesicular monoamine transporter 2 (VMAT2) is a proton-dependent antiporter responsible for loading monoamine neurotransmitters into synaptic vesicles. Dysregulation of VMAT2 can lead to several neuropsychiatric disorders including Parkinson’s disease and schizophrenia. Furthermore, drugs such as amphetamine and MDMA are known to act on VMAT2, exemplifying its role in the mechanisms of actions for drugs of abuse. Despite VMAT2’s importance, there remains a critical lack of mechanistic understanding, largely driven by a lack of structural information. Here, we report a 3.1 Å resolution cryo-electron microscopy (cryo-EM) structure of VMAT2 complexed with tetrabenazine (TBZ), a non-competitive inhibitor used in the treatment of Huntington’s chorea. We find TBZ interacts with residues in a central binding site, locking VMAT2 in an occluded conformation and providing a mechanistic basis for non-competitive inhibition. We further identify residues critical for cytosolic and lumenal gating, including a cluster of hydrophobic residues which are involved in a lumenal gating strategy. Our structure also highlights three distinct polar networks that may determine VMAT2 conformational dynamics and play a role in proton transduction. The structure elucidates mechanisms of VMAT2 inhibition and transport, providing insights into VMAT2 architecture, function, and the design of small-molecule therapeutics.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

An improved reconstruction method for cosmological density fields

This paper proposes some improvements to existing reconstruction methods for recovering the initial linear density and velocity fields of the universe from the present large-scale density distribution. We derive the Eulerian continuity equation in the Zel'dovich approximation and show that, by applying this equation, we can trace the evolution of the gravitational potential of the universe more exactly than is possible with previous approaches based on the Zel'dovich-Bernoulli equation. The improved reconstruction method is tested using N-body simulations. When the Zel'dovich-Bernoulli equation describes the formation of filaments, then the Zel'dovich continuity equation also follows the clustering of clumps inside the filaments. Our reconstruction method recovers the true initial gravitational potential with an rms error about 3 times smaller than previous methods. We examine the recovery of the initial distribution of Fourier components and find the scale at which the recovered phases are scrambled with respect their true initial values. Integrating the Zel'dovich continuity equation back in time, we can improve the spatial resolution of the reconstruction by a factor of about 2.

Gramann, Mirt↗
NASA NTRS2011

The SPASE Data Model for Heliophysics Data: Is it Working?

The Space Physics Archive Search and Extract (SPASE) Data Model was developed to provide a metadata standard for describing Heliophysics (Space and Solar Physics) data within that science discipline. The SPASE Data Model has matured over the many years of its creation and is presently represented by Version 2.2.1. Information about SPASE can be obtained from the website group.org. The Data Model defines terms and values as well as the relationships between them in order to describe the data resources in the Heliophysics data environment. This data environment is quite complex, consisting of Virtual Observatories, Resident Archives, Data Providers, Partnering Data Centers, Services, Final Archives, and a Deep Archive. SPASE is the metadata language standard intended to permeate the complexity and provide a common method of obtaining and understanding data. Is it working in this capacity? SPASE has been used to describe a wide range of data. Examples range from ground-based magnetometer data to interplanetary satellite measurements to space weather model results. Has it achieved the goal of making the data easier to find and use? To find data of interest it is necessary that all the data of importance be described using the SPASE Data Model. Within the part of the data community associated with NASA (supported through NASA funding) there are obligations to use SPASE and (0 describe the old and new data using the SPASE XML schema. Although this pan of the community is not near 100% compliance with the mandate, there is good progress being made and the goal should be reachable in the future. Outside of the NASA data community there is still work to be done to convince the international community that SPASE descriptions are w011h the cost of their generation. Some of these groups such as Cluster, HELlO, GAIA, NOAA/NGDe. CSSDP, VSTO, SuperMAG, and IUGONET have agreed to use SPASE. but there are still other groups of importance that need (0 be reached. It is also assumed that the terminology is sufficiently broad and the descriptions are sufficiently complete that researchers needing data of a specific type or from a specific period can find and acquire what they need. A valid SPASE description can be very brief or very thorough depending on the willingness of the author to spend the time necessary to make the description useful. There is evidence that users are finding what they need through the SPASE descriptions, and this standard is a big step forward in Heliophysics data location. Does SPASE make it easier to use the data once they are found,) Thorough descriptions of data using SPASE can describe the data down to the level of individual parameters and exactly how the data are organized and stored. Should the SPASE data descriptions be written in such a way that they can be automatically ingested and understood by software tools'? Heliophysics instruments are becoming morc versatile all the time and the complexity of the data makes it tedious and time consuming to write SPASE descriptions with this level of sophistication even with the improvement of the tools used to generate the descriptions. Is it better to just write human-readable descriptions of the data at the parameter level or to refer to references that provide this information? This is a debate that is presently taking place and software is being developed to test what is possible.

Thieman, James↗
DOE OSTI2023

Late growth of early-type galaxies in low-z massive clusters

ABSTRACT We study a sample of 936 early-type galaxies (ETGs) located in 48 low-z regular galaxy clusters with M200 ≥ 1014 M⊙ at z < 0.1. We examine variations in the concentration index, radius, and colour gradient of ETGs as a function of their stellar mass and loci in the projected phase space (PPS) of the clusters. We aim to understand the environmental influence on the growth of ETGs according to the time since infall into their host clusters. Our analysis indicates a significant change in the behaviour of the concentration index C and colour gradient around $M_{\ast } \approx 2\times 10^{11} ~M_\odot \equiv \tilde{M}_{\ast }$. Objects less massive than $\tilde{M}_{\ast }$ present a slight growth of C with M*, with negative and approximately constant colour gradients in all regions of the PPS. Objects more massive than $\tilde{M}_{\ast }$ present a slight decrease of C with M*, with colour gradients becoming less negative and approaching zero. We also find that objects more massive than $\tilde{M}_{\ast }$, in all PPS regions, have smaller R90 for a given R50, suggesting a smaller external growth in these objects or even a shrinkage possibly due to tidal stripping. Finally, we estimate different dark matter fractions for galaxies in different regions of the PPS, with the ancient satellites having the largest fractions, fDM ≈ 65 per cent. These results favour a scenario where cluster ETGs experience environmental influence the longer they remain and the deeper into the gravitational potential they lie, indicating a combination of tidal stripping + harassment, which predominate during infall, followed by mergers + feedback effects affecting the late growth of ancient satellites and BCGs.

Astronomy & Astrophysics↗
DOE OSTI2022

Cluster environment quenches the star formation of low-mass satellite galaxies from the inside-out

ABSTRACT Environment plays a critical role in the star formation history of galaxies. Tidal and hydrodynamical stripping, prominent in cluster environment, can remove the peripheral gas of galaxies and star formation may thus be environmentally suppressed from the outside-in. We revisit the environmental dependence of the radial gradient of specific star formation rate (sSFR) profile. We probe the radial gradient by using the archival spectral indices D4000n and HδA measured from SDSS fibre spectra, to indicate central sSFR and the total sSFR from fitting the spectral energy distribution. Despite the low spatial resolution, the wealth of SDSS data allows to disentangle the dependences on stellar mass, sSFR, and environment. We find that low-mass satellite galaxies in the mass range $9\lt \mathrm{log}\, \mathcal {M}_{\star }/\mathcal {M}_{\odot }\lt 9.8$ on average quench in more inside-out pattern compared to isolated galaxies matched in mass, sSFR, and fibre coverage. This environmental effect is particularly strong for galaxies below the star formation main sequence, and peaks for those in the core of massive clusters where the phase-space diagram reveals clear links between the inside-out quenching and orbital properties. Our results suggest that both tidal and hydrodynamical interactions in cluster environment suppress the star formation of satellites mainly from the inside-out. As accreted gas of low angular momentum from hot gas haloes is an important source for replenishing central gas reservoir, we discuss how gas stripping in clusters may lead to starvation and cause inside-out quenching when the outer star-forming discs are not significantly affected.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The physical origin of dark energy constraints from rubin observatory and CMB-S4 lensing tomography

ABSTRACT We seek to clarify the origin of constraints on the dark energy equation of state parameter from CMB lensing tomography, that is the combination of galaxy clustering and the cross-correlation of galaxies with CMB lensing in a number of redshift bins. We focus on the analytic understanding of the origin of the constraints. Dark energy information in these data arises from the influence of three primary relationships: distance as a function of redshift (geometry), the amplitude of the power spectrum as a function of redshift (growth), and the power spectrum as a function of wavenumber (shape). We find that the effects from geometry and growth play a significant role and partially cancel each other out, while the shape effect is unimportant. We also show that Dark Energy Task Force figure of merit forecasts from the combination of LSST galaxies and CMB-S4 lensing are comparable to the forecasts from cosmic shear in the absence of the CMB lensing map, thus providing an important independent check. Compared to the forecasts with the LSST galaxies alone, combining CMB lensing and LSST clustering information increases the FoM by roughly a factor of 3–4 in the optimistic scenario where systematics are fully under control. We caution that achieving these forecasts will likely require a full analysis of higher-order biasing, photometric redshift uncertainties, and stringent control of other systematic limitations, which are outside the scope of this work, whose primary purpose is to elucidate the physical origin of the constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spectroscopic quantification of projection effects in the SDSS redMaPPer galaxy cluster catalogue

ABSTRACT Projection effects, whereby galaxies along the line of sight to a galaxy cluster are mistakenly associated with the cluster halo, present a significant challenge for optical cluster cosmology. We use statistically representative spectral coverage of luminous galaxies to investigate how projection effects impact the low-redshift limit of the Sloan Digital Sky Survey (SDSS) redMaPPer galaxy cluster catalogue. Spectroscopic redshifts enable us to differentiate true cluster members from false positives and determine the fraction of candidate cluster members viewed in projection. Our main results can be summarized as follows: first, we show that a simple double-Gaussian model can be used to describe the distribution of line-of-sight velocities in the redMaPPer sample; secondly, the incidence of projection effects is substantial, accounting for ∼16 per cent of the weighted richness for the lowest richness objects; thirdly, projection effects are a strong function of richness, with the contribution in the highest richness bin being several times smaller than for low-richness objects; fourthly, our measurement has a similar amplitude to state-of-the-art models, but finds a steeper dependence of projection effects on richness than these models; and fifthly, the slope of the observed velocity dispersion–richness relation, corrected for projection effects, implies an approximately linear relationship between the true, three-dimensional halo mass and three-dimensional richness. Our results provide a robust, empirical description of the impact of projection effects on the SDSS redMaPPer cluster sample and exemplify the synergies between optical imaging and spectroscopic data for studies of galaxy cluster astrophysics and cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Healing of nanocracks by collision cascades in nickel

We use molecular dynamics simulations to investigate the interaction between collision cascades and pre-existing nano-cracks in nickel (Ni). We find that collision cascades cause the cracks to heal whenever a cascade initiates a thermal spike whose core overlaps with the crack. Moreover, crack healing affects the distribution of radiation-induced defects generated during a collision cascade: defect clusters, such as dislocations and stacking fault tetrahedra, dominate in the presence of crack healing, while isolated point defects dominate in its absence. Furthermore, this work indicates that irradiation may reduce the number of pre-existing crack-like flaws in metallic components, potentially improving their mechanical resilience.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ab initio calculations of scattering and fusion reactions

We review recent advancements achieved within the ab initio no-core shell model with continuum (NCSMC), a unified first-principle (or, ab initio) approach to nuclear bound and continuum states. We highlight its application to reactions of astrophysical interests, including the 7 Be(p, γ) 8 B solar fusion and α-α scattering, and to the structure of the exotic 12 Be nucleus. Furthermore, our findings provide a solid foundation for integrating ab initio calculations with experimental measurements, allowing for more precise evaluations of key thermonuclear reaction rates at astrophysical energies, and offer new insights into the factors that contribute to the emergence of clustering.

Quaglioni, Sofia [Lawrence Livermore National Labo↗
DOE OSTI2022

Discovery of peculiar radio morphologies with ASKAP using unsupervised machine learning

Abstract We present a set of peculiar radio sources detected using an unsupervised machine learning method. We use data from the Australian Square Kilometre Array Pathfinder (ASKAP) telescope to train a self-organizing map (SOM). The radio maps from three ASKAP surveys, Evolutionary Map of Universe pilot survey (EMU-PS), Deep Investigation of Neutral Gas Origins pilot survey (DINGO), and Survey With ASKAP of GAMA-09 + X-ray (SWAG-X), are used to search for the rarest or unknown radio morphologies. We use an extension of the SOM algorithm that implements rotation and flipping invariance on astronomical sources. The SOM is trained using the images of all ‘complex’ radio sources in the EMU-PS which we define as all sources catalogued as ‘multi-component’. The trained SOM is then used to estimate a similarity score for complex sources in all surveys. We select 0.5% of the sources that are most complex according to the similarity metric and visually examine them to find the rarest radio morphologies. Among these, we find two new odd radio circle (ORC) candidates and five other peculiar morphologies. We discuss multiwavelength properties and the optical/infrared counterparts of selected peculiar sources. In addition, we present examples of conventional radio morphologies including: diffuse emission from galaxy clusters, and resolved, bent-tailed, and FR-I and FR-II type radio galaxies. We discuss the overdense environment that may be the reason behind the circular shape of ORC candidates.

Astronomy & Astrophysics↗
DOE OSTI2023

Applying Magnetic Curvature to MMS Data to Identify Thin Current Sheets Relative to Tail Reconnection

Thin current sheets (TCSs) have been postulated to be a necessary precondition for reconnection onset. Magnetic reconnection X-lines in the magnetotail have been observed to be more common duskward of midnight. We take advantage of the MMS tetrahedral formation during the 2017–2020 MMS tail seasons to calculate the thickness of the cross-tail neutral sheet relative to ion gyroradius. While a similar technique was applied to Cluster data, current sheet thickness over a broader range of radial distances has not been robustly explored before this study. We compare our analysis to recent theories regarding mechanisms of tail current sheet thinning and to recent simulations. We find MMS spent more than twice as long in ion-scale TCSs in the pre-midnight sector than post-midnight, despite nearly even plasma sheet dwell time. The dawn-dusk asymmetry in the distribution of Ion Diffusion Regions, as previously reported in relation to regions of TCSs, is also analyzed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Analysis of intraspecies diversity reveals a subset of highly variable plant immune receptors and predicts their binding sites

The evolution of recognition specificities by the immune system depends on the generation of receptor diversity and on connecting the binding of new antigens with the initiation of downstream signaling. In plant immunity, the innate Nucleotide-Binding Leucine-Rich Repeat (NLR) receptor family enables antigen binding and immune signaling. In this study, we surveyed the NLR complements of 62 ecotypes of Arabidopsis thaliana and 54 lines of Brachypodium distachyon and identified a limited number of NLR subfamilies that show high allelic diversity. We show that the predicted specificity-determining residues cluster on the surfaces of Leucine-Rich Repeat domains, but the locations of the clusters vary among NLR subfamilies. By comparing NLR phylogeny, allelic diversity, and known functions of the Arabidopsis NLRs, we formulate a hypothesis for the emergence of direct and indirect pathogen-sensing receptors and of the autoimmune NLRs. These findings reveal the recurring patterns of evolution of innate immunity and can inform NLR engineering efforts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Variational approaches to constructing the many-body nuclear ground state for quantum computing

Here, we explore the preparation of specific nuclear states on gate-based quantum hardware using variational algorithms. Large-scale classical diagonalizations of the nuclear shell model have reached sizes of 10 9 –10 10 basis states but are still severely limited by computational resources. Quantum computing can, in principle, solve such systems exactly with exponentially fewer resources than classical computing. Exact solutions for large systems require many qubits and large gate depth, but variational approaches can effectively limit the required gate depth. We use the unitary coupled cluster approach to construct approximations of the ground-state vectors, later to be used in dynamics calculations. The testing ground is the phenomenological shell model space, which allows us to mimic the complexity of the internucleon interactions. We find that often one needs to minimize over a large number of parameters, using a large number of entanglements that makes the application on existing hardware challenging. Prospects for rapid improvements with more capable hardware are, however, very encouraging.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Non-Gaussian estimates of tensions in cosmological parameters

We discuss how to efficiently and reliably estimate the level of agreement and disagreement on parameter determinations from different experiments, fully taking into account non-Gaussianities in the parameter posteriors. We develop two families of scalable algorithms that allow us to perform this type of calculations in increasing number of dimensions and for different levels of tensions. One family of algorithms rely on kernel density estimates of posterior distributions while the other relies on machine learning modeling of the posterior distribution with normalizing flows. We showcase their effectiveness and accuracy with a set of benchmark examples and find both methods agree with each other and the true tension within 0.5σ in difficult cases and generally to 0.2σ or better. This allows us to study the level of internal agreement between different measurements of the clustering of cosmological structures from the Dark Energy Survey and their agreement with measurements of the Cosmic Microwave Background from the Planck satellite.

79 ASTRONOMY AND ASTROPHYSICS↗