Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “cluster finding”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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

At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spin‐State and Clustering Effects in Fe‐Complex Negolytes for Near‐Neutral Aqueous Redox Flow Batteries

Cost-effective redox-active materials are essential for advancing redox flow batteries (RFBs). Iron, with its abundance and suitability as a redox couple, is a promising candidate; however, achieving stable and fast redox reactions in aqueous RFBs remains a challenge. Here, this study presents an Fe-based negolyte stabilized by a hexadentate ligand, where Fe–ligand bonds are enhanced through intermolecular interactions. The sulfonate-substituted Fe complex exhibits a formal potential of −0.44 V versus Ag/AgCl and an exceptionally high rate constant of 0.69 cm s −1 . Near-neutral RFBs incorporating 0.5 M Fe complex show excellent cycling stability, with no discernible capacity fading over 300 cycles. This performance is attributed to intermolecular hydrogen bonds that reinforce Fe–ligand coordination and promote the formation of stable trimeric clusters. Operando electrochemical Raman spectroscopy and density functional theory reveal that π-backdonation from Fe(II) to the imino-phenolate moiety further stabilizes the complex after reduction. In contrast, the hydroxyl-substituted complex exhibits inferior stability due to weaker hydrogen bonding and less pronounced π-backdonation. These findings underscore the importance of ligand design and intermolecular interactions in developing cost-effective, high-performance redox-active materials for aqueous RFBs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Development of Future Heatwaves for Different Hazard Thresholds

In 2018 and 2019, heatwaves set all-time temperature records around the world and caused adverse effects on human health, agriculture, natural ecosystems, and infrastructure. Often, severe impacts relate to the joint spatial and temporal extent of the heatwaves, but most research so far focuses either on spatial or temporal attributes of heatwaves. Furthermore, sensitivity of heatwaves characteristics to the choice of the heatwave thresholds in a warming climate are rarely discussed. Here, we analyze the largest spatiotemporal moderate heatwaves—that is, three-dimensional (space-time) clusters of hot days—in simulations of global climate models. We use three different hazard thresholds to define a hot day: fixed thresholds (time-invariant climatological thresholds), seasonally moving thresholds based on changes in the summer means, and fully moving thresholds (hot days defined relative to the future climatology). We find a substantial increase of spatiotemporally contiguous moderate heatwaves with global warming using fixed thresholds, whereas changes for the other two hazard thresholds are much less pronounced. In particular, no or very little changes in the overall magnitude, spatial extent, and duration are detected when heatwaves are defined relative to the future climatology using a temporally fully moving threshold. This suggests a dominant contribution of thermodynamic compared to dynamic effects in global climate model simulations. The similarity between seasonally moving and fully moving thresholds indicates that seasonal mean warming alone can explain large parts of the warming of extremes. The strong sensitivity of simulated future heatwaves to hazard thresholds should be considered in the projections of potential future heat-related impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Pore‐Scale Modeling of Reactive Transport with Coupled Mineral Dissolution and Precipitation

Abstract We present a new pore‐scale model for multicomponent advective‐diffusive transport with coupled mineral dissolution and precipitation. Both dissolution and precipitation are captured simultaneously by introducing a phase transformation vector field representing the direction and magnitude of the overall phase change. An effective viscosity model is adopted in simulating fluid flow during mineral dissolution‐precipitation that can accurately capture the velocity field without introducing any empirical parameters. The proposed approach is validated against analytical solutions and interface tracking simulations in simplified structures. After validation, the proposed approach is employed in modeling realistic rocks where mineral dissolution and precipitation are dominant at different locations. We have identified three regimes for mineral dissolution‐precipitation coupling: (a) compact dissolution‐precipitation where dissolution is dominant near the inlet and precipitation is dominant near the outlet, (b) wormhole dissolution with clustered precipitation where dissolution generates wormholes in the main flow paths and precipitation clogs the secondary flow paths, and (c) dissolution dominant where all solid grains are gradually dissolved. In the three regimes, the proposed approach provides reliable porosity‐permeability relationships that cannot be described well by traditional macroscale models. We find that the permeability can increase while the overall porosity decreases when the main flow paths are expanded by dissolution and adjacent pore spaces are clogged by precipitation.

58 GEOSCIENCES↗
DOE OSTI2021

Geometry versus growth: Internal consistency of the flat ΛCDM model with KiDS-1000

Here, we carry out a multi-probe self-consistency test of the flat Lambda Cold Dark Matter (ΛCDM) model with the aim of exploring potential causes of the reported tensions between high- and low-redshift cosmological observations. We divide the model into two theory regimes determined by the smooth background (geometry) and the evolution of matter density fluctuations (growth), each governed by an independent set of ΛCDM cosmological parameters. This extended model is constrained by a combination of weak gravitational lensing measurements from the Kilo-Degree Survey, galaxy clustering signatures extracted from Sloan Digital Sky Survey campaigns and the Six-Degree Field Galaxy Survey, and the angular baryon acoustic scale and the primordial scalar fluctuation power spectrum measured in Planck cosmic microwave background (CMB) data. For both the weak lensing data set individually and the combined probes, we find strong consistency between the geometry and growth parameters, as well as with the posterior of standard ΛCDM analysis. In the non-split analysis, for which one single set of parameters was used, tension in the amplitude of matter density fluctuations as measured by the parameter S 8 persists at around 3σ, with a 1.5% constraint of S 8 = 0.776$_{–0.008}^{+0.016}$ for the combined probes. We also observe a less significant preference (at least 2σ) for higher values of the Hubble constant, H 0 = 70.5$_{–1.5}^{+0.7}$ km s –1 Mpc –1 , as well as for lower values of the total matter density parameter Ω m = 0.289$_{–0.005}^{+0.007}$ compared to the full Planck analysis. Including the subset of the CMB information in the probe combination enhances these differences rather than alleviate them, which we link to the discrepancy between low and high multipoles in Planck data. Our geometry versus growth analysis does not yet yield clear signs regarding whether the origin of the discrepancies lies in ΛCDM structure growth or expansion history but holds promise as an insightful test for forthcoming, more powerful data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Universality class for loopless invasion percolation models and a percolation avalanche burst model for hydraulic fracturing

Invasion percolation is a model that was originally proposed to describe growing networks of fractures. In this work, we describe a loopless algorithm on random lattices, coupled with an avalanche-based model for bursts. The model reproduces the characteristic b-value seismicity and spatial distribution of bursts consistent with earthquakes resulting from hydraulic fracturing (“fracking”). We test models for both site invasion percolation and bond invasion percolation. These have differences on the scale of site and bond lengths l. But since the networks are characterized by their large-scale behavior, l << L, we find small differences between scaling exponents. Though data may not differentiate between models, our results suggest that both models belong to different universality classes.

58 GEOSCIENCES↗
DOE OSTI2025

Global Archaeal Diversity Revealed Through Massive Data Integration: Uncovering Just Tip of Iceberg

The domain of Archaea has gathered significant interest for its ecological and biotechnological potential and its role in helping us to understand the evolutionary history of Eukaryotes. In comparison to the bacterial domain, the number of adequately described members in Archaea is relatively low, with less than 1000 species described. It is not clear whether this is solely due to the cultivation difficulty of its members or, indeed, the domain is characterized by evolutionary constraints that keep the number of species relatively low. Based on molecular evidence that bypasses the difficulties of formal cultivation and characterization, several novel clades have been proposed, enabling insights into their metabolism and physiology. Given the extent of global sampling and sequencing efforts, it is now possible and meaningful to question the magnitude of global archaeal diversity based on molecular evidence. To do so, we extracted all sequences classified as Archaea from 500 thousand amplicon samples available in public repositories. After processing through our highly conservative pipeline, we named this comprehensive resource the ‘Global Archaea Diversity’ (GAD), which encompassed nearly 3 million molecular species clusters at 97% similarity, and organized it into over 500 thousand genera and nearly 100 thousand families. Saline environments have contributed the most to the novel taxa of this previously unseen diversity. The majority of those 16S rRNA gene sequence fragments were verified by matches in metagenomic datasets from IMG/M. These findings reveal a vast and previously overlooked diversity within the Archaea, offering insights into their ecological roles and evolutionary importance while establishing a foundation for the future study and characterization of this intriguing domain of life.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

KELT-25 b and KELT-26 b: A Hot Jupiter and a Substellar Companion Transiting Young A Stars Observed by TESS

We present the discoveries of KELT-25 b (TIC 65412605, TOI-626.01) and KELT-26 b (TIC 160708862, TOI-1337.01), two transiting companions orbiting relatively bright, early A stars. The transit signals were initially detected by the KELT survey and subsequently confirmed by Transiting Exoplanet Survey Satellite (TESS) photometry. KELT-25 b is on a 4.40 day orbit around the V = 9.66 star CD-24 5016 (T{sub eff}=8280{sub -180}{sup +440} K, M&lowast; = 2.18{sub -0.11}{sup +0.12} M{sub ⊙}), while KELT-26 b is on a 3.34 day orbit around the V = 9.95 star HD 134004 (T{sub eff} = 8640{sub -240}{sup +500} K, M&lowast; = 1.93{sub -0.16}{sup +0.14} M{sub ⊙}), which is likely an Am star. We have confirmed the substellar nature of both companions through detailed characterization of each system using ground-based and TESS photometry, radial velocity measurements, Doppler tomography, and high-resolution imaging. For KELT-25, we determine a companion radius of R{sub P} = 1.64{sub -0.043}{sup +0.039} R{sub J} and a 3σ upper limit on the companion’s mass of ~64 M{sub J}. For KELT-26 b, we infer a planetary mass and radius of M{sub P} = 1.41{sub -0.51}{sup +0.43} M{sub J} and R{sub P} = 1.94{sub -0.058}{sup +0.060} R{sub J}. From Doppler tomographic observations, we find KELT-26 b to reside in a highly misaligned orbit. This conclusion is weakly corroborated by a subtle asymmetry in the transit light curve from the TESS data. KELT-25 b appears to be in a well-aligned, prograde orbit, and the system is likely a member of the cluster Theia 449.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The DESI DR1 Peculiar Velocity Survey: The Tully-Fisher Distance Catalog

We calibrate the Tully-Fisher relation (TFR) using observations of spiral galaxies taken during the first year (DR1) of the DESI galaxy redshift survey. The rotational velocities of 10,262 galaxies are measured at 0.4 R26 by comparing the redshifts at 0.4 R26 with those at the galaxy centers of spatially-resolved galaxies targeted as part of the DESI Peculiar Velocity Survey. The DESI DR1 TFR slope is calibrated by separating the spiral galaxies into redshift bins of width dz = 0.005 from 0.03 < z < 0.1 and jointly fitting the TFR across all bins. We find a slope of -7.22+/-0.01 AB mag in the r-band for the TFR, with an intrinsic scatter of 0.466+/-0.001 AB mag. We present a catalog of the distances and peculiar velocities to these 10,262 galaxies using our calibrated TFR. For cosmological analyses, we also present a clustering catalog and associated random catalogs using a subset of 6807 of the DESI DR1 TF galaxies.

Douglass, K. [Rochester U.] (ORCID:000000029540546↗
DOE OSTI2023

Final-state interactions and spin structure in E 1 breakup of Li 11 in halo effective field theory

In this work, we calculate the E1 breakup of the 2n halo nucleus 11 Li in halo effective field theory (Halo EFT) at leading order. In Halo EFT, 11 Li is treated as a three-body system of a 9 Li core and two neutrons. We present a detailed investigation of final-state interactions (FSIs) in the neutron-neutron (nn) and neutron-core (nc) channels. We employ Møller operators to formulate an expansion scheme that satisfies the non-energy-weighted cluster sum rule and successively includes higher-order terms in the multiple-scattering series for the FSI. Computing the E1 strength up to third order in this scheme, we observe apparent convergence and good agreement with experiment. The neutron-neutron FSI is by far the most important contribution and largely determines the maximum value of the E1 distribution. However, inclusion of nc FSI does shift the peak position to slightly lower energies. Moreover, we investigate the sensitivity of the E1 response to the spin structure of the neutron- 9 Li interaction. We contrast results for an interaction that is the same in the spin-1 and spin-2 channels with one that is only operative in the spin-2 channel, and find that good agreement with experimental data is only obtained if the interaction is present in both spin channels. The latter case is shown to be equivalent to a calculation in which the spin of 9 Li is neglected.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Identification of a Na + -Binding Site near the Oxygen-Evolving Complex of Spinach Photosystem II

The oxygen-evolving complex (OEC) of photosystem II (PSII) is an oxomanganese cluster composed of four redox-active Mn ions, and one redox-inactive Ca 2+ ion, with two nearby bound Cl – ions. Sodium is a common counter-ion of both chloride and hydroxide anions, and a sodium-specific binding site has not been identified near the OEC. Furthermore, we find that the oxygen-evolution activity of spinach PSII increases with [Na + ], particularly at high pH. A Na + -specific binding site next to the OEC, upon deprotonation of the D1-H337 amino-acid residue, is suggested by the analysis of two recently published PSII cryo-EM maps in combination with quantum mechanical calculations and molecular dynamics simulations.

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

Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo

We introduce a black-box auxiliary field quantum Monte Carlo (AFQMC) approach to perform highly accurate electronic structure calculations using configuration interaction singles and doubles (CISD) trial states. This method consistently provides more accurate energy estimates than coupled cluster singles and doubles with perturbative triples (CCSD(T)), often regarded as the gold standard in quantum chemistry. This level of precision is achieved at a lower asymptotic computational cost, scaling as O(N 6 ) compared to the O(N 7 ) scaling of CCSD(T). Furthermore, we provide numerical evidence supporting these findings through results for challenging main group and transition metal-containing molecules.

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

Precise transcript targeting by CRISPR-Csm complexes

Robust and precise transcript targeting in mammalian cells remains a difficult challenge using existing approaches due to inefficiency, imprecision and subcellular compartmentalization. Here we show that the clustered regularly interspaced short palindromic repeats (CRISPR)-Csm complex, a multiprotein effector from type III CRISPR immune systems in prokaryotes, provides surgical RNA ablation of both nuclear and cytoplasmic transcripts. As part of the most widely occurring CRISPR adaptive immune pathway, CRISPR-Csm uses a programmable RNA-guided mechanism to find and degrade target RNA molecules without inducing indiscriminate trans-cleavage of cellular RNAs, giving it an important advantage over the CRISPR-Cas13 family of enzymes. Using single-vector delivery of the Streptococcus thermophilus Csm complex, we observe high-efficiency RNA knockdown (90–99%) and minimal off-target effects in human cells, outperforming existing technologies including short hairpin RNA- and Cas13-mediated knockdown. We also find that catalytically inactivated Csm achieves specific and durable RNA binding, a property we harness for live-cell RNA imaging. These results establish the feasibility and efficacy of multiprotein CRISPR-Cas effector complexes as RNA-targeting tools in eukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Spin and charge density waves in quasi-one-dimensional KMn 6 Bi 5

The recent observation that pressure could suppress antiferromagnetic (AFM) order in quasi-one-dimensional AMn 6 Bi 5 Mn-cluster chain materials (A=Na, K, Rb, and Cs) and lead to a superconducting dome offers an alternative Mn-based class of materials with which to study unconventional superconductivity. Using neutron diffraction, we elucidate the exact nature of the previously unknown AFM ground state of KMn 6 Bi 5 and report finding transverse incommensurate spin density waves (SDWs) for the Mn atoms with a propagating direction along the chains. The SDWs have distinct refined amplitudes of ~2.46μ B for the Mn atoms in the pentagons and ~0.29μ B with a large standard deviation for Mn atoms at the center between the pentagons. AFM coupling dominates both the nearest-neighbor Mn-Mn interactions within the pentagon and next-nearest-neighbor Mn-Mn interactions out of the pentagon (along the propagating wave). The SDWs exhibit both local and itinerant characteristics potentially due to cooperative interactions between local magnetic exchange and conduction electrons. Single crystal x-ray diffraction below the AFM transition revealed satellite peaks originating from charge density waves along the chain direction with a q vector twice as large as that of the SDW, pointing to a strong real space coupling between them. Additionally, we report a significant magnetoelastic effect during the AFM transition, especially along the chain direction, observed in temperature-dependent x-ray powder diffraction. Our work not only reveals fascinating intertwined spin, charge, and lattice orders in one-dimensional KMn 6 Bi 5 , but also provides an essential piece of information on its magnetic structure to understand the mechanism of superconductivity in this Mn-based family.

1-dimensional systems↗
DOE OSTI2022

Angular-momentum projection in coupled-cluster theory: Structure of 34 Mg

Single- reference coupled-cluster theory is an accurate and affordable computational method for the nuclear many-body problem. For open-shell nuclei, the reference state typically breaks rotational invariance and angular momentum must be restored as a good quantum number. We perform angular-momentum projection after variation and employ the disentangled coupled-cluster formalism and a Hermitian approach. We compare our results with benchmarks for 8 Be and 20 Ne using a two-nucleon interaction from chiral effective field theory and for pf-shell nuclei within the traditional shell model. We compute the rotational band in the exotic nucleus 34 Mg and find agreement with data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Holo-Omics disentangle drought response and biotic interactions among plant, endophyte and pathogen

Holo-omics provide a novel opportunity to study the interactions among fungi from different functional guilds in host plants in field conditions. We address the entangled responses of plant pathogenic and endophytic fungi associated with sorghum when droughted through the assembly of the most abundant fungal, endophyte genome from rhizospheric metagenomic sequences followed by a comparison of its metatranscriptome with the host plant metabolome and transcriptome. The rise in relative abundance of endophytic Acremonium persicinum (operational taxonomic unit 5 (OTU5)) in drought co-occurs with a rise in fungal membrane dynamics and plant metabolites, led by ethanolamine, a key phospholipid membrane component. The negative association between endophytic A. persicinum (OTU5) and plant pathogenic fungi co-occurs with a rise in expression of the endophyte's biosynthetic gene clusters coding for secondary compounds. Endophytic A. persicinum (OTU5) and plant pathogenic fungi are negatively associated under preflowering drought but not under postflowering drought, likely a consequence of variation in fungal fitness responses to changes in the availability of water and niche space caused by plant maturation over the growing season. Our findings suggest that the dynamic biotic interactions among host, beneficial and harmful microbiota in a changing environment can be disentangled by a blending of field observation, laboratory validation, holo-omics and ecological modelling.

Chen, Peilin↗
DOE OSTI2021

A Deeper Look at DES Dwarf Galaxy Candidates: Grus i and Indus ii

We present deep g- and r-band Magellan/Megacam photometry of two dwarf galaxy candidates discovered in the Dark Energy Survey (DES), Grus i and Indus ii (DES J2038–4609). For the case of Grus i, we resolved the main sequence turn-off (MSTO) and ~2 mags below it. The MSTO can be seen at g 0 ~24 with a photometric uncertainty of 0.03 mag. We show Grus i to be consistent with an old, metal-poor (~13.3 Gyr, [Fe/H] ~ -1.9) dwarf galaxy. We derive updated distance and structural parameters for Grus i using this deep, uniform, wide-field data set. We find an azimuthally-averaged halflight radius more than two times larger (~151 +21 -31 pc; ~$4\buildrel{\,\prime}\over{.} {16}_{-0.74}^{+0.54}$) and an absolute V-band magnitude ~-4.1 that is ~1 magnitude brighter than previous studies. We obtain updated distance, ellipticity, and centroid parameters that are in agreement with other studies within uncertainties. Although our photometry of Indus ii is ~2–3 magnitudes deeper than the DES Y1 public release, we find no coherent stellar population at its reported location. The original detection was located in an incomplete region of sky in the DES Y2Q1 data set and was flagged due to potential blue horizontal branch member stars. The best-fit isochrone parameters are physically inconsistent with both dwarf galaxies and globular clusters. We conclude that Indus ii is likely a false positive, flagged due to a chance alignment of stars along the line of sight.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

An Extensive Catalog of Early-type Dwarf Galaxies in the Local Universe: Morphology and Environment

We present an extensive catalog of 5405 early-type dwarf (dE) galaxies located in the various environments, i.e., clusters, groups, and fields, of the local universe (z < 0.01). The dEs are selected through visual inspection of the Legacy survey's g–r–z combined tricolor images. The inspected area, covering a total sky area of 7643 deg 2 , encompasses two local clusters (Virgo and Fornax), 265 groups, and the regions around 586 field galaxies of M K < -21 mag. The catalog aims to be one of the most extensive and publicly accessible collections of data on dEs, despite its complex completeness limits, which may not accurately represent its statistical completeness. The strength of the catalog lies in the morphological characteristics, including nucleated, tidal, and ultradiffuse dEs. The two clusters contribute nearly half (2437 out of 5405) of the dEs, and the 265 groups contribute 2103 dEs. There are 864 dEs in 586 fields, i.e., ~1.47 dEs per field. Using a standard definition commonly used in literature, we identify 100 ultradiffuse galaxies (UDGs), which compose ~2% of the dE population. We find that 40% of our sample dEs harbor a central nucleus, and among the UDG population, a majority (79%) are nonnucleated. About 1.3% of dEs suffer from ongoing tidal disturbance by nearby massive galaxies, and only 0.03% show a sign of recent dwarf–dwarf mergers. The association between dEs and their nearest bright neighbor galaxies suggests that dEs are more likely created where their neighbors are non-star-forming ones.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Galaxy Populations in Groups and Clusters: Evidence for a Characteristic Stellar Mass Scale at M * ~ 10 9.5 M ⊙

We use the DR9 of the DESI legacy imaging survey and SDSS galaxy groups to measure the conditional luminosity function (CLF) for groups with halo mass Mh ≥ 10 12 M ⊙ and redshift 0.01 ≤ z ≤ 0.08, down to a limiting r-band magnitude of M r = –10 to –12. For given halo masses we measure the CLF for the total populations and for the red and blue populations classified using the (g – z) color. We find a clear faint-end upturn in the CLF of red satellites, with a slope α ≈ –1.8, which is almost independent of halo mass. This faint-end upturn is not seen for the blue and total populations. Our stellar population synthesis modeling shows that (g – z) provides a clean red/blue division and that red group galaxies defined by (g – z) are all dominated by old stellar populations. The fraction of old galaxies as a function of galaxy luminosity shows a minimum at M r ~ –18, corresponding to M * ~ 10 9.5 M ⊙ . This scale is independent of halo mass and is comparable to the characteristic luminosity at which galaxies show a dichotomy in surface brightness and size, suggesting that the dichotomy in the old fraction and in galaxy structure may have a common origin. The rising of the old fraction at the faint end for Milky Way (MW)–sized halos is in good agreement with the quenched fraction measured for the MW/M31 system and from the ELVES survey. We discuss the implications of our results for the formation and evolution of low-mass galaxies and for the stellar mass functions of low-mass galaxies to be observed at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗