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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Sempervirens: A Fast Reconstruction Algorithm for Noisy and Incomplete Binary Matrix Representations of Trees

Applications such as reconstructing cell lineage trees (represented as phylogenetic trees) from single-cell sequencing data require reconstructing a {0,1}-matrix that has many errors and missing entries. We introduce Sempervirens, a very fast matrix reconstruction algorithm for noisy and incomplete matrix representations of phylogenetic trees. Sempervirens uses an iterative maximum-likelihood approach to determine the topology tree represented by the corrupted data. We show that Sempervirens is at least three orders of magnitude faster than other methods on thousand by thousand matrices, with the speed gap widening with larger matrices. We also show that Sempervirens matches state-of-the-art methods in reconstruction accuracy. The speed of Sempervirens enables it to be tractably applied to reconstructing much larger matrices than those that other methods can reconstruct. In addition to experimental results, we justify the algorithm with a mathematical treatment of its subprocedures.

algorithms↗
DOE OSTI2024

Dynamic Binary Complexes (DBC) as Super-Adjustable Viscosity Modifiers for Hydraulic Fracturing Fluids

In the preceding project year two, we refined three DBC formulations from a selection of over 50 different chemistries. The optimization study primarily encompassed testing for (i) reversibility extent, (ii) performance in the presence of chemical additives, (iii) adhesion and friction behavior during displacement in wellbores and pipelines, (iv) corrosion protection performance, and (v) injection performance with model fracture systems at the laboratory scale. Highly promising results obtained from all these tests signify the significant potential of DBCs in enhancing hydrocarbon recovery from unconventional reservoirs. The primary activities in the third project year included publishing experimental findings across multiple articles and conducting outreach initiatives. Throughout the year, we undertook tasks such as replicating experimental results, further optimizing various formulations and their associated experimental sets, and conducting additional tests to address missing components based on reviewer feedback and suggestions. We also explored the surfactant and friction-reduction aspects of selected formulations through drag reduction tests. In addition, we constructed an improved fracturing performance setup and performed flow injection tests. The specific DBC formulations focused on during this project period were A8/B1, A12/B5, and A10/B12. We also obtained results for additional DBC formulations and a select few commercial fracturing fluids for the purpose of comparison. Within the project's scope, we aim to enhance the experimental findings with the development of various models. The first two years focused on two key aspects: (i) the creation of a high-fidelity hydraulic fracturing model for non-Newtonian fluids to gain insights into the implementation of DBC fluids in fracking environments, and (ii) the development of a multiphase flow simulator for estimating total production, fluid saturation in the reservoir, and the creation of a fracture propagation model and kinetic Monte Carlo (kMC) models for diverse applications. In the third year, we delved into the fundamental nanostructural properties of DBCs, exploring aspects such as material chemistry, pH tunability, and control of DBC formation and stability. Subsequently, in the extension year, we conducted a systematic investigation of various building blocks containing primary, secondary, and tertiary amine functional groups to understand their impact on rheological and viscoelastic properties. Furthermore, we explored a Dissipative Particle Dynamics (DPD) model to simulate self-assembly processes with precision, creating a high-fidelity representation of relevant nanostructures. The tasks performed this year with the significant results obtained have been discussed in Section 2.

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

Controlled Reaction Dynamics of Binary Hexafluorides to Explore New Chemical Signatures

Uranium hexafluoride (UF6 ) is a key compound in the nuclear fuel cycle. • Many enrichment technologies utilize UF6 due to its advantageous properties: • Fluorine (F) has only one isotope of major abundance. • UF6 is a solid at room temperature but has a high (~70 torr) vapor pressure. • There is significant knowledge regarding the chemical processing of UF6 . • UF6 readily hydrolyzes when released to the atmosphere. • Despite significant advances in UF6 processing, the fundamental chemistry governing reaction with UF6 is still poorly understood.

Dorris, Austin L. [Savannah River National Laborat↗
DOE OSTI2025

Deformation mechanisms of nanotwinned Al and binary Al alloys

The objective of this proposal is to investigate, at a fundamental level, the deformation mechanisms of nanotwinned (NT) Al alloys with high density twin boundaries (TBs) and stacking faults (SFs). Nanotwinned metals with low stacking fault energy (SFE), such as Cu and Ag, have shown outstanding strength and tensile ductility. Twin boundaries play a critical role to enhance the strength and work hardening ability of these metals and alloys, and thus lead to significant plasticity. Al alloys have ultra-high stacking fault energy, and thus are often considered to be nearly free from growth twins and SFs. However, our recent studies show that a significant number of nanotwins and 9R phase can be introduced in Al and certain Al alloys, and lead to high flow stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Controlled Reaction Dynamics of Binary Hexafluorides to Explore New Chemical Signatures

Conclusions • Successfully halted the UF6 hydrolysis reaction and trapped intermediate complexes • Simple alcohol instead of water leads to shifting of bands in UF6 likely from change in matrix effects • MoF6 reaction shows some potential for methyl group being present in structure of intermediates • Future work with bulkier R-groups will hopefully reveal further information as to the reaction pathway and intermediate structure via kinetics and peak shifting

Dorris, Austin L. [Savannah River National Laborat↗
DOE OSTI2024

Iron Bonding with Light Elements: Implications for Planetary Cores Beyond the Binary System

Light element alloying in iron is required to explain density deficit and seismic wave velocities in Earth’s core. However, the light element composition of the Earth’s core seems hard to constrain as nearly all light element alloying would reduce the density and sound velocity (elastic moduli). The alloying light elements include oxidizing elements like oxygen and sulfur and reducing elements like hydrogen and carbon, yet their chemical effects in the alloy system are less discussed. Moreover, Fe-X-ray Absorption Near Edge Structure (Fe-XANES) fingerprints have been studied for silicate materials with ferrous and ferric ions, while not many X-ray absorption spectroscopy (XAS) studies have focused on iron alloys, especially at high pressures. To investigate the bonding nature of iron alloys in planetary interiors, we presented X-ray absorption spectroscopy of iron–nitrogen and iron–carbon alloys at high pressures up to 50 GPa. Together with existing literature on iron–carbon, –hydrogen alloys, we analyzed their edge positions and found no significant difference in the degree of oxidation among these alloys. Pressure effects on edge positions were also found negligible. Our theoretical simulation of the valence state of iron, alloyed with S, C, O, N, and P also showed nearly unchanged behavior under pressures up to 300 GPa. This finding indicates that the high pressure bonding of iron alloyed with light elements closely resembles bonding at the ambient conditions. We suggest that the chemical properties of light elements constrain which ones can coexist within iron alloys.

Advanced Photon Source↗
DOE OSTI2024

Emergence of Microphysical Bulk Viscosity in Binary Neutron Star Postmerger Dynamics

Abstract In nuclear matter in isolated neutron stars, the flavor content (e.g., proton fraction) is subject to weak interactions, establishing flavor ( β -)equilibrium. However, there can be deviations from this equilibrium during the merger of two neutron stars. We study the resulting out-of-equilibrium dynamics during the collision by incorporating direct and modified Urca processes (in the neutrino-transparent regime) into general-relativistic hydrodynamics simulations with a simplified neutrino transport scheme. We demonstrate how weak-interaction-driven bulk viscosity in postmerger simulations can emerge and assess the bulk viscous dynamics of the resulting flow. We further place limits on the impact of the postmerger gravitational-wave strain. Our results show that weak-interaction-driven bulk viscosity can potentially lead to a phase shift of the postmerger gravitational-wave spectrum, although the effect is currently on the same level as the numerical errors of our simulation.

Astronomy & Astrophysics↗
DOE OSTI2026

Cosmic Pairs: A DESI Census of Dual and Offset AGN as Precursors to Massive Black Hole Binaries

We present a systematic census of dual and offset active galactic nuclei (AGN) using spectroscopic data from the first data release (DR1) of the Dark Energy Spectroscopic Instrument (DESI). After correcting for observational systematics, our final sample contains $>7,000$ dual AGN and 27,000 galaxy pairs containing one AGN over the redshift range $0 \lesssim z \lesssim 3.6$. This sample expands the known dual AGN sample by $\sim 1-2$ orders of magnitude at $0.2 \lesssim z \lesssim 0.4$, includes $\sim 50$ dwarf dual AGN candidates in a regime where only a handful were previously known, and triples the census at $z>2$. Dual AGN are preferentially found at small separations, consistent with merger-driven triggering of AGN activity. The two members of a pair differ in their star formation response: the more massive (primary) host changes little with separation, while the less massive (secondary) lies $\sim 0.3$ dex above matched inactive and one-AGN companions at the same projected separation in main-sequence offset. Using ASTRID simulations, we predict that the fraction of DESI dual AGN whose central black holes will merge by $z \sim 0$ increases with redshift, reaching $\sim 76\%$ by $z \sim 2$, while the fraction producing LISA-detectable mergers peaks at $\sim 37\%$ near $z \sim 0.9$. These results provide the largest uniformly selected spectroscopic sample of kpc-scale dual and offset AGN candidates from a single survey, connecting their host-galaxy and AGN demographics to the progenitor population of massive black hole mergers detectable by LISA.

Dadiani, Ekaterine [Carnegie Mellon U.] (ORCID:000↗
DOE OSTI2025

Two-Step Procedure to Detect Cosmological Gravitational Wave Backgrounds with Next-Generation Terrestrial Gravitational-Wave Detectors

Cosmological gravitational-wave backgrounds are an exciting science target for next-generation ground-based detectors, as they encode invaluable information about the primordial Universe. However, any such background is expected to be obscured by the astrophysical foreground from compact-binary coalescences. We propose a novel framework to detect a cosmological gravitational-wave background in the presence of binary black holes and binary neutron star signals with next-generation ground-based detectors, including Cosmic Explorer and the Einstein Telescope. Our procedure involves first removing all the individually resolved binary black hole signals by notching them out in the time-frequency domain. Then, we perform joint Bayesian inference on the individually resolved binary neutron star signals, the unresolved binary neutron star foreground, and the cosmological background. For a flat cosmological background, we find that we can claim detection at 5⁢𝜎 level when Ω ref ≥ 2.7 × 10 −12 /$\sqrt{𝑇_{obs}/yr}$, where 𝑇 obs is the observation time (in years), which is within a factor of ≲ 2 from the sensitivity reached in the absence of these astrophysical foregrounds.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Magnetically Arrested Circumbinary Accretion Flows

Abstract Binary systems with comparable masses and a surrounding accretion disk can accrete gas through spiral accretion streams penetrating the central cavity formed by tidal interactions. Using three-dimensional Newtonian magnetohydrodynamics simulations, we investigate the possibility of a magnetically arrested accretion flow through the cavity. Rather than solely continuously feeding the binary through spiral accretion streams, the accretion is regulated by the strong magnetic field inside the cavity. Transport of mass and angular momentum onto the binary then proceeds largely periodically in magnetic flux eruption episodes. The ejected flux tubes carry angular momentum outward and away from the binary, inject hot plasma into the disk, and can launch flares. This likely intermittent scenario could have potential implications for the emission signatures of supermassive black hole binaries and shed light onto the role magnetic fields play in the binary’s orbital evolution.

Astronomy & Astrophysics↗