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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Factors Controlling Electrochemistry-Induced Deposition of a Zeolitic Imidazolate Framework-8 Film on Underlying Substrates

This paper discusses factors controlling electrochemistry-induced deposition of a zeolitic imidazolate framework-8 (ZIF-8) film on a planar substrate that is placed under an electrode. This method, which was recently demonstrated by us [T. Ito, et al. Cryst. Growth Des., 23, 6369 (2023)], provides a simple means to form a ZIF-8 film having lateral dimensions replicating those of a working electrode on an underlying substrate. We reported the effects of applied cathodic potential, electrode–substrate distance, and deposition time on the film formation, and proposed a mechanism involving cathodic base generation at a working electrode that promoted ligand deprotonation to form intermediate species, followed by their diffusion toward an underlying substrate. Here, we discuss details on the deposition mechanism by investigating the influences of other factors on the film deposition. We have investigated the effects of precursor concentration on film formation, and clarified that O 2 is a probase, rather than H 2 O. We have also shown the influences of substrate surface properties controlled by self-assembled monolayers on film thickness and morphology. Most notably, we successfully demonstrated the formation of microscale ZIF-8 films using an ultramicroelectrode, revealing the applicability of the electrochemistry-induced method for micropatterned film deposition on an underlying substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2026

MnRhBi3: A Cleavable Antiferromagnetic Metal

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (Chem. Mater. 2024, 36, 11306-11316). The calculations characterize MnRhBi3, an orthorhombic (Cmmm) van der Waals-layered intermetallic compound that cleaves easily between neighboring Bi layers. The dataset is organized into three calculation types: (i) Bulk: Structural relaxations of the periodic MnRhBi3 crystal in antiferromagnetic (AFM) and ferromagnetic (FM) configurations, using the vdW-DF-optB86b functional. These provide the equilibrium lattice constants, magnetic energy differences (AFM is 0.5 meV/f.u. lower than FM), and magnetic moments (4.4 µB/Mn, 0.17 µB/Rh, 0.18 µB/Bi) reported in Table 1 of the main text. (ii) Slab: Same magnetic configurations computed with an 18 Ang vacuum layer introduced between Bi layers, used to calculate the cleavage energy Ec = 0.56 J/m2 (AFM) and 0.57 J/m2 (FM), establishing MnRhBi3 as a van der Waals-layered material comparable to graphite, MoS2, and CrI3. (iii) ELF: Single-point calculation on the relaxed bulk AFM geometry with LELF=.TRUE., producing the ELFCAR file used to generate electron localization function isosurfaces and contour maps (Fig. 2, main text) showing Bi lone pairs directed into the van der Waals gaps. All folders contain CONTCAR, INCAR, KPOINTS, OUTCAR, and POSCAR. The ELF/ folder additionally contains ELFCAR. Calculations were performed using VASP 6.3.2 with PBE + vdW-DF-optB86b, PAW potentials, and an energy cutoff of 800 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Animal movement estimation and network-based epidemic modeling: Illustration for the swine industry in Iowa (US)

Animal movement plays a critical role in disease transmission between farms. However, in the United States, the lack of available animal shipment data, sometimes coupled with a lack of detailed information about farm demographics and characteristics, presents great challenges for epidemic modeling and prediction. In this study, we proposed a new method based on the maximum entropy to generate “synthetic” animal movement networks, considering available statistics about the premises operation type, operation size, and the distance between premises. We illustrated our method for the swine movement networks in Iowa and performed network analyses to gain insights into the swine industry. We then applied the generated networks to a network-based epidemic model to identify potential system vulnerabilities in terms of disease transmission. The model was parameterized for African Swine Fever (ASF) as the US swine industry is quite concerned about this disease. Results show that premises with a central role in the network are more vulnerable to disease outbreaks and play an important role in disease spread. Simulations with outbreaks starting from random farms reveal no significant large outbreaks, indicating the system’s relative robustness against arbitrary disease introductions. However, outbreaks originating from high out-degree farms can lead to large epidemic sizes. This underscores the importance for stakeholders and policymakers to continue improving animal movement records and traceability programs in the US and the value of making that data available to epidemiologists and modelers to better understand risk and inform strategies aimed to cost-effectively prevent and control disease transmission. Our approach could be easily adapted to estimate movement networks in other animal production systems and to inform disease spread models for various infectious diseases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Wellington2-32-core

Data from the Wellington 2-32 well described in Schmitt, R.; Paronish, T.; Crandall, D.; Moore, J.; Hasiuk, F.; Potter, N.; Holubnyak, Y. E. Computed Tomography Scanning and Petrophysical Measurements of the Wellington KGS 2-32 Core; DOE/NETL-2022/2874; NETL Technical Report Series; U.S. Department of Energy, National Energy Technology Laboratory: Morgantown, WV, 2022; p 61. DOI: 10.2172/182XXX99

Carbon Storage↗
DOE OSTI2025

Hydrodynamic characterization of the redox chemistry of crown-encapsulated uranyl complexes

The redox properties of actinide-containing species strongly influence their reactivity, speciation, and interfacial behavior, but the experimental quantification of the electrochemical characteristics of molecular actinide complexes in nonaqueous media has not received the attention it deserves. Here, results from hydrodynamic methods and electrochemical simulations of U(VI)/U(V) redox are reported, including quantification of heterogeneous electron-transfer kinetics and estimation of chemical reversibility of U(VI)/U(V) interconversion at electrodes in acetonitrile-based electrolyte. The complexes investigated are recently reported U(VI) and U(V) complexes in which the uranyl ion (UO 2 n+ ) is encapsulated in a macrocyclic 18-crown-6-like moiety templated by a Pt(II) center. These complexes feature the most positive value U VI /U V reduction potential yet reported and are thus particularly relevant to study of facile U(V) generation from U(VI) precursors as well as uranium electroanalysis. Rotating disk electrode (RDE) studies have been used to quantify the diffusion coefficients of the U(VI) and U(V) complexes, and standard heterogeneous electron transfer rate constants ( k 0 ) for the redox have been determined using a conventional Koutecký-Levich analysis. Rotating ring-disk electrode (RRDE) studies have been used to directly interrogate the chemical reversibility of U(VI)-U(V) interconversion, confirming that reduction of the U(VI) complex at an Au disk is associated with formation of the U(V) analogue that can be readily re-oxidized at a Pt ring under hydrodynamic (rotating) conditions. Because measurements of the type reported here are generally associated with current flows that are larger than those found in corresponding quiescent (unstirred) conditions, our findings suggest that hydrodynamic methods could be advantageous for design of electroanalytical approaches to detection of actinide species and study of their redox properties.

actinides↗
DOE OSTI2026

Deep Search for Joint Sources of Gravitational Waves and High-energy Neutrinos with IceCube during the Third Observing Run of LIGO and Virgo

The discovery of joint sources of high-energy neutrinos and gravitational waves has been a primary target for the LIGO, Virgo, KAGRA, and IceCube observatories. The joint detection of high-energy neutrinos and gravitational waves would provide insight into cosmic processes, from the dynamics of compact object mergers and stellar collapses to the mechanisms driving relativistic outflows. The joint detection of multiple cosmic messengers can also elevate the significance of the common observation even when some or all of the constituent messengers are subthreshold, i.e., not significant enough to declare their detection individually. Using data from the LIGO, Virgo, and IceCube observatories, including subthreshold events, we searched for common sources of gravitational waves and high-energy neutrinos during the third observing run of the Advanced LIGO and Advanced Virgo detectors. Our search did not identify significant joint sources. We derive constraints on the rate densities of joint sources. Our results constrain the isotropic neutrino emission from gravitational-wave sources for very high values of the total energy emitted in neutrinos (>10 52 –10 54 erg).

Abbasi, R. [Loyola University Chicago] (ORCID:0000↗
DOE OSTI2025

Identifying synoptic controls on boundary layer thermodynamic and cloud properties in a regional forecast model

Although most of our understanding of boundary layer cloudiness is based on idealized, subtropical, barotropic marine environments, boundary layer clouds exist across a range of conditions. In this study, we use the Naval Research Laboratory's Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS) and an automated cold-front-relative analysis framework to explore the boundary layer structure associated with low clouds across a transect through the cold front of a midlatitude synoptic cyclone. The model credibly captures boundary layer structure in line with conceptual models of midlatitude cyclones and ground-based observations at Graciosa Island in the Azores. The warm sector is conditionally unstable, with clouds that are too shallow and with too little liquid water, compared to cloud property retrievals from satellite and surface-based instruments. The cold-frontal region exhibits convection associated with weak stability and ascent. Northwest of the cold front, the boundary layer is well mixed, deeper, and capped by a strong inversion maintained by large-scale subsidence. Simulated clouds in frontal and post-frontal regions are mostly too thick, with too much liquid water and too little cloud base drizzle. The post-frontal clouds are associated with grid-scale updrafts, which appear to be the model's attempt to represent mesoscale organization of cellular convection typically observed in the cold sector of midlatitude cyclones. The deep, well-mixed post-frontal boundary layers and cloudiness are maintained by strong surface fluxes, as in cold air outbreaks. Our analysis framework serves as a unique approach to model verification, and our results offer insights into differences in boundary layer cloud behavior between subtropical and synoptic cold-sector regimes.

Eissner, Jordan M. [Univ. of Kansas, Lawrence, KS ↗
DOE OSTI2025

DROP DURABILITY ASSESSMENT OF ELECTRONIC ASSEMBLIES UNDER OFF-AXIS LOADING WITH SKEWED FIXTURES

This thesis studies drop durability of electronic assemblies when the acceleration vector is oriented at 45° to the out-of-plane direction of the circuit card. The off-axis drop tests are accomplished with a skewed fixture and are conducted as a proxy for multiaxial drop testing. Advanced shock testing and vibration test methods have been developed over the last few decades to better represent real-world field environments during ground-based laboratory testing. However, many of these test methods require expensive and specialized equipment not available in most laboratories. An alternative approach for approximating simultaneous loading along multiple axes on conventional equipment utilizes skewed fixtures which have seen use in off-axis random vibration and drop impact testing. These methods generally rely on the conversion of a uniaxial input load from the test equipment (using a uniaxial drop tower or shaker) into a multiaxial load when resolved in the reference frame of the test article (mounted on a skewed fixture). Skewed fixture design is presented and recommendations for conducting skewed angle drop testing are introduced based on local measurements along the skewed face of the fixture to accurately monitor the impact event. Characterization tests were performed with a skewed fixture, at simultaneous acceleration loads from 500 to 3,000 g in two (in-plane and out-of-plane) directions, while meeting standard time domain tolerances. Upon experimental characterization, drop shock durability tests were conducted on a printed circuit assembly (PCA). Mean drops-to-failure were measured and quantified with Weibull statistics. Dominant solder joint failure modes were identified via failure analysis. Prior work on inclined angle impact testing is limited, and the majority of solder joint interconnect level fatigue studies are conducted considering perpendicular loading normal the circuit card. Low-cycle fatigue curves are generated based on plastic strain and plastic work density within the solder joint. A multiscale nonlinear finite element model is used to relate board-level flexure to solder joint interconnect level plastic strain. A high strain rate solder constitutive model allows for accurate modeling of solder plasticity resulting from high-impact drop shock. Fatigue parameters are computed from the Coffin-Manson relation and Palmgren-Miner damage accumulation. This work serves to apply established low-cycle fatigue methods for conventional drop shock loading (impact normal to circuit card) to non-perpendicular loading with a skewed fixture.

Hower, Jonathan [Kansas City National Security Cam↗
DOE OSTI2025

PROCESS-STRUCTURE-PROPERTY RELATIONSHIPS IN LASER POWDER BED FUSION PRODUCED 17-4 PH STEEL

Laser powder bed fusion (LPBF) is a metal additive manufacturing method that produces non-traditional microstructures as a result of the rapid solidification and thermal cycling inherent to the process. When using LPBF-produced material in application, these unique microstructures challenge the applicability of well developed mechanical property databases achieved by conventional heat treatments. For wider adoption of this technology, a more holistic understanding is necessary on how process attributes develop material structure, which dictate mechanical properties. This dissertation explores the process– structure–property relationships in LPBF 17-4 PH steel through systematic evaluation of atmospheric processing and heat treatment effects on microstructure and mechanical performance. Specimens were fabricated under controlled build environments, subjected to a range of solutionizing, homogenizing, and aging treatments, and characterized using optical microscopy, electron back scatter diffraction (EBSD), and X-ray diffraction (XRD) to quantify phase evolution. Tensile testing was performed to directly link heat treatment pathway and nitrogen absorption to mechanical performance. This work demonstrates where conventional heat treatment standards are applicable to LPBF 17-4 PH steel and where modifications are required. By directly correlating phase stability, nitrogen effects, and tensile response, this work provides practical guidelines for tailoring post-processing strategies. These findings underscore that successful application of LPBF 17-4 PH steel requires explicit consideration of both build environment and post-processing. By linking processing conditions to microstructure and performance, this work advances understanding of critical variables that govern reliability of additively manufactured precipitation-hardened stainless steels in demanding applications.

Brown, Benjamin [Kansas City National Security Cam↗
DOE OSTI2026

Machine Learning on Heterogeneous, Edge, and Quantum Hardware for Particle Physics (ML-HEQUPP)

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for scientific discovery demands real-time inference and decision-making, intelligent data reduction, and efficient processing architectures beyond current capabilities. Crucial to the success of this experimental paradigm are several emerging technologies, such as artificial intelligence and machine learning (AI/ML) and silicon microelectronics, and the advent of quantum algorithms and processing. Their intersection includes areas of research such as low-power and low-latency devices for edge computing, heterogeneous accelerator systems, reconfigurable hardware, novel codesign and synthesis strategies, readout for cryogenic or high-radiation environments, and analog computing. This white paper presents a community-driven vision to identify and prioritize research and development opportunities in hardware-based ML systems and corresponding physics applications, contributing towards a successful transition to the new data frontier of fundamental science.

Gonski, Julia [SLAC]↗
DOE OSTI2026

Measuring local primordial non-Gaussianity from the clustering of DESI DR1 LRGs and QSOs

We report the first measurement of primordial non-Gaussianity (PNG), parameterized by $f_{\mathrm{NL}}$, in the configuration space two-point correlation function (2pcf). We employ simulation based modeling and a novel approach for the mitigation of imaging systematics. We apply this method to samples of luminous red galaxies (LRG) and quasars (QSO) observed by the Dark Energy Spectroscopic Instrument (DESI) during the first year of its observations (DR1). The observed 68% CL interval on $f_{\mathrm{NL}}$ is $-3^{+22}_{-21}$ using LRGs, and $ 0^{+17}_{-16}$ using QSOs. The joint measurement yields $f_{\mathrm{NL}} = -3^{+12}_{-12}$ at $\ [68\%]$ CL. Our pipeline imposes a Gaussian prior on the value of $p$ (which defines the PNG bias via the Universality relation), with $p_{\rm LRG} = 1.0 \pm 0.1$ and $p_{\rm QSO} = 1.6\pm 0.1$. The observed constraining power of DESI tracers significantly exceeds that of previous large-scale structure (LSS) surveys, and encouragingly, approaches the sensitivity of CMB probes of PNG.

Brown, Z. [Kansas State U.]↗
DOE OSTI2026

Probing the matter-dominated expansion with multi-redshift Lyman-$α$ BAO from DESI DR2

We present a multi-redshift Baryon Acoustic Oscillations (BAO) analysis of the DESI Data Release 2 (DR2) Lyman-$α$ (Ly$α$) forest, splitting the forest auto-correlation and its cross-correlation with quasars into three redshift bins. We obtain BAO measurements at effective redshifts $z_{\rm eff} = 2.13$, $2.40$, and $2.81$ with $\sim2.0$--$2.5\%$ precision per bin in the radial and transverse directions, corresponding to $\sim1.1$--$1.2\%$ precision for the isotropic BAO measurement. Using the same data products and modeling framework as the DESI DR2 Ly$α$ BAO analysis, we validate the pipeline on $400$ synthetic datasets and find unbiased BAO recovery with well-calibrated uncertainties. The measurements show an increase in the isotropic dilation parameter $D_V/r_d$ from $30.26\pm0.39$ to $32.22\pm0.47$ and in the Alcock-Paczyński parameter $D_M/D_H$ from $3.96\pm0.15$ to $5.63^{+0.22}_{-0.24}$. The Hubble distance $D_H/r_d$ decreases from $9.40\pm0.20$ to $7.22\pm0.17$, providing a direct measurement of the expansion history consistent with $Λ$CDM and the expected matter-dominated scaling, with $H(z)\propto(1+z)^n$ giving $n=1.34\pm0.16$. The redshift split also provides a self-consistent measurement of clustering evolution: the Ly$α$ forest bias evolves as $(1+z)^γ$ with $γ_α=3.05\pm0.16$, the RSD parameter has a redshift evolution described by $γ_β=-0.97\pm0.26$, and the quasar bias evolves with $γ_Q=1.56\pm0.23$, consistent with independent quasar clustering measurements. Combining these three-bin BAO measurements with DESI DR2 galaxy and quasar BAO measurements yields cosmological constraints consistent with the single-bin Ly$α$ BAO analysis in flat $Λ$CDM and $w_0w_a$CDM and improves curvature constraints by $\sim12\%$ in $Λ$CDM$+Ω_\mathrm{K}$.

Herrera-Alcantar, Hiram K. [Paris, Inst. Astrophys↗