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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The kinetic origin of the fluid helicity—A symmetry in the kinetic phase space

Helicity, a topological degree that measures the winding and linking of vortex lines, is preserved by ideal (barotropic) fluid dynamics. In the context of the Hamiltonian description, the helicity is a Casimir invariant characterizing a foliation of the associated Poisson manifold. Casimir invariants are special invariants that depend on the Poisson bracket, not on the particular choice of the Hamiltonian. The total mass (or particle number) is another Casimir invariant, whose invariance guarantees the mass (particle) conservation (independent of any specific choice of the Hamiltonian). In a kinetic description (e.g., that of the Vlasov equation), the helicity is no longer an invariant (although the total mass remains a Casimir of the Vlasov’s Poisson algebra). The implication is that some “kinetic effect” can violate the constancy of the helicity. To elucidate how the helicity constraint emerges or submerges, we examine the fluid reduction of the Vlasov system; the fluid (macroscopic) system is a “sub-algebra” of the kinetic (microscopic) Vlasov system. In the Vlasov system, the helicity can be conserved if a special helicity symmetry condition holds. To put it another way, breaking helicity symmetry induces a change in the helicity. We delineate the geometrical meaning of helicity symmetry and show that for a special class of flows (the so-called epi-two-dimensional flows), the helicity symmetry is written as ∂γ = 0 for a coordinate γ of the configuration space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

UNH TDP - Concurrent Measurements of Inflow, Power Performance, and Loads for a Grid-Synchronized Vertical Axis Cross-Flow Turbine Operating in a Tidal Estuary

This data was collected between October 12 and December 15 of 2021 at the University of New Hampshire (UNH) and Atlantic Marine Energy Center (AMEC) turbine deployment platform (TDP). This data set includes over 29 days of grid connected turbine operation during this 65 day time frame. The priority for this measurement campaign was to collect data while the turbine was electrically connected to the grid by means of a rectifier and inverter. The Fall_2021_UNH_Measurement_Timeline.png highlights when each instrument was functioning and the Fall_2021_UNH_Test_Log.jpg indicates the four main regions for analysis available from this measurement campaign. The TDP is a floating structure moored on the Portsmouth facing side of Memorial Bridge pier #2, which spans the Piscataqua River between Portsmouth, NH and Kittery, ME. The Piscataqua River connects the Great Bay Estuary to the Gulf of Maine and the river currents are dominated by tidal forcing with water velocities exceeding 2.5 m/s during spring ebb tides at this site which were previously characterized by Kaelin Chancey (Assessment Of The Localized Flow And Tidal Energy Conversion System At An Estuarine Bridge - UNH MS Thesis 2019). The turbine under test was a modified New Energy Corporation (Calgary, CA) model EVG-025 4-blade H-Darrius type vertical axis cross flow turbine that rotates in the clockwise direction with a rotor diameter of 3.2m and blade length of 1.7m. The hydro-foil profile was a NACA 0021 with a 10 inch chord length and a blade preset pitch angle of +4deg with a positive angle corresponding with the toe in direction. The standard EVG-025 has a rotor diameter of 3.4m and its rated power output is 25kW at 3 m/s. The rotor diameter was reduced to accommodate the size of the existing TDP moon-pool. This project was pursued to quantify device performance for cross flow turbines operating in a marine environment. Accurate physical models, to characterize cross flow turbine performance, require real operational data sets due to the complexity of blade fluid interactions. This data can help support model development which will help predict turbine performance when analyzing perspective project locations in the future. Instrumentation was deployed to measure; water speed/direction, electrical power output, turbine shaft speed, turbine thrust force, and platform motion. Concurrent measurements of these parameters allow for correlations (cause and affect) to be inferred, allowing for characterization of device performance over a range of operating conditions. Water currents were measured using Acoustic Doppler Current Profilers (ADCP's) and Acoustic Doppler Velocimeters (ADV's) directly upstream and downstream of the turbine for inflow, wake and turbulence measurements. Electrical power output was measured using the Voltsys rectifier and the Shark power meter. Shaft speed was calculated based on the Voltsys measurements of the permanent magnet three phase generator AC generation frequency, coupled directly to the cross flow turbine under test (i.e., no gear box). Platform motions were captured using a Yost IMU (inertial measurement unit). Turbine thrust loading was measured using a reaction arm about the turbine deployment platform spanning beam, where two bi-directional load cells were connected to the system via a pinned connection. This submission includes zipped folders for each instrument containing quality controlled (QC'd) data in daily .csv files for the relevant duration specific to each instrument, along with separate .csv file that contains the units for each variable. Some instrument daily files are quite large and can pose a challenge for a visual spreadsheet editor to open. A processing software like MATLAB or Python is recommended. Note the degree of QC varied between each instrument due to time constraints. Particular time and attention was given to perform quality control tests on the acoustic based instruments that are particularly suscep...

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

In-Situ Blade Strain Measurements of a Crossflow Turbine Operating in a Tidal Flow

This data was collected between October 25 and December 12 of 2022 at the University of New Hampshire (UNH) and Atlantic Marine Energy Center (AMEC) turbine deployment platform (TDP). The goal was to collect blade strain data from a crossflow turbine operating in a tidal flow. A table in ('Deployment Schedule.PNG') outlines the various dates when each instrument was operational, and more details can be found via literature listed in 'Related Publications'.txt. This dataset includes zipped folders for each instrument containing data in .csv files for the relevant duration specific to each instrument, along with separate README file for each measurement. Some instrument files are quite large and can pose a challenge for a visual spreadsheet editor to open. A processing software like MATLAB or Python is recommended. All data contained in this submission is unfiltered/unprocessed data unless otherwise noted in the README file. Blade strain was measured using 8 foil-based strain gauges along the span of a single turbine blade. Water currents were measured using Acoustic Doppler Current Profilers (ADCP's) and Acoustic Doppler Velocimeters (ADV's) both upstream and downstream of the turbine for inflow, wake and turbulence measurements. Electrical power output was measured using the Voltsys rectifier. Shaft speed was calculated based on the Voltsys measurements of the permanent magnet three phase generator AC generation frequency, coupled directly to the cross flow turbine under test (i.e., no gear box). Platform motions were captured using a Yost IMU (inertial measurement unit). Turbine thrust loading was measured using a reaction arm about the turbine deployment platform spanning beam, where two bi-directional load cells were connected to the system via a pinned connection. The TDP is a floating structure moored on the Portsmouth facing side of Memorial Bridge pier #2, which spans the Piscataqua River between Portsmouth, NH and Kittery, ME. The Piscataqua River connects the Great Bay Estuary to the Gulf of Maine and the river currents are dominated by tidal flow with water velocities exceeding 2.5 m/s during spring ebb tides at this site which were previously characterized by Chancey 2019. The turbine under test was a modified New Energy Corporation (Calgary, CA) model EVG-025 4-blade H-Darrius type vertical axis cross flow turbine that rotates in the clockwise direction with a rotor diameter of 3.2m and blade length of 1.7m. The hydro-foil profile was a NACA 0021 with a 10 inch chord length and a blade preset pitch angle of +4deg with a positive angle corresponding with the toe in direction. The standard EVG-025 has a rotor diameter of 3.4m and its rated power output is 25kW at 3 m/s. The rotor diameter was reduced to accommodate the size of the existing TDP moon-pool. A single blade of this turbine was further modified to accommodate 8 full-bridge strain gauges (Bharath et al 2023, Bichanich et al 2024). For power performance and other relevant details on the turbine and its characteristics, see O'Byrne 2022.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Quantum-enhanced phase imaging without coincidence counting

Quantitative phase imaging provides a way to image transparent objects, such as biological cells, and measure their thickness. We report on a phase-imaging method that achieves twice the phase shift and approximately 1.7 times the spatial resolution of an equivalent spatially and temporally coherent classical quantitative phase-imaging system by using quantum interference between successive spontaneous parametric downconversion events in a nonlinear crystal. Furthermore, our method is approximately 1000 times faster than imaging the parametric downconversion photons in coincidence, which requires measurement times on the order of tens of hours. Our method may be useful for imaging sensitive transparent objects that require low illumination intensities at near-infrared and longer illumination wavelengths, such as photosensitive biological samples.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Tunable spin and valley excitations of correlated insulators in Γ-valley moiré bands

Moiré superlattices formed from transition metal dichalcogenides (TMDs) have been shown to support a variety of quantum electronic phases that are highly tunable using applied electromagnetic fields. While the valley character of the low-energy states dramatically affects optoelectronic properties in the constituent TMDs, this degree of freedom has yet to be fully explored in moiré systems. Here, we establish twisted double bilayer WSe 2 as an experimental platform to study electronic correlations within Γ-valley moiré bands. Through a combination of local and global electronic compressibility measurements, we identify charge-ordered phases at multiple integer and fractional moiré band fillings ν. By measuring the magnetic field dependence of their energy gaps and the chemical potential upon doping, we reveal spin-polarized ground states with novel spin polaron quasiparticle excitations. In addition, an applied displacement field allows us to realize a new mechanism of metal-insulator transition at ν=–1 driven by tuning between Γ- and K-valley moiré bands. Together, our results demonstrate control over both the spin and valley character of the correlated ground and excited states in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Connecting galaxy evolution in clusters with their radial profiles and phase space distribution: results from the IllustrisTNG hydrodynamical simulations

ABSTRACT We study the population of galaxies around galaxy clusters in the hydrodynamic simulation suite IllustrisTNG 300-1 to study the signatures of their evolutionary history on observable properties. We measure the radial number density profile, phase space distribution, and splashback radius for galaxies of different masses and colours over the redshift range z = 0−1. The three primary physical effects which shape the galaxy distribution within clusters are the galaxy quenching, angular momentum distribution, and dynamical friction. We find three distinct populations of galaxies by applying a Gaussian mixture model to their distribution in colour and mass. They have distinct evolutionary histories and leave distinct signatures on their distribution around cluster haloes. We find that low-mass red galaxies show the most concentrated distribution in clusters and the largest splashback radius, while high-mass red galaxies show a less concentrated distribution and a smaller splashback radius. Blue galaxies, which mostly quench into the low-mass red population, have the shallowest distribution within the clusters, with those on radial orbits quenched rapidly before reaching pericentre. Comparison with the distribution of galaxies from the Dark Energy Survey survey around Sunyaev–Zeldovich clusters from the Atacama Cosmology Telescope and South Pole Telescope surveys shows evidence for differences in galaxy evolution between simulations and data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Isotope effects on energy transport in the core of ASDEX-Upgrade tokamak plasmas: Turbulence measurements and model validation

Design and operation of future tokamak fusion reactors using a deuterium–tritium 50:50 mix requires a solid understanding of how energy confinement properties change with ion mass. This study looks at how turbulence and energy transport change in L-mode plasmas in the ASDEX Upgrade tokamak when changing ion species between hydrogen and deuterium. For this purpose, both experimental turbulence measurements and modeling are employed. Local measurements of ion-scale (with wavevector of fluctuations perpendicular to the B-field k⊥< 2 cm−1, k⊥ρs< 0.2, where ρs is the ion sound Larmor radius using the deuterium ion mass) electron temperature fluctuations have been performed in the outer core (normalized toroidal flux ρTor=0.65−0.8) using a multi-channel correlation electron cyclotron emission diagnostic. Lower root mean square perpendicular fluctuation amplitudes and radial correlation lengths have been measured in hydrogen vs deuterium. Measurements of the cross-phase angle between a normal-incidence reflectometer and an ECE signal were made to infer the cross-phase angle between density and temperature fluctuations. The magnitude of the cross-phase angle was found larger (more out-of-phase) in hydrogen than in deuterium. TRANSP power balance simulations show a larger ion heat flux in hydrogen where the electron-ion heat exchange term is found to play an important role. These experimental observations were used as the basis of a validation study of both quasilinear gyrofluid trapped gyro-Landau fluid-SAT2 and nonlinear gyrokinetic GENE codes. Linear solvers indicate that, at long wavelengths (k⊥ρs<1), energy transport in the deuterium discharge is dominated by a mixed ion-temperature-gradient (ITG) and trapped-electron mode turbulence while in hydrogen transport is exclusively and more strongly driven by ITG turbulence. The Ricci validation metric has been used to quantify the agreement between experiments and simulations taking into account both experimental and simulation uncertainties as well as four different observables across different levels of the primacy hierarchy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Absolute colors and phase coefficients of asteroids

Context: We use the phase curves of small bodies to measure absolute magnitudes and, together with complementary theoretical and laboratory results, to understand the micro- and macroscopic properties of their surfaces. Although we can observe asteroids up to phase angles of about 30 deg, the range of phase angles covered by outer Solar System objects usually does not go further than 7-10 deg for centaurs and 2 deg for trans-Neptunian objects, and a linear relation between magnitude and phase angle may be assumed. Aims: We aim to directly compare data taken for objects in the inner Solar System (inside the orbit of Jupiter) with data for centaurs and trans-Neptunian objects. Methods: We use the SLOAN Moving Objects Catalog (MOC) data to construct phase curves restricted to phase angles of less than or equal to 7.5 deg, which is compatible with the angles observed for the trans-Neptunian and Centaur population. We assume a linear model for the photometric behavior to obtain absolute magnitudes and phase coefficients in the ugirz, V, and R filters. Results: We obtain absolute magnitudes in seven filters for over 4000 objects. Our comparison with outer Solar System objects suggests the surfaces have a common property: intrinsically redder objects become blue with increasing phase angle, while the opposite happens for intrinsically bluer objects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Phase transformations and thermal expansion coefficients of unirradiated U-X wt.% Zr (X = 6, 10, 20, 30) measured via neutron diffraction

This work characterizes the crystallographic evolution of unirradiated U-X wt.% Zr (X = 6, 10, 20, 30) while cooling from equilibration, single phase γ-U-Zr, at 900 °C to ambient temperature using time-of-flight neutron diffraction. The β-U phase was unobserved during cooling at 1 °C/min in all alloys. All alloys followed the phase transformation pathway of γ-U-Zr→γ-U-Zr+α-U→α-U +δ-UZr2 with an observed miscibility gap in γ-U-Zr. The α-U and δ-UZr2 transformation took place simultaneously in the U-30 wt.% Zr sample. These findings strengthen the need to re-approach the U-Zr phase diagram in entirety. Bulk volumetric CTEs agree well with published data, strengthening the quantification of lattice-specific CTEs reported in this study. A compositionally dependent discontinuity in thermal expansion, increasing in magnitude with decreasing U content, occurs during the γ-U-Zr→α-U+δ-UZr2 transformation. The γ-U-Zr lattice parameter was measured to have a compositional dependency.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spin reorientations in structurally metastable, disordered, and hexagonal Cr 7 ⁢Te 8

Vapor deposited two-dimensional Cr 7 ⁢Te 8 displays unusual temperature dependent Hall effect properties, including a room-temperature anomalous Hall effect, sign reversals of the Hall resistivity on cooling, and a peak in the Hall resistivity at low temperatures. The two-dimensional Cr 7⁢ Te 8 heterostructures that form the basis of these measurements are hexagonal in structure. We study the magnetic and structural properties of bulk Cr 7 ⁢Te 8 synthesized by quenching from 1000⁢°C with the goal of relating the magnetic, structural, and electronic properties. This quenched phase is metastable, hexagonal, and displays different magnetic properties from the slow-cooled and more thermodynamically stable monoclinic phase. High-resolution x-ray diffraction of the quenched hexagonal phase finds a first-order transition to a lower symmetry monoclinic phase on heating above ∼550 K. Magnetic susceptibility measurements of the quenched hexagonal phase reveal ferromagnetic ordering above room temperature, along with the two distinct transitions at ∼220 K and ∼70 K. Through neutron diffraction studies, we find the ∼220 K anomaly is a spin reorientation transition of the ferromagnetically aligned magnetic moments and the ∼70K feature represents a transition from a high-temperature ferromagnet to a low-temperature antiferromagnet. We suggest that these magnetic transitions are related to changes in the unit-cell dimensions and are connected to the temperature-dependent Hall resisitivity studied in two-dimensional heterostructures. This implies a link between structural, magnetic, and electronic properties in the “pseudo” two-dimensional chromium tellurides.

Chemical synthesis↗
DOE OSTI2023

Measurement-induced entanglement and teleportation on a noisy quantum processor

Measurement has a special role in quantum theory: by collapsing the wavefunction, it can enable phenomena such as teleportation and thereby alter the ‘arrow of time’ that constrains unitary evolution. When integrated in many-body dynamics, measurements can lead to emergent patterns of quantum information in space–time that go beyond the established paradigms for characterizing phases, either in or out of equilibrium. For present-day noisy intermediate-scale quantum (NISQ) processors, the experimental realization of such physics can be problematic because of hardware limitations and the stochastic nature of quantum measurement. Here we address these experimental challenges and study measurement-induced quantum information phases on up to 70 superconducting qubits. By leveraging the interchangeability of space and time, we use a duality mapping to avoid mid-circuit measurement and access different manifestations of the underlying phases, from entanglement scaling to measurement-induced teleportation. We obtain finite-sized signatures of a phase transition with a decoding protocol that correlates the experimental measurement with classical simulation data. The phases display remarkably different sensitivity to noise, and we use this disparity to turn an inherent hardware limitation into a useful diagnostic. Our work demonstrates an approach to realizing measurement-induced physics at scales that are at the limits of current NISQ processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Design of a first-of-A-kind instrumented advanced test reactor irradiation Capsule experiment for In situ thermal conductivity measurements of metallic fuel

Metallic fuel undergoes dramatic microstructural changes early in life due to fission gas swelling until ~2–3 at% burnup which affects the conductivity of the material, however the evolution of metallic fuel thermal conductivity during this early phase burnup has never been successfully measured in situ. The Irradiated Material Properties Accelerated Characterization Test (IMPACT) experiment will be the first in a series of experiments to irradiate advanced nuclear metallic fuel specimens with novel embedded thermal conductivity probes in ATR. In the current work the IMPACT experiment final design and supporting analysis is reported in detail. Results are evaluated for various reactor operational conditions to meet the functional requirements of the experiment. Finally, the first iteration of this IMPACT experiment will provide data regarding thermal properties evolution in uranium-zirconium (U10Zr) fuel, but this experiment vehicle is envisioned for future advanced fuels and structural materials irradiations in ATR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Structure and magnetism of AlCoCrCuFeNi high-entropy alloy

We report on the investigation of magnetic and structural properties of AlCoCrCuFeNi, which is known to crystallize in a dual phase solid solution: the face-centred cubic (FCC) or the body-centred cubic (BCC). The results of neutron (NPD) and synchrotron powder diffraction (SXRD) allow to partially resolve magnetic information coming from BCC and FCC phases, which is impossible in the bulk magnetic measurements. Electron diffraction (PED) revealed that AlCoCrCuFeNi forms dendritic microstructure with the Cu-rich FCC phase and the Ni-rich BCC phase. Lattice parameters obtained from PED method are in good agreement with parameters obtained after refinement on the basis of powder X-ray diffraction measurements. The local crystal and electronic structure around Co was studied using Co K X-ray Absorption Spectroscopy (XAS). The magnetic measurements show that AlCoCrCuFeNi reveal a ferromagnetic transition at about 330K and displays magnetic hysteresis loop at the room temperature. Results from NPD suggest that the magnetic moment is mostly located in the BCC subsystem. The alloy shows soft magnetic properties. Saturated magnetizations (M s ), remanence ratio (M r /M s ) and coercivity (H c ) of the cast are estimated to be 45.10emu/g, 5.1% and 56 Oe at 300K, respectively. Finally, the BCC-FCC phase transformation up to 673K (400°C) was investigated using temperature dependent NPD, where a possible second BCC phase was identified.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of Zr and Sc additions on coarsening- and creep resistance of AlSi10Mg fabricated by laser powder bed fusion

Microstructure and creep properties are studied in a eutectic AlSi10Mg alloy modified with Zr and Sc additions (Al-9.8Si-0.32Mg-0.70Zr-0.23Sc, wt%) manufactured through laser powder-bed fusion (L-PBF). Three types of Zr/Sc-bearing powders - elemental, master-alloy, and pre-alloyed - are employed in the fabrication process, with the pre-alloyed powders providing the highest incorporation of Zr and Sc in the Al matrix. Here, the as-printed alloy exhibits a fine cellular Al-Si eutectic structure which fragments and coarsens into micron-sized Si particles during aging at 300 ºC, leading to a steady drop in alloy microhardness between 0.1 and 1000 h. Coarsening of the eutectic Si phase during aging is not measurably affected by Zr and Sc in solid solution, which precipitate during aging and increases strength, compensating weakening from Si coarsening between 1 and 200 h at 300 ºC. Atom-probe analysis in the peak-aged condition (96 h/300 °C) confirms the presence of Al 3 (Sc,Zr) secondary nano-precipitates with an average radius of 1.0 nm and some Si solubility. Micron-sized grains are present throughout the alloy, with ultra-fine-grained regions at the melt pool boundaries, neither of which coarsen during long-term aging at 300 ºC. Under creep conditions at 300 °C, the Zr/Sc-bearing alloy with Al 3 (Sc,Zr) nano-precipitates exhibits power-law behavior, with a high apparent stress exponent (n a = 9) and a high threshold stress (σ th = 43 MPa), exhibiting nearly double the strength of a Zr/Sc-free AlSi10Mg control alloy (σ th = 22 MPa).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Autoignition behavior of gasoline/ethanol blends at engine-relevant conditions

Ethanol is an attractive oxygenate increasingly used for blending with petroleum-derived gasoline yielding beneficial combustion and emissions behavior for a range of internal combustion engine schemes, including stoichiometric spark-ignition and low temperature combustion (LTC). As such, it is important to fundamentally understand the autoignition behavior of gasoline/ethanol blends. This work utilizes a rapid compression machine (RCM) and a homogeneous charge compression ignition (HCCI) engine to experimentally quantify changes in fuel reactivity, through ignition delay times and preliminary heat release, for blends of 0 to 30% vol./vol. into a full boiling range research gasoline (FACE-F). Diluted/stoichiometric and undiluted/fuel-lean conditions are explored covering a wide range of compressed temperatures and pressures relevant to conventional and advanced, gasoline combustion engines. Detailed chemical kinetic modeling is undertaken using a recently updated gasoline surrogate model in conjunction with a five-component surrogate to model the RCM experiments and provide chemical insight into the perturbative effects of ethanol on the autoignition process. The diluted/stoichiometric RCM measurements reveal that within the low-temperature regime ethanol retards first-stage and main ignition delay times, and suppresses both the rates and extents of low-temperature heat release (LTHR), while within the intermediate-temperature regime ethanol only causes slight changes. Good agreement of ignition delay time and preliminary heat release prediction is found between model and experimental results. Sensitivity and flux analyses further show that ethanol blending effects are dominated by the competition between the H-atom abstraction from ethanol and other fuel components by OH radical at low temperatures and by HO 2 radical at intermediate temperatures. These findings are consistent across both fuel loading conditions explored in this study. In addition, when HCCI engine experiments are mapped onto undiluted/lean RCM measurements under a constant combustion phasing scenario, good correspondence between the two apparatuses is observed for LTHR and start of high-temperature heat release. Finally, the current study highlights the importance of characterizing LTHR in predicting fuel behaviors in high-boost/low-temperature engines, and demonstrates that RCM experiments can provide an alternative, and more-efficient avenue for such characterization.

02 PETROLEUM↗
DOE OSTI2020

Thermodynamics and kinetics of solution combustion synthesis: Ni(NO 3 ) 2 + fuels systems

Solution combustion synthesis (SCS) utilizes exothermic self-propagating reactions to prepare nanoscale materials that can be used widely in energy, electronics, and biomedical technologies and other applications. SCS is a specific variety of a more general combustion synthesis (CS) method. Investigations of the thermodynamics, kinetics, and the mechanisms of SCS reactions, are not as well studied as the other CS processes. This work reports on a systematic study of the thermodynamics and kinetics of SCS reactions involving Ni(NO 3 ) 2 , an oxidizer, and either glycine (C 2 H 5 NO 2 ) or hexamethylenetetramine (HMT, C 6 H 12 N 4 ) as fuels. A thermodynamic modeling approach, based on the Gibbs free energy minimization principle, is applied to the simultaneous calculations of the adiabatic temperatures and compositions of the equilibrium products. Our calculations reveal the influence of fuel-to-oxidizer ratio, amount of water, and the oxygen in air on the combustion temperature under adiabatic conditions and the composition of the resulting products. We have, in turn, measured the combustion temperature and phase composition of products and compared them with the calculations. Variations of drying times for the solutions yield precursor gels with varying water contents. This approach enables the manipulation of combustion parameters and confirms the use of calculated activation energies for reactions using the Merzhanov-Khaikin method. Here, the results show that SCS reactions in fuel-lean solutions producing NiO have higher activation energy in contrast to reactions with fuel-rich solutions that form Ni. Reduction of activation energies due to the increase in the fuel-to-oxidizer ratio could be related to the observed change of the rate-limiting stages of the endothermic decomposition of the individual reactants to the exothermic decomposition of coordinate compounds formed between the reactants.

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

Interplay of Crystal Structure and Magnetic Properties of the Eu 5.08-x Sr x Al 3 Sb 6 Solid Solution

Zintl phases containing rare-earth metals have gained attention due to their magnetic, electronic, and thermoelectric properties. Eu 5.08 Al 3 Sb 6 is a new structure type (monoclinic space group C2/m) that can be described as a pseudorock-salt EuSb motif with the Eu-centered Sb octahedra at the origin of the unit cell, and on the C-face center, containing either Eu (8%) or an Al 4 tetrahedron modeled as a dual tetrahedron (37.5%). The complete solid solution of Eu 5.08–x Sr x Al 3 Sb 6 can be prepared; however, the cation totals vacillate from 5 to 5.24 depending on the Al content. Al K-edge XANES shows a shift to higher energy relative to the Al metal but at slightly lower energy relative to AlSb, indicating an intermediate oxidation state closer to +3 than 0. The lack of an Al K-edge shift with the incorporation of Sr suggests that changes in Sr content do not have a meaningful impact on the electronics of the Al tetrahedra. Investigation of the solid solution structures provides evidence for classifying this structure type as a polar intermetallic phase with variable composition. Magnetization measurements were collected for the solid solution and show complex magnetic ordering with competing ferromagnetic and antiferromagnetic interactions as the Sr content increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗