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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

4 d element induced improvement of structural disorder and development of weakly reentrant spin-glass behavior in NiRuMnSn

The pursuit of efficient spin polarization in quaternary Heusler alloys with the general formula XX'YZ (where X, X', and Y are transition metals and Z is a p-block element) has been a subject of significant scientific interest. While previous studies showed that isoelectronic substitution of a 4d element in place of a 3d element in quaternary Heusler alloys improves the half-metallic ferromagnetic characteristics, our research here, on the quaternary Heusler alloy NiRuMnSn, reveals a strikingly different scenario. In this study, we present a detailed structural analysis of the material using x-ray absorption fine structure and neutron diffraction techniques which confirms the formation of a single-phase compound with 50:50 site disorder between Ni and Ru atoms at 4c and 4d sites. Contrary to expectations, our density functional theory calculations suggest a considerable decrease in spin polarization even in the ordered structure. Additionally, we report on the compound's exceptional behavior, displaying a rare reentrant spin-glass property below ~ 60 K, a unique and intriguing feature for quaternary Heusler-type compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

X-ray-induced piezoresponse during X-ray photon correlation spectroscopy of PbMg 1/3 Nb 2/3 O 3

X-ray photon correlation spectroscopy (XPCS) holds strong promise for observing atomic-scale dynamics in materials, both at equilibrium and during non-equilibrium transitions. Here an in situ XPCS study of the relaxor ferroelectric PbMg 1/3 Nb 2/3 O 3 (PMN) is reported. A weak applied AC electric field generates strong response in the speckle of the diffuse scattering from the polar nanodomains, which is captured using the two-time correlation function. Correlated motions of the Bragg peak are also observed, which indicate dynamic tilting of the illuminated volume. This tilting quantitatively accounts for the observed two-time speckle correlations. The magnitude of the tilting would not be expected solely from the modest applied field, since PMN is an electrostrictive material with no linear strain response to the field. A model is developed based on non-uniform static charging of the illuminated surface spot by the incident micrometre-scale X-ray beam and the electrostrictive material response to the combination of static and dynamic fields. The model qualitatively explains the direction and magnitude of the observed tilting, and predicts that X-ray-induced piezoresponse could be an important factor in correctly interpreting results from XPCS and nanodiffraction studies of other insulating materials under applied AC field or varying X-ray illumination.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Oscillator strengths of Cr I lines lying between 200 and 541 nm from hook-method and absorption measurements in a furnace

Measurements of 148 oscillator strengths of neutral chromium transitions were made on Cr vapor in a high-temperature furnace by the hook and absorption methods for strong and weak lines, respectively. With the aid of a 5D-z 5F0 multiplet, the product of the oscillator strengths of the lines of this multiplet with the column densities of their respective lower levels could be determined, and by using estimated oscillator strengths for these lines, all data could be put on a common relative scale. This scale was altered so that the results were matched with relative emission intensities. Results are compared with other authors' results. A correction to the hook method constant was also determined.

Huber, M. C. E.↗
DOE OSTI2025

AI-Enabled Operations at Fermi Complex: Multivariate Time Series Prediction for Outage Prediction and Diagnosis

The Main Control Room of the Fermilab accelerator complex continuously gathers extensive time-series data from thousands of sensors monitoring the beam. However, unplanned events such as trips or voltage fluctuations often result in beam outages, causing operational downtime. This downtime not only consumes operator effort in diagnosing and addressing the issue but also leads to unnecessary energy consumption by idle machines awaiting beam restoration. The current threshold-based alarm system is reactive and faces challenges including frequent false alarms and inconsistent outage-cause labeling. To address these limitations, we propose an AI-enabled framework that leverages predictive analytics and automated labeling. Using data from $2,703$ Linac devices and $80$ operator-labeled outages, we evaluate state-of-the-art deep learning architectures, including recurrent, attention-based, and linear models, for beam outage prediction. Additionally, we assess a Random Forest-based labeling system for providing consistent, confidence-scored outage annotations. Our findings highlight the strengths and weaknesses of these architectures for beam outage prediction and identify critical gaps that must be addressed to fully harness AI for transitioning downtime handling from reactive to predictive, ultimately reducing downtime and improving decision-making in accelerator management.

Jain, Milan [PNL, Richland] (ORCID:000000021676111↗
DOE OSTI2021

Structure of rotational bands in 109 Rh

Rotational bands in 109 Rh are investigated in a simple model and in the interacting boson-fermion model. We have developed a solvable extended transitional Hamiltonian by adding a two-configuration mixing term. Results suggest that 109 Rh is a good candidate for triaxiality and shape coexistence. Mixing between 3/2 + states with K = 1/2 and 3/2 is found to be weak, as evidenced by the E2 strengths.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

A limit to strong shock behavior in the dynamic response of matter at pressure

Solids under high pressures experience a series of regimes, where their microstructure adapts to the applied compression and these key transitions are discussed in this paper. As strain increases, new forces emerge at extreme pressures. A previous study introduced the concept of the weak shock limit (WSL), at which the ambient theoretical shear strength is overcome. Above the WSL, further deformation under strong shock conditions results in electrons occupying higher energy levels as strain increases. As pressure rises further, shock melting occurs in the material and at around three times this melting pressure, the strong shock limit is reached where the driving physics under pressure switches, with electrons forced into higher energy states. This leads to significant reduction in their compressibility due to changes in electronic structure and developing electron degeneracy pressures. A derivation for conditions at this state is presented, which indicates that a dependence of the threshold pressure on the free electron number density defines the limit observed. This correlation suggests that ambient material moduli govern material compression up to nearly 50% strain. These observations show that models should account for different behaviors as dominant physics changes in each regime accessed as shock pressure increases.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Noncollinear spin structure with weak ferromagnetism in NbMnP

NbMnP is a metallic material, which consists of the zigzag chains of Mn moments along the b axis. The magnetic susceptibility as well as the resistivity shows an anomaly at 233 K, which indicates an antiferromagnetic phase transition. Our neutron powder diffraction experiment reveals that the magnetic structure is a Q=0 structure and noncollinear with an easy plane anisotropy perpendicular to the b axis, and the a- and c-axis magnetic components align antiferromagnetically and ferromagnetically along the zigzag chain direction, respectively. The ordered moment is 1.2μ B , which is reduced probably due to the itineracy of the Mn moments. A localized picture model suggests that the Q=0 magnetic structure is formed by the frustration among several exchange couplings. A weak ferromagnetic component is also present in the antiferromagnetic phase, which is considered to be caused by a Dzyaloshinskii-Moriya interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A Solid State Zwitterionic Plastic Crystal With High Static Dielectric Constant

Solid materials with a high dielectric constant have a wide range of applications in the energy storage field. In this research, an imidazolium-based zwitterion is designed, synthesized, and confirmed to have a plastic crystal phase based on the following experimental and computational evidence: (i) the presence of long-range order with weak intermolecular forces and competing attractive-repulsive interactions along different crystallographic directions; (ii) the observation of more than one endotherm on heating including a solid-solid phase transition at T s-s = −26 °C and melting of the plastic crystal at T m = 72°C; (iii) a low entropy of fusion at melting (2.1 JK −1 mol −1 ); (iv) a strongly anisotropic morphology; (v) relatively fast dynamics originating from short-range degrees of freedom. Furthermore, it exhibits a very high dielectric constant in the plastic crystal solid state (147 at −10°C and 103 at 70°C) due to the rotational degrees of freedom of plastic crystals that arise from weak net intermolecular interactions of zwitterions due to only having two carbons between the anion and cation. This material conveniently remains in the plastic crystal phase within 50 K of ambient temperature. This discovery opens new opportunities in the search for solid-state high dielectric constant materials.

dielectric relaxation↗
DOE OSTI2020

Brittle-ductile transitions in a metallic glass

Recent computational and laboratory experiments have shown that brittle-ductile transitions in the notch toughnesses of metallic glasses such as Vitreloy 1 are strongly sensitive to the initial effective disorder (or “fictive”) temperature. Glasses with lower effective temperatures are weak and brittle; those with higher effective temperatures are strong and ductile. The analysis of this phenomenon presented here examines the onset of fracture at the tip of a notch as predicted by the shear-transformation-zone theory of spatially varying plastic deformation. The central ingredient of this analysis is an approximation for the dynamics of the plastic zone formed by stress concentration at the notch tip. As a result, this zone first shields the tip but then, with increasing stress, expands suddenly, producing a discontinuous transition between brittle and ductile failure in satisfactory agreement with the numerical and experimental observations.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Remote sensing of atomic oxygen - Some observational difficulties in the use of the forbidden O I 1173-A and O I 1641-A transitions

Recent sounding rocket and satellite studies suggest that simultaneous measurements of the O I 989-A and 1304-A resonance lines and of the forbidden 1172.6-A and 1641.3-A transitions would form the basis of a useful remote sensing technique for measuring the O I density and optical opacity of a planetary or stellar atmosphere. Because the 1172.6-A and 1641.3-A emissions are weak lines and are emitted in a wavelength region rich in spectral features, it is important to determine whether typical flight instruments can make measurements with sufficient spectral purity so that the remote sensing observations will yield accurate results. A detailed, high-resolution study of the far UV emission features in the regions surrounding the atomic oxygen transitions at 1172.6 and 1641.3 A was made. These spectra, which were excited by electron impact on O2 and N2, are presented in an attempt to display some potential sources of interference in aeronomical measurements of these O I lines. Both atomic and molecular emissions are found, and the spectral resolution necessary to make unambiguous measurements is discussed.

Erdman, P. W.↗
DOE OSTI2026

Low-energy 17 O(𝑛,𝛾)⁢ 18 O reaction within the microscopic potential model and its role for the weak 𝑟 process

The neutron radiative capture reaction 17 O ⁡(𝑛,𝛾) ⁢18 O plays a pivotal role in both nuclear structure studies and astrophysical nucleosynthesis, particularly in the formation of elements during hydrostatic and explosive stellar environments. We calculated the 17 O ⁡(𝑛,𝛾) ⁢18 O cross section within the Skyrme Hartree-Fock potential model and analyzed electric dipole 𝐸⁢1 transitions to both positive- and negative-parity states below the α-decay threshold in 18 O. Our cross sections are significantly different from the data available in commonly used libraries. We further investigate the impact of the new calculated cross section on weak 𝑟-process nucleosynthesis using large-scale reaction network calculations across a wide range of electron fractions and entropies. Our results show that the 17 O ⁡(𝑛,𝛾) ⁢18 O reaction rate significantly influences the production of first 𝑟-process peak elements, such as strontium, under specific astrophysical conditions. This study highlights the importance of accurate nuclear data for light isotopes in modeling heavy-element synthesis and provides updated reaction rates for future nucleosynthesis simulations.

6 ≤ A ≤ 19↗
DOE OSTI2021

Quarkonium semiclassical transport in quark-gluon plasma: factorization and quantum correction

We study quarkonium transport in the quark-gluon plasma by using the potential nonrelativistic QCD (pNRQCD) effective field theory and the framework of open quantum systems. We argue that the coupling between quarkonium and the thermal bath is weak using separation of scales, so the initial density matrix of the total system factorizes and the time evolution of the subsystem is Markovian. We derive the semiclassical Boltzmann equation for quarkonium by applying a Wigner transform to the Lindblad equation and carrying out a semiclassical expansion. We resum relevant interactions to all orders in the coupling constant at leading power of the nonrelativistic and multipole expansions. The derivation is valid for both weakly coupled and strongly coupled quark-gluon plasmas. We find reaction rates in the transport equation factorize into a quarkonium dipole transition function and a chromoelectric gluon distribution function. For the differential reaction rate, the definition of the momentum dependent chromoelectric gluon distribution function involves staple-shaped Wilson lines. For the inclusive reaction rate, the Wilson lines collapse into a straight line along the real time axis and the distribution becomes momentum independent. The relation between the two Wilson lines is analogous to the relation between the Wilson lines appearing in the gluon parton distribution function (PDF) and the gluon transverse momentum dependent parton distribution function (TMDPDF). The centrality dependence of the quarkonium nuclear modification factor measured by experiments probes the momentum independent distribution while the transverse momentum dependence and measurements of the azimuthal angular anisotropy may be able to probe the momentum dependent one. We discuss one way to indirectly constrain the quarkonium in-medium real potential by using the factorization formula and lattice calculations. The leading quantum correction to the semiclassical transport equation of quarkonium is also worked out. The study can be easily generalized to quarkonium transport in cold nuclear matter, which is relevant for quarkonium production in eA collisions in the future Electron-Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Modulating Microphase Separation of Lamellae-Forming Diblock Copolymers via Ionic Junctions

In this work, we present a molecular dynamics simulation study investigating the phase behavior of lamellae-forming diblock copolymers with a single ionic junction on the backbone. Our results show qualitative agreement with experimental findings regarding enhanced microphase separation with the introduction of an ionic junction at the conjunction point, while further revealing nonmonotonic changes in domain spacing and order–disorder transition as a function of the electrostatic interaction strength. This highlights the dominant roles of entropic and binding effects of counterions under weak and strong ionic correlations, respectively. The location of the ionic junction is found to effectively modulate the charge distribution and chain conformation in the ordered domains; its presence in the middle of a block promotes folding of the block, leading to a smaller domain size. These findings demonstrate the interplay of ionic coupling with steric hindrance and chain end effects, which enhances our understanding of the delicate control over the microphase domain features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Core-excited states in 105 Cd

105 Cd was produced in the 96 Mo+ 12 C fusion/evaporation reaction, performed at NIPNE, Bucharest-Magurele, Romania. Various excited states of positive- and negative-parities were populated. Picosecond half-lives were measured by using the Differential Decay Curve Method (DDCM) method, allowing to control the side feeding of the states of interest. Further, new data were obtained for the half-lives of the 11/2 + , 15/2 - and 19/2 -105 Cd states. Reduced electric quadrupole transition strengths were calculated and compared to the neighboring odd-A and even-A cadmium nuclei. The particle-core weak coupling approach was used to interpret excited states of 105 Cd in the light of the new data.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Complex magnetic order in the decorated spin-chain system Rb 2 Mn 3 ( MoO 4 ) 3 ( OH ) 2

The macroscopic magnetic properties and microscopic magnetic structure of Rb 2 Mn 3 (MoO 4 ) 3 (OH) 2 (space group Pn ma) are investigated by magnetization, heat capacity, and single-crystal neutron diffraction measurements. The compound's crystal structure contains bond-alternating [Mn 3 O 11 ] ∞ chains along the b axis, formed by isosceles triangles of Mn ions occupying two crystallographically nonequivalent sites (the Mn1 site on the base and Mn2 site on the vertex). These chains are only weakly linked to each other by nonmagnetic oxyanions. Both superconducting quantum interference device magnetometry and neutron diffraction experiments show two successive magnetic transitions as a function of temperature. On cooling, it transitions from a paramagnetic phase into an incommensurate phase below 4.5 K with a magnetic wave vector near k 1 = ( 0 , 0.46 , 0 ). An additional commensurate antiferromagnetically ordered component arises with k 2 = ( 0, 0, 0), forming a complex magnetic structure below 3.5 K with two different propagation vectors of different stars. On further cooling, the incommensurate wave vector undergoes a lock-in transition below 2.3 K. The experimental results suggest that the magnetic superspace group is Pnma. 1' (0b0) s0ss for the single- k incommensurate phase and is Pn' m a ( 0 b 0 ) 00 s for the two- k magnetic phase. We propose a simplified magnetic structure model taking into account the major ordered contributions, where the commensurate k 2 defines the ordering of the c-axis component of the Mn1 magnetic moment, while the incommensurate k 1 describes the ordering of the ab -plane components of both Mn1 and Mn2 moments into elliptical cycloids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

First-order preemptive Ising-nematic transition in K5Fe4Ag6Te10

Employing inelastic x-ray scattering and neutron scattering techniques, we observed nematic and magnetic phase transitions with distinct characters in K5Fe4Ag6Te10. Upon cooling, the nematic order undergoes a strongly first-order phase transition followed by a magnetic transition at TN≈34.7K that is consistent with a second-order transition. The temperature difference between these two phase transitions is ∼1.0(8) K. The observed phenomenon can be attributed to a distinctive first-order preemptive Ising-nematic transition, a characteristic unique to a quasi-two-dimensional scenario marked by strong out-of-plane spatial anisotropy due to weak coupling. Our studies establish K5Fe4Ag6Te10 as the first material in the family of iron pnictides and chalcogenides that possesses a nematic tricritical point preceding the magnetic one upon decreasing nematic coupling.

Giles-Donovan, N↗
DOE OSTI2025

Dynamical control in a prethermalized molecular ultracold plasma: Local dissipation drives global relaxation

Prethermalization occurs as an important phase in the dynamics of isolated many-body systems when coupled degrees of freedom relax in a subspace separated from a state of complete thermodynamic equilibrium by a gap in energy or other conserved quantity. Slow equilibration from a prethermal phase can localize the dynamics of natural and model systems despite high dimensionality and limited disorder. Here, we report the signature of an enduring prethermal regime of arrested relaxation in the molecular ultracold plasma that forms following the avalanche of a state-selected Rydberg gas of nitric oxide. For a wide range of initial conditions, this system enters a critical phase in which a density of NO + and electrons balances a population of Rydberg molecules. Electron collisions mix orbital angular momentum, scattering Rydberg electrons to states of very high ℓ . The rapid predissociation of molecules in states of low- ℓ purifies this high- ℓ ensemble. The angular momentum barrier that separates NO + ions and electrons creates an extraordinary gap between the plasma states of n ≈ ℓ , with measured n > 200 and penetrating states of ℓ = 0 , 1 , and 2. Evolution to a statistically equilibrated state of N and O atoms cannot occur without Rydberg electron penetration, and this gap blocks relaxation for a millisecond or more. A weak radiofrequency (RF) field drives ℓ -mixing electron collisions that erase this gap, causing wholesale dissipation. Remarkably, a local quantum-state transition promoting an exceedingly small fraction of the molecules in the prethermalized ensemble to a predissociative state also acts with a global effect, driving the entire system to a dissipative equilibrium. Using the Lindblad master equation, we illustrate qualitatively similar dynamics for a toy model of an open quantum system that consists of a localized set of spins on which dissipation acts at a single site as a gateway to equilibrium. Published by the American Physical Society 2025

Wang, Ruoxi↗
NASA NTRS1972

Vibrationally inelastic low-energy CO/+/ - Ar collisions.

Examination of relative differential cross sections for inelastic scattering of CO(+) by Ar with a high-resolution ion-beam apparatus in which a CO(+) beam interacts with a neutral-Ar beam, and the energy, mass, and angular distribution of scattered ions are measured. Maxima in the inelastic energy-loss spectra occur at energies corresponding to CO(+) spectroscopic vibrational spacings. Weakly inelastic processes are observed below the threshold for vibrational energy loss, corresponding to rotational excitation with the relative importance of rotational transitions increasing with decreasing energy and scattering angle.

Petty, F.↗