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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Cluster-Spin-Glass Magnetic Behavior and Morphology in the Coordination Polymer Alloys Fe y Co 1– y BTT

We report the synthesis of a series of pseudo-1D coordination polymer (CP) materials with the formula Fe y Co 1–y BTT (BTT = 1,3,5-benzenetrithiolate). These materials were structurally characterized by PXRD Rietveld, EXAFS, and PDF analyses, revealing that the CP superstructure enables a continuous and isomorphous alloy between the two homometallic compounds. Lower Fe loadings exhibit emergent spin glass magnetic behavior, such as memory effects and composition-dependent spin glass response time constants ranging from 6.9 × 10 –9 s to 1.8 × 10 –6 s. These data are consistent with the formation of spin clusters within the lattice. The magnetic behavior in these materials was modeled via replica exchange Monte Carlo simulation, which provides a good match for the experimentally measured spin glassing and magnetic phase transitions. Furthermore, these findings underscore how the rigid superstructure of CP and MOF scaffolds can enable the systematic tuning of physical properties, such as the spin glass behavior described here.

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

Magnetic Blocking in Fluoflavine Radical-Bridged Dilanthanide Complexes

Magnetic exchange coupling is difficult to foster in polynuclear lanthanide (Ln) complexes and poorly understood. While coupling Ln ions through closed-shell ligands is inherently weak due to the contracted 4f orbitals, placing open-shell ligands instead has proven to promote orders of magnitude stronger coupling, giving rise to single-molecule magnets (SMMs) innate to real magnetic memory effect in the case of the anisotropic Ln ions. Notably, the impact of radical bridges with differing oxidation states on magnetic blocking remains unexplored due to lack of Ln SMMs with radicals in two distinct charge states. Herein, the first dilanthanide complexes (Ln = Gd, Dy) containing fluoflavine (flv) bridges, [(Cp* 2 Ln) 2 (μ-flv z )]X, (where X = [Al(OC{CF 3 } 3 ) 4 ] − (z = 1−•), 1-Ln; X = 0 (z = 2−), 2-Ln; X =[K(crypt-222)] + (z = 3−•), 3-Ln) are reported. 1-Ln and 3-Ln, comprising the flv 1−• and flv 3−• radical bridges, were investigated via single-crystal X-ray diffraction (SCXRD), ultraviolet−visible (UV−vis) spectroscopy, Superconducting Quantum Interference Device (SQUID) magnetometry, high-field electron paramagnetic resonance (HF-EPR) spectroscopy and broken-symmetry density functional theory (BS-DFT) calculations. 1-Dy and 3-Dy constitute the first SMMs innate to radicals in two differing oxidation states. 1-Dy exhibits a spin-reversal barrier U eff of 28.36 cm −1 and open magnetic hysteresis loops below 3 K. By contrast, 3-Dy displays a much higher U eff of 143(2) cm −1 and open hysteresis loops until 9.5 K, representing a record for dilanthanide SMMs containing an organic radical bridge. The boost in SMM properties in 3-Dy is attributed to spin-phonon coupling and improved frontier orbital structure. This study paves the way for advanced design strategies of polynuclear Ln SMMs.

Benner, Florian [Michigan State Univ., East Lansin↗
DOE OSTI2021

Linking Deep and Shallow Convective Mass Fluxes via an Assumed Entrainment Distribution in CAM5‐CLUBB: Parameterization and Simulated Precipitation Variability

Abstract We modify the Zhang‐McFarlane (ZM) deep convection scheme in the Community Atmosphere Model version 5 to couple it with a unified parameterization for boundary‐layer turbulence and shallow convection, that is, Cloud Layers Unified by Binormals (CLUBB). By assuming a lognormal distribution of entrainment rate across the entire moist convective regimes, we link mass fluxes between shallow and deep convection, which are partitioned by the entrainment rate of the shallowest deep convective plume. Hence, a new deep convective closure is established which is coupled to the sub‐grid vertical motion variability in CLUBB. The convection feedback (or memory) effects are also considered to decrease the entrainment spectrum width and enhance the vertical velocity variability that further affect deep convection. Results show that the revised scheme improves the precipitation simulations in terms of the mean state and variability at various timescales, such as the alleviated double‐intertropical convergence zone and more realistic simulations of the seasonal variation of monsoon precipitation over East Asia, Madden‐Julian Oscillation, and precipitation diurnal phase propagations downstream of large terrains. The improvements are still seen in many aspects such as the mean‐state precipitation when turning off the convection feedback impacts in the revised scheme, emphasizing the benefits of using the modified mass‐flux closure. However, the convection feedbacks have considerable effects on the precipitation diurnal cycle simulations over regions with late‐afternoon precipitation peaks. Overall, the revised scheme provides a unified treatment for sub‐grid vertical motions across regimes of boundary‐layer turbulence, shallow convection, and deep convection, leading to better‐simulated precipitation at various timescales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Non-Markovian relaxation spectroscopy of fluxonium qubits

Recent studies have shown that parasitic two-level systems (TLS) in superconducting qubits, which are a leading source of decoherence, can have relaxation times longer than the qubits themselves. However, the standard techniques used to characterize qubit relaxation is only valid for measuring T 1 under the Born-Markov approximation and could mask environmental memory effects in practice. Here, we introduce two-timescale relaxometry, a technique to probe the qubit and environment relaxation simultaneously and efficiently. We apply it to high-coherence fluxonium qubits over a frequency range of 0.1-0.4 GHz, and reveal a discrete spectrum of TLS with millisecond lifetimes. Our analysis of the spectrum is consistent with a random distribution of TLS in the aluminum oxide tunnel barrier of the Josephson junction chain of the fluxonium, with a spectral and volumetric density and average electric dipole similar to previous TLS studies at much higher frequencies. Our study suggests that investigating and mitigating TLS in the junction chain is crucial to the development of various types of noise-protected qubits in circuit QED.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Piezomagnetic switching and complex phase equilibria in uranium dioxide

Abstract Actinide materials exhibit strong spin–lattice coupling and electronic correlations, and are predicted to host new emerging ground states. One example is piezomagnetism and magneto-elastic memory effect in the antiferromagnetic Mott-Hubbard insulator uranium dioxide, though its microscopic nature is under debate. Here, we report X-ray diffraction studies of oriented uranium dioxide crystals under strong pulsed magnetic fields. In the antiferromagnetic state a [888] Bragg diffraction peak follows the bulk magnetostriction that expands under magnetic fields. Upon reversal of the field the expansion turns to contraction, before the [888] peak follows the switching effect and piezomagnetic ‘butterfly’ behaviour, characteristic of two structures connected by time reversal symmetry. An unexpected splitting of the [888] peak is observed, indicating the simultaneous presence of time-reversed domains of the 3-k structure and a complex magnetic-field-induced evolution of the microstructure. These findings open the door for a microscopic understanding of the piezomagnetism and magnetic coupling across strong magneto-elastic interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

nn-PINNs: Non-Newtonian physics-informed neural networks for complex fluid modeling

Time- and rate-dependent material functions in non-Newtonian fluids in response to different deformation fields pose a challenge in integrating different constitutive models into conventional computational fluid dynamic platforms. Considering their relevance in many industrial and natural settings alike, robust data-driven frameworks that enable accurate modeling of these complex fluids are of great interest. The main goal is to solve the coupled Partial Differential Equations (PDEs) consisting of the constitutive equations that relate the shear stress to the deformation and fully capture the behavior of the fluid under various flow protocols with different boundary conditions. Here, in this work, we present non-Newtonian physics-informed neural networks (nn-PINNs) for solving systems of coupled PDEs adopted for complex fluid flow modeling. The proposed nn-PINN method is employed to solve the constitutive models in conjunction with conservation of mass and momentum by benefiting from Automatic Differentiation (AD) in neural networks, hence avoiding the mesh generation step. nn-PINNs are tested for a number of different complex fluids with different constitutive models and for several flow protocols. These include a range of Generalized Newtonian Fluid (GNF) empirical constitutive models, as well as some phenomenological models with memory effects and thixotropic timescales. nn-PINNs are found to obtain the correct solution of complex fluids in spatiotemporal domains with good accuracy compared to the ground truth solution. We also present applications of nn-PINNs for complex fluid modeling problems with unknown boundary conditions on the surface, and show that our approach can successfully recover the velocity and stress fields across the domain, including the boundaries, given some sparse velocity measurements.

42 ENGINEERING↗
DOE OSTI2024

Defect-induced formation and frustration-driven multiple magnetic transitions in Gd 2 Co 0.90 Si 2.90

A new ternary compound, Gd 2 Co 0.90 Si 2.90 , has been synthesized in a chemically single phase by deliberately introducing lattice vacancies in the Co and Si sites. The system is characterized by DC magnetization, heat capacity, resistivity and density functional theory (DFT) calculations. Here, a detailed experimental study reveals that the system exhibits an antiferromagnetic transition below T N = 11.3 K followed by spin freezing behaviour below T B ~ 4.8 K. An additional high-temperature magnetic transition could also be detected at T H ~ 150 K, which is short range in character and is associated with defect-induced polarization of the conduction electrons. The spin-glass-like state formation in the system is additionally bolstered by the observation of magnetic relaxation and associated aging phenomena as well as the magnetic memory effect. On the basis of non-equilibrium dynamical behaviour, we argue that the glassy state in this compound favours the hierarchical model over the droplet model. DFT calculations and experimental outcomes establish that the ground state is magnetically frustrated due to the small energy difference between distinct spin configurations having closely spaced ground-state energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Breakdown and Discharge Characteristics of High Repetition Frequency Nanosecond Pulsed Air Dielectric Barrier Discharge

This study explores the breakdown characteristics and discharge modes in a parallel plate air dielectric barrier discharge system using repetitive nanosecond pulses, with pulse repetition frequencies (PRFs) from 0.1 to 100 kHz. It examines how pulse parameters—PRF, pulse number and gas pressure—affect the memory effect, leveraging current and voltage measurements, fast imaging and optical emission spectroscopy. The findings show that higher PRFs lead to a reduction in breakdown voltage well below the streamer breakdown threshold. We argue that this effect may be attributed to the cumulative buildup of metastable species and negative ions in the discharge gap which could sustain free electrons in‐between the voltage pulses. Despite observing increased energy deposition with higher PRFs, the impact on filament formation was minimal, highlighting a strong dependence of discharge morphology on the accumulation of plasma‐produced species. This research studies provides valuable insights for controlling discharge regimes in applications such as plasma‐assisted combustion, surface treatment and air treatment by clarifying the interactions between discharge mechanisms at different PRFs and pressures.

42 ENGINEERING↗
DOE OSTI2021

Experimental study of atmospheric pressure single-pulse nanosecond discharge in pin-to-pin configuration

We present an experimental study of nanosecond high-voltage discharges in a pin-to-pin electrode configuration at atmospheric conditions operating in single-pulse mode (no memory effects). Discharge parameters were measured using microwave Rayleigh scattering, laser Rayleigh scattering, optical emission spectroscopy enhanced with a nanosecond probing pulse, and fast photography. Spark and corona discharge regimes were studied for electrode gap sizes 2-10 mm and discharge pulse duration of 90 ns. The spark regime was observed for gaps < 6 mm using discharge pulse energies of 0.6-1 mJ per mm of the gap length. Higher electron number densities, total electron number per gap length, discharge currents, and gas temperatures were observed for smaller electrode gaps and larger pulse energies, reaching maximal values of about 7.5 x 10 15 cm -3 , 3.5 x 10 11 electrons per mm, 22 A, and 4,000 K (at 10 microseconds after the discharge), respectively, for a 2 mm gap and 1 mJ/mm discharge pulse energy. Initial breakdown was followed by a secondary breakdown occurring about 30-70 ns later and was associated with ignition of a cathode spot and transition to cathodic arc. Here, a majority of the discharge pulse energy was deposited into the gas before the secondary breakdown (85-89%). The electron number density after the ns-discharge pulse decayed with a characteristic time scale of 150 ns governed by dissociative recombination and electron attachment to oxygen mechanisms. For the corona regime, substantially lower pulse energies (~0.1 mJ/mm), peak conduction current (1-2 A), and electron numbers (3-5 x 10 10 electrons per mm), and gas temperatures (360 K) were observed.

42 ENGINEERING↗
DOE OSTI2025

Tunable shear thickening, aging, and rejuvenation in suspensions of shape-memory-endowed liquid crystalline particles

The morphological features of particles, notably shape anisotropy, critically influence the rheological properties of dense suspensions, spanning both natural and engineered systems. This work explores the potential of using shape memory particles to dynamically regulate suspension fluid flow through controllable shape transformations. First, we synthesize shape-memory particles with programmable anisotropy from liquid crystal elastomers, such that the stiffness and shapes of the particles can be tuned by manipulating temperature. Our findings reveal that suspensions from such particles exhibit significant tunability in shear thickening behavior, transitioning from discontinuous shear thickening to a Newtonian-like response within a narrow temperature range of 60 ° C. This capability to modulate rheological responses in situ presents an approach for addressing processing challenges in many applications where control over flow behavior is paramount. Furthermore, we also show that suspensions composed of these anisotropic particles can undergo physical aging, and evolve into a glassy state. This state can be escaped upon activation of the shape memory effect. This reversibility underscores the potential for using such materials to engineer systems that can enter or come out of kinetic arrest by leveraging internal mechanical responses to external stimuli. The insights gained here not only broaden our understanding of the interplay between particle geometry and suspension dynamics but also pave the way for leveraging ensembles of stimuli-responsive objects to precisely control collective behaviors in many-body systems.

Science & Technology - Other Topics↗
DOE OSTI2020

Hollow plasma structure during the breakdown phase of nanosecond pulsed pin–pin discharges generated with overvoltage

Atmospheric pressure nanosecond repetitive pulsed discharges are of interest for applications in combustion, material processing, plasma medicine and gas treatment. Here, the observation of a hollow structure at the ignition stage of such discharge in a pin–pin geometry is reported. Plasma images show that the phenomenon occurs in a variety of gases (helium, humid helium, argon and air) suggesting that it is in first approximation non-species specific. The phenomenon is investigated in detail in pure helium discharges for peak applied voltages between 3 and 6 kV and 200 ns voltage pulse duration by performing time-resolved optical emission spectroscopy measurements of electron density, gas temperature and electric field. All the measurements were performed at the mid-gap during the early stages of the discharge, near the breakdown. The transition from a homogeneous filament to a hollow structure occurs between 4 and 5 kV in helium. Electron density measurements by Stark broadening of the He I line at 492.2 nm show no significant difference in electron densities for the applied voltage between 3 and 6 kV. In all cases, a maximum electron density of about 3.5 × 10 21 m –3 was found. Electric field measurements performed by Stark polarization spectroscopy of the He I transition at 492.2 nm and of its forbidden counterpart show electric field strengths higher than the DC breakdown field of helium at atmospheric pressure consistent with the generation of the discharges with overvoltage. Moreover, a correlation between electric field values and the appearance of the hollow structure is observed and, remarkably, the phenomenon is not sensitive to the pre-ionization level (memory effect). Possible mechanisms for the phenomenon are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Observation of long-radial-range-correlation in turbulence in high-collisionality high-confinement plasmas on DIII-D

Abstract We report on the observation of spatially asymmetric turbulent structures with a long radial correlation length in the core of high-collisionality H -mode plasmas on DIII-D tokamak. These turbulent structures develop from shorter wavelength turbulence and have a radially elongated structure. The envelope of turbulence spans a broad radial range in the mid-radius region, leading to streamer-like transport events. The underlying turbulence is featured by intermittency, long-term memory effect, and the characteristic spectrum of self-organized criticality. The amplitude and the radial scale increase substantially when the shearing rate of the mean flow is reduced below the turbulent scattering rate. The enhanced long-radial-range-correlated (LRRC) transport events are accompanied by apparent degradation of normalized energy confinement time. The emergence of such LRRC transport events may serve as a candidate explanation for the degrading nature of H-mode core plasma confinement at high collisionality on DIII-D tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Time-domain theory of transient heat conduction in the local limit

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived from statistical physics. Existing empirical generalizations of Fourier's law often lack a solid microscopic foundation, failing to connect observed non-Fourier behavior with underlying atomic-scale mechanisms. In this work, we present a time-domain theory of transient heat conduction rooted in Zwanzig's statistical theory of irreversible processes. Central to this framework is the time-domain transport function $\overleftrightarrow{𝑍}$⁡(𝑡) defined through equilibrium time-correlation functions of heat fluxes. This function generalizes the conventional concept of steady-state thermal conductivity, governing the transition of conduction dynamics from onset second sound type wave propagation at finite speeds to diffusion-dominated behavior across broad temporal and spatial scales. Unlike phonon hydrodynamic models that rely on mesoscopic constructs such as phonon drift velocity, our approach provides a quantitative and microscopic description of intrinsic memory effects in transient heat fluxes and applies universally to bulk materials at any temperature or length scale. By integrating atomistic-scale first-principles calculations with continuum-level macroscopic equations, this framework offers a robust foundation for numerical simulations of transient temperature fields. Furthermore, it facilitates the interpretation and design of transient thermal grating experiments using nanometer-scale heat sources and ultrafast laser systems in the extreme ultraviolet and x-ray wavelength ranges, advancing our understanding of heat dissipation dynamics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Phase transition amplification of proton number fluctuations in nuclear collisions from a transport model approach

The time evolution of particle number fluctuations in nuclear collisions at intermediate energies (E lab = 1.23–10⁢A GeV) is studied by means of the UrQMD-3.5 transport model. The transport description incorporates baryonic interactions through a density-dependent potential. This allows for an implementation of a first-order phase transition including a mechanically unstable region at large baryon density. The scaled variance of the baryon and proton number distributions is calculated in the central cubic spatial volume of the collisions at different times. A significant enhancement of fluctuations associated with the unstable region is observed. This enhancement persists to late times, reflecting a memory effect for the fluctuations. The presence of the phase transition has a much smaller influence on the observable event-by-event fluctuations of protons in momentum space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Gravitational memory and compact extra dimensions

Here we develop a general formalism for treating radiative degrees of freedom near $\mathscr{I}^+$ in theories with an arbitrary Ricci-flat internal space. These radiative modes are encoded in a generalized news tensor which decomposes into gravitational, electromagnetic, and scalar components. We find a preferred gauge which simplifies the asymptotic analysis of the full nonlinear Einstein equations and makes the asymptotic symmetry group transparent. This asymptotic symmetry group extends the Bondi–Metzner–Sachs (BMS) group to include angle-dependent isometries of the internal space. We apply this formalism to study memory effects, which are expected to be observed in future experiments, that arise from bursts of higher-dimensional gravitational radiation. We outline how measurements made by gravitational wave observatories might probe properties of the compact extra dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Ultrafast structural response of shock‐compressed plagioclase

Abstract Meteor impacts can induce unique pressure‐dependent structural changes in minerals due to the propagation of shock waves. Plagioclase—ubiquitous throughout the Earth’s crust, extraterrestrial bodies, and meteorites—is commonly used for reconstructing the impact history and conditions of the parent bodies. However, there have been unresolved inconsistencies in the interpretation of shock transformations across previous studies: The pressure at which amorphization begins and the process by which it occurs is the subject of ongoing debate. Here, we utilize time‐resolved in situ X‐ray diffraction (XRD) to probe the phase transformation pathway of plagioclase during shock compression at a sub‐nanosecond timescale. Direct amorphization begins at pressures much lower than what was previously assumed, just above the Hugoniot elastic limit of 5 GPa, with full amorphization to a high‐density amorphous phase, observed at 32(10) GPa and 20 ns. Upon release, the material partially recrystallizes back into the original structure, demonstrating a memory effect.

58 GEOSCIENCES↗
DOE OSTI2020

Quantum Memristors in Frequency-Entangled Optical Fields

A quantum memristor is a passive resistive circuit element with memory, engineered in a given quantum platform. It can be represented by a quantum system coupled to a dissipative environment, in which a system–bath coupling is mediated through a weak measurement scheme and classical feedback on the system. In quantum photonics, such a device can be designed from a beam splitter with tunable reflectivity, which is modified depending on the results of measurements in one of the outgoing beams. Here, we show that a similar implementation can be achieved with frequency-entangled optical fields and a frequency mixer that, working similarly to a beam splitter, produces state superpositions. We show that the characteristic hysteretic behavior of memristors can be reproduced when analyzing the response of the system with respect to the control, for different experimentally attainable states. Since memory effects in memristors can be exploited for classical and neuromorphic computation, the results presented in this work could be a building block for constructing quantum neural networks in quantum photonics, when scaling up.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Technical note: Optimizing the in situ cosmogenic 36 Cl extraction and measurement workflow for geologic applications

Abstract. In situ cosmogenic 36Cl analysis by accelerator mass spectrometry (AMS) is routinely employed to date Quaternary surfaces and assess rates of landscape evolution. However, standard laboratory preparation procedures for 36Cl dating require the addition of large amounts of isotopically enriched chlorine spike solution; these solutions are expensive and increasingly difficult to acquire from commercial sources. In addition, the typical workflow for 36Cl dating involves measuring both 35Cl/37Cl and 36Cl/Cl concurrently on the high-energy (post-accelerator) end of the AMS system, but 35Cl/37Cl determinations using this technique can be complicated by isotope fractionation and system memory during measurement. The traditional workflow also does not provide 36Cl extraction laboratories with the data needed to calculate native Cl concentrations in advance of 36Cl/Cl measurements. In light of these concerns, we present an improved workflow for extracting and measuring chlorine in geologic materials. Our initial step is to characterize 35Cl/37Cl on sample aliquots of up to ∼1 g prepared in Ag(Cl, Br) matrices, which greatly reduces the amount of isotopically enriched spike solution required to measure native Cl content in each sample. To avoid potential issues with isotope fractionation through the accelerator, 35Cl/37Cl is measured on the low-energy, pre-accelerator end of the AMS line. Then, for 36Cl/Cl measurements, we extract Cl as AgCl or Ag(Cl, Br) in analytical batches with a consistent total Cl load across all samples; this step is intended to minimize source memory effects during 36Cl/Cl measurements and allows the preparation of AMS standards that are customized to match known Cl contents in the samples. To assess the efficacy of this extraction and measurement workflow, we compare chlorine isotope ratio measurements on seven geologic samples prepared using standard procedures and the updated workflow. Measurements of 35Cl/37Cl and 36Cl/Cl are consistent between the two workflows, and 35Cl/37Cl values measured using our methods have considerably higher precision than those measured following standard protocols. The chemical preparation and measurement workflow presented here (1) reduces the amount of isotopically enriched chlorine spike used per rock sample by up to 95 %; (2) identifies rocks with high native Cl concentrations, which may be lower priority for 36Cl surface exposure dating, at an early stage of analysis; and (3) allows laboratory users to maintain control over the total chlorine content within and across analytical batches. These methods can be incorporated into existing laboratory and AMS protocols for 36Cl analyses and will increase the accessibility of 36Cl dating for geologic applications.

58 GEOSCIENCES↗