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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Strong electron-phonon coupling driven pseudogap modulation and density-wave fluctuations in a correlated polar metal

Abstract There is tremendous interest in employing collective excitations of the lattice, spin, charge, and orbitals to tune strongly correlated electronic phenomena. We report such an effect in a ruthenate, Ca 3 Ru 2 O 7 , where two phonons with strong electron-phonon coupling modulate the electronic pseudogap as well as mediate charge and spin density wave fluctuations. Combining temperature-dependent Raman spectroscopy with density functional theory reveals two phonons, B 2 P and B 2 M , that are strongly coupled to electrons and whose scattering intensities respectively dominate in the pseudogap versus the metallic phases. The B 2 P squeezes the octahedra along the out of plane c -axis, while the B 2 M elongates it, thus modulating the Ru 4d orbital splitting and the bandwidth of the in-plane electron hopping; Thus, B 2 P opens the pseudogap, while B 2 M closes it. Moreover, the B 2 phonons mediate incoherent charge and spin density wave fluctuations, as evidenced by changes in the background electronic Raman scattering that exhibit unique symmetry signatures. The polar order breaks inversion symmetry, enabling infrared activity of these phonons, paving the way for coherent light-driven control of electronic transport.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Dusty plasmas in the solar system

The processes that lead to charging of dust grains in a plasma are briefly reviewed. Whereas for single grains the results have been long known, the reduction of the average charge on a grain by 'Debye screening' has only recently been discovered. This reduction can be important in the Jovian ring and in the rings of Uranus. The emerging field of gravitoelectrodynamics which deals with the motion of charged grains in a planetary magnetosphere is then reviewed. Important mechanisms for distributing grains in radial distance are due to stochastic fluctuations of the grain charge and a systematic variation due to motion through plasma gradients. The electrostatic levitation model for the formation of spokes is discussed, and it is shown that the radial transport of dust contained in the spokes may be responsible for the rich radial structure in Saturn's rings. Finally, collective effects in dusty plasmas are discussed which affect various waves, such as density waves in planetary rings and low-frequency plasma waves. The possibility of charged grains forming a Coulomb lattice is briefly described.

Goertz, C. K.↗
DOE OSTI2025

Solid-state platform for cooperative quantum dynamics driven by correlated emission

While traditionally regarded as an obstacle to quantum coherence, recent breakthroughs in quantum optics have shown that the dissipative interaction of a qubit with its environment can be leveraged to protect quantum states and synthesize many-body entanglement. Inspired by this progress, here we set the stage for the—as yet uncharted—exploration of analogous cooperative phenomena in hybrid solid-state platforms. We develop a comprehensive formalism for the quantum many-body dynamics of an ensemble of solid-state spin defects interacting with the magnetic field fluctuations of a common solid-state reservoir. Our framework applies to any solid-state reservoir whose fluctuating spin, pseudospin, or charge degrees of freedom generate magnetic fields. To understand whether correlations induced by dissipative processes can play a relevant role in a realistic experimental setup, we apply our model to a qubit array interacting via the spin fluctuations of a ferromagnetic bath. Our results show that the low-temperature collective relaxation rates of the qubit ensemble can display clear signatures of super- and subradiance, i.e., forms of cooperative dynamics traditionally achieved in atomic ensembles. We find that the solid-state analog of these cooperative phenomena is robust against spatial disorder in the qubit ensemble and thermal fluctuations of the magnetic reservoir, providing a route for their feasibility in near-term experiments. Finally, our work lays the foundation for a multiqubit approach to quantum sensing of solid-state systems and the direct generation of many-body entanglement in spin-defect ensembles. Furthermore, we discuss how the tunability of solid-state reservoirs opens up novel pathways for exploring cooperative phenomena in regimes beyond the reach of conventional quantum optics setups.

NV centers↗
DOE OSTI2020

Charge density modulation and defect ordering in the $Na_xMnBi_y$ magnetic semimetal

The I-Mn-V antiferromagnet, NaMnBi, develops a very large positive magnetoresistance (MR) up to 10 000% at 2 K and 9 T in crystals showing a semiconductor-to-metal transition (SMT). In the absence of an SMT, a modest (20%) MR is achieved. Here, we show that upon cooling below the magnetic transition, a spatial modulation appears giving rise to new Bragg peaks due to charge and defect ordering in a checkerboard pattern, with two kinds of modulation vectors, $q_1 = \left( \frac{2}{3}, 0, 1 \right)$ and $q_2 = \left( \frac{2}{3}, \frac{1}{3}, \frac {1}{2} \right)$. This constitutes a superlattice transition ($T_s$) that lowers the symmetry from the high-temperature centrosymmetric $P4/nmm$ to the noncentrosymmetric $P\overline{4}m2$. In crystals with a large MR, a close to room temperature $T_s$ is observed with $q_1$ appearing first, followed by $q_2$. In crystals with low MR, however, $T_s$ is much lower and only $q_1$ is observed. Finally, the charge modulation and spin fluctuations may both contribute to the enhancement of MR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Enabling fast-charging of lithium-ion batteries through printed electrodes

It has been well recognized that introducing secondary porous networks (SPNs) into the electrodes can effectively improve the electrochemical performance of lithium-ion batteries (LIBs), especially under fast-charging operations. However, the process complexity and high cost limit the commercial success of advanced electrodes with SPNs. To address this issue, we developed a facile screen-printing process to produce structured graphite electrodes with SPNs. The experimental results demonstrated that, by tuning the diameter and center-to-center (C2C) distance of emulsion dots on the stencil screen, the pore diameters and C2C pore distances of SPNs in screenprinted electrodes can be precisely controlled in the range of 100 mu m to 1 mm and 100 mu m to 3 mm respectively. In addition, the SPNs with hexagonal and square-shape pore alignments have also been imprinted onto the electrode coatings through adjusting the patterns of screen stencils. Used as anodes, the printed graphite electrodes demonstrated significantly reduced overpotential and voltage fluctuation under fast-charging operations from 2C to 6C. Coupled with LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) cathodes, the full cells with printed graphite anodes exhibited an unprecedently stable performance with almost no capacity decay up to 170 cycles when charged to 80 % SOC at 2C. Observations from electron microscopy showed plated lithium undetectable at the surface of printed graphite electrodes after numerous cycles. The electrochemical analysis on the voltage evolution during the cell rest period indicated the significantly delayed onset of lithium plating in the presence of printed graphite electrodes. In conclusion, all these results suggest that the significantly improved cell performance is associated with the shortened Li-ion diffusion distance, reduced polarization and suppressed Li plating in the printed electrodes with patterned SPNs.

25 ENERGY STORAGE↗
DOE OSTI2026

Light-Induced Charge Order Mode in a Metastable Cuprate Ladder

We report the observation of an emergent charge order mode in the optically excited cuprate ladder Sr 14⁢ Cu 24⁢ O 41 . Near-infrared light in the ladder plane drives a symmetry-protected electronic metastable state together with a partial melting of the equilibrium charge order. Our time-resolved resonant inelastic x-ray scattering measurements at the upper Hubbard band reveal a collective excitation dispersing from the charge order wave vector up to 0.8 eV with a slope on the order of the quasiparticle velocity. These findings reveal a regime where correlated carriers acquire itinerant character at finite momentum, and charge order becomes dynamically fluctuating, offering a platform to explore light-induced pairing instabilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The Influence of Charge Correlation and Ion Solvation on the Phase Behavior of Single-Ion Conducting Polymer Blend Electrolytes Using SAXS/SANS

Single-ion conducting polymer blends (SICPBs) have demonstrated exceptional electrochemical performance as solid-state battery electrolytes; however, their nanoscale morphology and thermodynamic behavior remain unexplored. In this work, we investigate blends composed of deuterated poly(ethylene oxide) and poly[lithium sulfonyl(trifluoromethane sulfonyl)imide methacrylate], dPEO/P(LiMTFSI), and report the first experimental study of the nanostructures of charge-neutral polymer blends using small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS). Despite the macroscopic miscibility indicated by a single glass-transition temperature, SANS and SAXS results reveal disordered, charge-correlated nanostructures that are strongly influenced by blend composition and temperature. At low concentrations of charge polymer, the scattering is dominated by concentration fluctuations, and the random phase approximation is applied to extract values of the Flory–Huggins interaction parameter, χ SC . At higher charged polymer content, concentration fluctuations are suppressed, and a correlation model is used to characterize the nanostructures of the charge correlations. We find that the structures of the charge correlations are highly dependent on blend composition─consistent with predictions from Sing’s self-consistent field theory-liquid state models. Understanding these features is essential for uncovering the ion transport mechanism that leads to improved electrochemical performance previously reported in SICPB systems.

25 ENERGY STORAGE↗
DOE OSTI2021

Multiplicative noise and the diffusion of conserved densities

Stochastic fluid dynamics governs the long time tails of hydrodynamic correlation functions, and the critical slowing down of relaxation phenomena in the vicinity of a critical point in the phase diagram. In this work we study the role of multiplicative noise in stochastic fluid dynamics. Multiplicative noise arises from the dependence of transport coefficients, such as the diffusion constants for charge and momentum, on fluctuating hydrodynamic variables. We study long time tails and relaxation in the diffusion of a conserved density (model B), and a conserved density coupled to the transverse momentum density (model H). Careful attention is paid to fluctuation-dissipation relations. We observe that multiplicative noise contributes at the same order as non-linear interactions in model B, but is a higher order correction to the relaxation of a scalar density and the tail of the stress tensor correlation function in model H.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Direct measurement of thermal Knudsen forces in rarefied gas environments

At micro- and nanoscales, momentum transfer between surfaces is influenced by various physical mechanisms, including quantum fluctuations, electromagnetic interactions, electric charges, and the dynamics of (rarefied) gases. Under non-isothermal conditions, rarefied gases give rise to thermal Knudsen forces whose magnitudes strongly depend on the gas species and surface characteristics. Knudsen forces are particularly relevant in nanotechnology, optical manipulation, and aerospace systems, where gas rarefaction occurs due to highly confined geometries, sub-micrometer length scales, and reduced particle densities. Despite their significance, predictive modeling of Knudsen forces is limited by a lack of comprehensive experimental data across diverse materials and surface morphologies. Here, in this work, we present a highly sensitive and adaptable measurement platform capable of directly quantifying Knudsen forces using a suspended, interchangeable micro-cantilever within controlled rarefied helium and nitrogen environments. The system integrates optical fiber interferometry to precisely capture out-of-plane displacements at sub-micrometer resolution, driven by Knudsen forces. From the empirical data, we derive a robust correlation linking the magnitudes of Knudsen forces to energy accommodation coefficients, offering deeper insights into the underlying gas–surface interaction mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Glue in hadrons at medium resolution and the QCD instanton vacuum

We discuss a general framework for the evaluation of the gluonic form factors in light hadrons at low momentum transfer, in the QCD instanton vacuum. At medium resolution of the order of the inverse mean instanton size, the glue is mostly localized in single or pairs of pseudoparticles and globally constrained by the fluctuations of their topological charges. These pseudoparticles trap light quarks, giving rise to emerging multiflavor ’t Hooft interactions. We explicitly evaluate the gluonic scalar, pseudoscalar, energy-momentum tensor (EMT), and the leading C -odd and C -even three-gluon hadronic form factors, at next to leading order in the instanton density, including molecular clusters of like and unlike instantons. We use the results for the EMT to address the contribution of the gluons in Ji’s mass and spin sum rules, at low resolution. When evolved, our results for the mass and spin composition of the nucleon are shown to be in good agreement with the recently reported lattice results at higher resolution. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

Structural features of solid-solid phase transitions and lattice dynamics in U 3 O 8

Triuranium octoxide (U 3 O 8 ) undergoes an orthorhombic to hexagonal structural phase transition near Ts=305°C, and a separate nonstructural phase transition at Tc=210°C. The later transition has previously been associated with temperature-induced fluctuations in the uranium oxidation state. A discontinuity in the slope of electrical conductivity versus temperature measurement at 210°C has supported this idea. The orthorhombic phase has three crystallographic sites in two distinct oxidation configurations [2 U(V) and 1 U(VI)], whereas the hexagonal phase has one distinct uranium site. High-resolution x-ray diffraction measurements eliminate the possibility of superlattice Bragg reflections to less than 0.2 e - scattering power and U 3 O 8 is not metallic; consequently, the presence of oxidation fluctuations is required for charge balancing. Interestingly, the order-to-disorder transition occurs at a much lower temperature than the structural transition. Using temperature-dependent x-ray diffraction and Raman spectroscopy, we show anisotropic lattice expansion in the in-plane b and c lattice constants. A specific discontinuity in the temperature derivatives of the b and c lattice constants are the first reported structural signatures of the order-to-disorder transition, suggestive of a change in local U–O coordination. Phonon frequencies of U 3 O 8 measured by Raman spectroscopy show significant temperature-dependent dynamics. Redshifting of several modes between 40 and 300°C cannot be explained by unit cell expansion alone because the unit cell volume decreases in this region. Instead, we show that phonon frequencies are highly correlated with the anisotropic lattice expansion/contraction along specific crystallographic directions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hybrid Simulation and Quasi-linear Theory of Bi-Kappa Proton Instabilities

The quasi-steady states of collisionless plasmas in space (e.g., in the solar wind and planetary environments) are governed by the interactions of charged particles with wave fluctuations. These interactions are responsible not only for the dissipation of plasma waves but also for their excitation. The present analysis focuses on two instabilities, mirror and electromagnetic ion cyclotron instabilities, associated with the same proton temperature anisotropy T ⊥ > T ∥ (where ⊥, ∥ are directions defined with respect to the local magnetic field vector). Theories relying on standard Maxwellian models fail to link these two instabilities (i.e., predicted thresholds) to the proton quasi-stable anisotropies measured in situ in a completely satisfactory manner. Here we revisit these instabilities by modeling protons with the generalized bi-Kappa (bi-κ power-law) distribution, and by a comparative analysis of a 2D hybrid simulation with the velocity-moment-based quasi-linear (QL) theory. It is shown that the two methods feature qualitative and, even to some extent, quantitative agreement. The reduced QL analysis based upon the assumption of a time-dependent bi-Kappa model thus becomes a valuable theoretical approach that can be incorporated into the present studies of solar wind dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Diffusion of ring current particles by low-frequency long-wavelength electrostatic oscillations.

The diffusion of charged particles by randomly fluctuating low-frequency long-wavelength electrostatic oscillations in the magnetosphere is investigated as a possible mechanism for transporting ring current particles. The diffusion process is assumed to preserve the first adiabatic invariant. The magnetosphere is represented by a simple model with cylindrical geometry. In the model the ionospheres are assumed to be perfectly conducting and the ring current is assumed to have a Maxwellian distribution of velocities. The electrostatic oscillations are treated as natural modes of the magnetospheric cavity which are driven by variations in the electric potential on the magnetopause. It is concluded that diffusion of ring current protons by this process is not important in the magnetosphere.

Maggs, J. E.↗
NASA NTRS1975

Motion of charged particles normal to an irregular magnetic field

The motion is analyzed of charged particles in a fluctuating magnetic field which varies only in directions normal to its mean direction, such as that which would be generated by an ensemble of magnetosonic waves propagating normal to an ambient magnetic field. The appropriate generalization of gradient-drift motion is derived in terms of the power spectrum of the magnetic fluctuations, and an effective spatial diffusion coefficient is obtained. Several special cases are considered, including a Gaussian power spectrum, a power-law spectrum with a cutoff, and a general power-law spectrum. A possible magnitude is calculated for the spatial diffusion coefficient of the solar wind.

Jokipii, J. R.↗
NASA NTRS2000

Quantum Corrections to the 'Atomistic' MOSFET Simulations

We have introduced in a simple and efficient manner quantum mechanical corrections in our 3D 'atomistic' MOSFET simulator using the density gradient formalism. We have studied in comparison with classical simulations the effect of the quantum mechanical corrections on the simulation of random dopant induced threshold voltage fluctuations, the effect of the single charge trapping on interface states and the effect of the oxide thickness fluctuations in decanano MOSFETs with ultrathin gate oxides. The introduction of quantum corrections enhances the threshold voltage fluctuations but does not affect significantly the amplitude of the random telegraph noise associated with single carrier trapping. The importance of the quantum corrections for proper simulation of oxide thickness fluctuation effects has also been demonstrated.

Asenov, Asen↗
DOE OSTI2020

Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?

Classical force fields are essential for computer simulations of proteins and are typically parameterized to reproduce secondary and tertiary structure of isolated proteins. However, while protein-protein interactions are ubiquitous in nature, they are not considered in parameterization efforts and are far less understood than isolated proteins. A better characterization of intermolecular interactions is widely recognized as a key to revolutionizing drug and therapeutic developments with high-throughput computational screening. Urgently needed is a critical assessment of the performance of modern protein force fields against first-principles electronic structure methods and experiments. In a daring step toward this goal, we here describe a comparison of peptide folding dynamics as predicted by a molecular mechanics force field on the one hand and by an approximate electronic structure quantum mechanical (QM) method based on density-functional tight-binding (DFTB) on the other. We further compare the dynamics from straightforward DFTB simulations with a near-linear scaling version of DFTB for massively parallel computation based on the fragment molecular orbital (FMO-DFTB) method. We illustrate differences between the phenomenology of the folding dynamics from these three methods for a small model peptide, as well as charge polarization and dynamic fluctuations, point out possible correlations and implications for force field developers, and discuss the lessons learned that might become applicable to future predictive high-throughput computer screening for personalized neoantigen cancer therapy.

Irle, Stephan↗