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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Investigation into the crystal structure–dielectric property correlation in barium titanate nanocrystals of different sizes

For high capacitance multilayer ceramic capacitors, high dielectric constant and lead-free ceramic nanoparticles are highly desired. However, as the particle size decreases to a few tens of nanometers, their dielectric constant significantly decreases, and the underlying mechanism has yet to be fully elucidated. Herein, we report a systematic investigation into the crystal structure–dielectric property relationship of combustion-made BaTiO 3 (BTO) nanocrystals. When the nanocrystal size was 100 nm and below, a metastable paraelectric cubic phase was found in the as-received BTO (denoted as arBTO) nanocrystals based on an X-ray diffraction (XRD) study. A stable ferroelectric tetragonal phase was present when the nanocrystal size was above 200 nm. Notably, the cubic arBTO (particle size ≤100 nm) exhibited tetragonal fluctuations as revealed by Raman spectroscopy, whereas the tetragonal arBTO (particle size ≥200 nm) contained ~10% cubic fraction according to the Rietveld fitting of the XRD profiles. Thermal annealing of the multi-grain tetragonal arBTO at 950 °C yielded single crystals of annealed BTO (denoted as anBTO), whose dielectric constants were higher than those of arBTO. However, the single crystalline anBTO prevented the formation of 90° domains; therefore, they exhibited a low dielectric constant of ~300. Although X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy could not identify the exact structural defects, our study revealed that surface and bulk defects formed during synthesis affect the final crystal structures and thus the dielectric properties of BTO nanocrystals with different sizes. Finally, the understanding obtained from this study will help us design high dielectric constant perovskite nanocrystals for next-generation multilayer ceramic capacitor applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Determining processing behaviour of pure Cu in laser powder bed fusion using direct micro-calorimetry

We report copper is challenging to process by laser powder bed fusion (LPBF) given its high reflectivity at common infrared laser diode wavelengths and high thermal conductivity. Successful deposition of copper in a predictable and repeatable fashion relies on understanding the development of the keyhole melting regime, as well as heating, melting, boiling and vapour formation behaviour when interacting with a laser beam within an LPBF environment. In this study, in situ optical absorptivity measurements are used to clarify the complex physics of the laser material interaction. Absorptivity of laser energy is measured using direct micro-calorimetry and compared to melt pool depth in correlation to processing parameters. The measured absorptivity for a 100 μm layer thickness of powder was found to be approximately four times higher than that of the bare polished discs. It was also shown that high laser power above 500 W and scan speed up to 150 mm/s are appropriate for effective melting of the powder layer, with these parameters overcoming the threshold required to achieve keyhole melting. This is explained by multiple reflections withing the powder particles and the lower thermal conductivity of packed powder in comparison to bare discs. Melt pool formation was found to be highly unstable and an explosive behavior was observed when in the keyhole regime, caused by high fluctuations in absorptivity values. This work demonstrates calorimetry can be used to monitor melting behaviour in a real-time fashion during processing for this challenging to process material, thereby avoiding unnecessary parametric optimisation. In addition, the parametric window for optimum processing revealed here can inform future work.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Application of strong fluctuation random medium theory to scattering of electromagnetic waves from a half-space of dielectric mixture

The strong fluctuation random medium theory is applied to calculate scattering from a half-space of dielectric mixture. The first and second moments of the fields are calculated, respectively, by using the bilocal and the distorted Born approximations, and the low frequency limit is taken. The singularity of the dyadic Green's function is taken into account. Expressions for the effective permittivity for the full space case are derived. It is shown that the derived result of the effect permittivity is identical to that of the Polder and van Santern mixing formula. The correlation function of the random medium is obtained by using simple physical arguments and is expressed in terms of the fractional volumes and particle sizes of the constituents of the mixture. Backscattering coefficients of a half-space dielectric mixture are also calculated. Numerical results of the effective permittivity and backscattering coefficients are illustrated using typical parameters encountered in microwave remote sensing of dry and wet snow. It is also shown that experimental data can be matched with the theory by using physical parameters of the medium as obtained from ground truth measurements.

Tsang, L.↗
DOE OSTI2021

Quantum mechanical out-of-time-ordered-correlators for the anharmonic (quartic) oscillator

Out-of-time-ordered correlators (OTOCs) have been suggested as a means to study quantum chaotic behavior in various systems. In this work, I calculate OTOCs for the quantum mechanical anharmonic oscillator with quartic potential, which is classically integrable and has a Poisson-like energy-level distribution. For low temperature, OTOCs are periodic in time, similar to results for the harmonic oscillator and the particle in a box. For high temperature, OTOCs exhibit a rapid (but power-like) rise at early times, followed by saturation consistent with 2 < x 2 >T < p 2 > T at late times. At high temperature, the spectral form factor decreases at early times, bounces back and then reaches a plateau with strong fluctuations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Exact Landau Level Description of Geometry and Interaction in a Flatband

Flatbands appear in many condensed matter systems, including the two-dimensional electron gas in a high magnetic field, correlated materials, and moiré heterostructures. They are characterized by intrinsic geometric properties such as the Berry curvature and Fubini-Study metric. The influence of the band geometry on electron-electron interaction is difficult to understand analytically because the geometry is in general nonuniform in momentum space. In this work, we study the topological flatband of Chern number C = 1 with a momentum-dependent but positive definite Berry curvature that fluctuates in sync with Fubini-Study metric. We derive an exact correspondence between such ideal flatbands and Landau levels and show that the band geometry fluctuation gives rise to a new type of interaction in the corresponding Landau levels that depends on the center of mass of two particles. We characterize such interactions by generalizing the usual Haldane pseudopotentials. This mapping gives exact zero-energy ground states for short-ranged repulsive generalized pseudopotentials in flatbands, in analogy to fractional quantum Hall systems. Driving the center-of-mass interactions beyond the repulsive regime leads to a dramatic reconstruction of the ground states towards gapless phases. The generalized pseudopotential could be a useful basis for future numerical studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Characterizing the initial state and dynamical evolution in XeXe and PbPb collisions using multiparticle cumulants

For the first time, correlations among mixed-order moments of two or three flow harmonics —( v n k , v m l ) and ( v n k , v m l , v p q ), with k, l, and q denoting the respective orders—are measured in xenon–xenon (XeXe) collisions and compared with lead–lead (PbPb) results, providing a novel probe of collective behavior in heavy ion collisions. These measurements compare a nearly spherical, doubly-magic 208 Pb nucleus to a triaxially deformed 129 Xe nucleus, emphasizing the sensitivity to initial-state geometry fluctuations arising from nuclear deformation. The dependence of these results (v n , n = 2 , 3 , 4 ) on the shape and size of the nuclear overlap region is studied. Comparisons between v 2 , v 3 , and v 4 demonstrate the importance of v 3 and v 4 in exploring the nonlinear hydrodynamic response of the quark-gluon plasma (QGP) to the initial spatial anisotropy. The results constrain initial-state model parameters that influence the evolution of the QGP. The CMS detector was used to collect XeXe and PbPb data at nucleon-nucleon center-of-mass energies of S N N = 5.44 and 5.36 TeV, respectively. Correlations are extracted using multiparticle mixed-harmonic cumulants (up to eight-particle cumulants) with charged particles in the pseudorapidity range |η| < 2.4 and transverse momentum range 0.5 < p T < 3 GeV/c.

CMS↗
DOE OSTI2023

Proton Number Cumulants and Correlation Functions from Hydrodynamics and the QCD Phase Diagram

We analyze the behavior of (net-)proton number cumulants in central collisions of heavy ions across a broad collision energy range by utilizing hydrodynamic simulations. The calculations incorporate essential non-critical contributions to proton fluctuations such as repulsive baryonic core and exact baryon-number conservation. The experimental data are consistent with non-critical physics at collision energies of √SNN ≥ 20 GeV. The data from the STAR and HADES collaborations at lower collision energies indicate an excess of (multi-)proton correlations over the non-critical reference. This observation is discussed in the context of different mechanisms, including the possibility of a critical point in the baryon-rich region of the QCD phase diagram.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Angular correlations of cosmic microwave background spectrum distortions from photon diffusion

ABSTRACT During cosmic recombination, charged particles bind into neutral atoms and the mean free path of photons rapidly increases, resulting in the familiar diffusion damping of primordial radiation temperature variations. An additional effect is a small photon spectrum distortion, because photons arriving from a particular sky direction were originally in thermal equilibrium at various spatial locations with different temperatures; the combination of these different blackbody temperature distributions results in a spectrum with a Compton y-distortion. Using the approximation that photons had zero mean free path prior to their second-to-last scattering, we derive an expression for the resulting y-distortion, and compute the angular correlation function of the diffusion y-distortion and its cross-correlation with the square of the photon temperature fluctuation. Detection of the cross-correlation is within reach of existing arcminute-resolution microwave background experiments such as the Atacama Cosmology Telescope and the South Pole Telescope.

Astronomy & Astrophysics↗
DOE OSTI2020

Open quantum systems and Schwinger-Keldysh holograms

We initiate the study of open quantum field theories using holographic methods. Specifically, we consider a quantum field theory (the system) coupled to a holographic field theory at finite temperature (the environment). We investigate the effects of integrating out the holographic environment with an aim of obtaining an effective dynamics for the resulting open quantum field theory. The influence functionals which enter this open effective action are determined by the real-time (Schwinger-Keldysh) correlation functions of the holographic thermal environment. To evaluate the latter, we exploit recent developments, wherein the semiclassical gravitational Schwinger-Keldysh saddle geometries were identified as complexified black hole spacetimes. We compute real-time correlation functions using holographic methods in these geometries, and argue that they lead to a sensible open effective quantum dynamics for the system in question, a question that hitherto had been left unanswered. In addition to shedding light on open quantum systems coupled to strongly correlated thermal environments, our results also provide a principled computation of Schwinger-Keldysh observables in gravity and holography. In particular, these influence functionals we compute capture both the dissipative physics of black hole quasi- normal modes, as well as that of the fluctuations encoded in outgoing Hawking quanta, and interactions between them. We obtain results for these observables at leading order in a low frequency and momentum expansion in general dimensions, in addition to determining explicit results for two dimensional holographic CFT environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Convergence of Cloud Droplet Spectral Relative Dispersion During Entrainment‐Mixing Based on Particle‐Resolved Direct Numerical Simulations

Entrainment-mixing processes critically impact cloud microphysical properties, but their effects on the relative dispersion (d) of cloud droplet size distributions (CDSDs) remain elusive. A direct numerical simulation model is initialized with different CDSDs to fill the gap. These results show that d decreases for broad CDSDs and increases for narrow ones, ultimately converging to approximately 0.5 regardless of initial CDSDs during the evaporation-dominated mixing stage. The supersaturation fluctuation and the shape of CDSDs jointly influence the convergence behavior of d. Further sensitivity tests show that the initial microphysical/dynamical/thermodynamical conditions exert negligible effects on the final converged value of d but affect the convergence rate (k). The k generally increases with increasing droplet number concentration and dissipation rate, and increases with decreasing liquid water content, relative humidity of entrained air, and mixing fraction of cloudy air. A conceptual model with two timescales is proposed; k and the timescales are negatively correlated, meaning that slow mixing and/or evaporation process results in slow convergence of d. In conclusion, this finding provides an important reference for improving understanding and parameterization of d during the entrainment-mixing processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Burns space and holography

We elaborate on various aspects of our top-down celestial holographic duality wherein the semiclassical bulk spacetime is a 4d asymptotically flat, self-dual Kähler geometry known as Burns space. The bulk theory includes an open string sector comprising a 4d WZW model and a closed string sector called “Mabuchi gravity” capturing fluctuations of the Kähler potential. Starting with the type I topological B-model on the twistor space of flat space, we obtain the twistor space of Burns space from the backreaction of a stack of N coincident D1 branes, while the chiral algebra is obtained from (a twist of) the brane worldvolume theory. One striking consequence of this duality is that all loop-level scattering amplitudes of the theory on Burns space can be expressed as correlation functions of an explicit 2d chiral algebra.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Azimuthal and axial structures in 3D particle-in-cell simulation of Penning discharge

We report the results of a 3D particle-in-cell simulation of cylindrical Penning discharge with the axial magnetic field in the so-called reflex configuration, where the cathode and anti-cathode are biased to the same negative potential. The discharge is supported by thermal electron emission from the cathode. Electron and ion collisions, including ionization, are fully accounted for. The emphasis is on a specific regime in which the plasma potential at the center of the discharge is positive with respect to the chamber walls, serving as an anode. Spatial and temporal scales of the observed azimuthal and axial fluctuations and structures are characterized. It is suggested that azimuthal structures are caused by the dissipative gradient-drift instability. We find that the axial fluctuations related to the plasma-beam instabilities are weakly correlated with the azimuthal perturbations of the density, so that the azimuthal modes rotate as a whole and do not show any axial shear. The behavior of the electric potential is more involved, demonstrating intermittent standing wave and propagating structures in the axial direction that modulate the electron transport, producing the standing wave pattern (along the z-direction) in the radial electron flux.

3D PIC simulation of discharge↗
DOE OSTI2021

Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices

Due to the presence of non-linear equations, iterative Green’s function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular solutions was not performed before. In this work, we use two-particle density matrices to investigate local spin and charge correlators that quantify the charge resonance and covalent characters of these solutions. When applied within the unrestricted orbital set, spin correlators elucidate the broken symmetry of the solutions, containing necessary information for building effective magnetic Hamiltonians. Based on GW and GF2 calculations of simple molecules and transition metal complexes, we construct Heisenberg Hamiltonians, four-spin-four-center corrections, and biquadratic spin–spin interactions. These Hamiltonian parameterizations are compared to previous wave-function calculations.

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

Relativistic spin dynamics for vector mesons

We propose a relativistic theory for spin density matrices of vector mesons based on Kadanoff-Baym equations in the closed-time-path formalism. The theory puts the calculation of spin observables such as the spin density matrix element ρ 00 for vector mesons on a solid ground. Within the theory we formulate ρ 00 for ϕ mesons into a factorization form in separation of momentum and spacetime variables. We argue that the main contribution to ρ 00 at lower energies should be from the ϕ fields that can polarize the strange quark and antiquark in the same way as electromagnetic fields. The key observation is that there is correlation inside the ϕ meson wave function between the ϕ field that polarizes the strange quark and that polarizes the strange antiquark. This is reflected by the fact that the contributions to ρ 00 are all in squares of fields that are nonvanishing even if the fields may strongly fluctuate in spacetime. The fluctuation of strong force fields can be extracted from ρ 00 of unflavored vector mesons as links to fundamental properties of quantum chromodynamics. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Laser-induced fluorescence measurements of ion fluctuations in electron and ion presheaths

Electrostatic flow-driven instabilities have been predicted in the presheath region of low-temperature plasmas for both ion and electron rich sheaths. The ion-acoustic fluctuations that arise from these instabilities can influence transport through an enhanced collision rate. In this work, ion fluctuation spectra were measured using laser-induced fluorescence (LIF) in the presheath region for both sheath polarities. Furthermore, the non-invasive nature of LIF compared to that of probes is particularly valuable for these measurements because the sheath and presheath around a probe may generate their own flow-driven instabilities, which obscure the measurement. Measurements were made using a recently implemented field programmable gate array-based system able to measure ion fluctuation spectra up to 1 MHz using a two-point correlation function technique. Narrow bandwidth ion fluctuations were observed near 0:46 f pi (460 kHz) for both sheath polarities, where f pi is the ion plasma frequency. The observed fluctuations were significantly stronger in the electron sheath case and were observed over a larger volume of plasma. Fluctuations were measured in the ion sheath case at locations far enough from the sheath that linear theory predicts stability, suggesting that ion-acoustic instabilities generated in the relatively small unstable region near the boundary reflect from the sheath and perturb a much larger volume of the plasma. This is expected to affect probes with both ion and electron rich sheaths, meaning any dc biased probe may effectively act as an ion-acoustic wave antenna. These measurements are consistent with the recent theory and particle-in-cell results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2014

Correlation of ISS Electric Potential Variations with Mission Operations

Orbiting approximately 400 km above the Earth, the International Space Station (ISS) is a unique research laboratory used to conduct ground-breaking science experiments in space. The ISS has eight Solar Array Wings (SAW), and each wing is 11.7 meters wide and 35.1 meters long. The SAWs are controlled individually to maximize power output, minimize stress to the ISS structure, and minimize interference with other ISS operations such as vehicle dockings and Extra-Vehicular Activities (EVA). The Solar Arrays are designed to operate at 160 Volts. These large, high power solar arrays are negatively grounded to the ISS and collect charged particles (predominately electrons) as they travel through the space plasma in the Earth's ionosphere. If not controlled, this collected charge causes floating potential variations which can result in arcing, causing injury to the crew during an EVA or damage to hardware [1]. The environmental catalysts for ISS floating potential variations include plasma density and temperature fluctuations and magnetic induction from the Earth's magnetic field. These alone are not enough to cause concern for ISS, but when they are coupled with the large positive potential on the solar arrays, floating potentials up to negative 95 Volts have been observed. Our goal is to differentiate the operationally induced fluctuations in floating potentials from the environmental causes. Differentiating will help to determine what charging can be controlled, and we can then design the proper operations controls for charge collection mitigation. Additionally, the knowledge of how high power solar arrays interact with the environment and what regulations or design techniques can be employed to minimize charging impacts can be applied to future programs.

Willis, Emily M.↗
NASA NTRS1999

CUSP Energetic Particles: Confinement, Acceleration and Implications

The cusp energetic particle (CEP) event is a new magnetospheric phenomenon. The events were detected in the dayside cusp for hours, in which the measured helium ions had energies up to 8 MeV. All of these events were associated with a dramatic decrease and large fluctuations in the local magnetic field strength. During January 1999 - December 1999 covered by this report, I have studied the CEP events by analyzing the POLAR, GEOTAIL, and WIND particle and magnetic field data measured during the geomagnetic quiet periods in 1996 and one geomagnetic storm period in 1998. The simultaneous observations indicated that the ion fluxes in the CEP events were higher than that in both the upstream and the downstream from the bow shock. The pitch angle distribution of the helium ions in the CEP events was found to peak around 90 deg. It was found that the mirror parameter, defined as the ratio of the square root of the integration of the parallel turbulent power spectral component over the ultra-low frequency (ULF) ranges to the mean field in the cusp, is correlated with the intensity of the cusp MeV helium flux, which is a measure of the influence of mirroring interactions and an indication of local effect. It was also found that the turbulent power of the local magnetic field in the ultra-low frequency (ULF) ranges is correlated with the intensity of the cusp energetic helium ions. Such ULF ranges correspond to periods of about 0.33-500 seconds that cover the gyroperiods, the bounce periods, and the drift periods of the tens keV to MeV charged particles when they are temporarily confined in the high-altitude dayside cusp. These observations represent a discovery that the high-altitude dayside cusp is a new acceleration and dynamic trapping region of the magnetosphere. The cusp geometry is connected via gradient and curvature drift of these energized ions to the equatorial plasma sheet as close as the geostationary orbit at local midnight. It implies that the dayside cusp is potentially an important source of magnetospheric particles. The discovery of the CEP events has been recognized as one of the most significant results from POLAR. I was invited to give a talk at 1999 IUGG meeting to interpret the CEP events. This discovery has also been written into the web-based Space Physics Text Book (http://www.oulu.fi/- spaceweb/textbook/cusp.html).

Chen, Jiasheng↗
DOE OSTI2020

Quantal diffusion approach for multinucleon transfer processes in the 58,64 Ni + 208 Pb reactions: Toward the production of unknown neutron-rich nuclei

In recent years, substantial efforts have been made for the study of multinucleon transfer reactions at energies around the Coulomb barrier both experimentally and theoretically, aiming at the production of unknown neutron-rich heavy nuclei. It is crucial to provide reliable theoretical predictions based on microscopic theories with sufficient predictive power. Purpose: This article aims to clarify the applicability of the quantal diffusion approach based on the stochastic mean-field (SMF) theory for multinucleon transfer processes. Isotope production cross sections are evaluated for the reactions of 64 Ni + 208 Pb at E c.m. = 268 MeV and 58 Ni + 208 Pb at E c.m. = 270 MeV and are compared with available experimental data. Methods: Three-dimensional time-dependent Hartree-Fock (TDHF) calculations are carried out for a range of initial orbital angular momenta with Skyrme SLy4d functional. Quantal diffusion equations, derived based on the SMF theory, for variances and covariance of neutron and proton numbers of reaction products are solved, with microscopic drift and diffusion coefficients obtained from time evolution of occupied single-particle orbitals in TDHF. Secondary de-excitation processes, both particle evaporation and fission, are simulated by a statistical compound-nucleus de-excitation model, gemini++. Dynamics of a fast isospin equilibration process followed by a slow drift toward the mass symmetry are commonly observed, as expected. Various reaction outcomes are evaluated, including average mass and charge numbers of reaction products, total kinetic energy loss (TKEL), scattering angle, contact time, and production cross sections for primary and secondary products. By comparing with the experimental data, we find that SMF and TDHF quantitatively reproduce experimental data for few-nucleon-transfer channels around the average values. In contrast, for many-nucleon-transfer channels, we find that the SMF approach provides much better description of the experimentally measured isotopic distributions. The results underline the importance of beyond-mean-field effects, especially one-body (mean-field) fluctuations and correlations, in describing multinucleon transfer processes. Moreover, through a combined analysis of SMF with a statistical model, gemini++, we find a significant contribution of transfer-induced fission, which is consistent with the experimental observation. In some cases, the SMF approach overestimates the isotopic width, requiring further improvements of the theoretical description. Possible ways to improve the description are discussed. The SMF approach is designed to describe the quantum many-body problem according to an ensemble of mean-field trajectories, taking into account part of many-body correlations in the description. As it requires feasible computational costs comparable to the ordinary TDHF approach, together with further model improvements, it will be a promising tool in the search for optimal reaction conditions to produce yet-unknown neutron-rich heavy nuclei through the multinucleon transfer reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗