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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Axial H-Bonding Solvent Controls Inhomogeneous Spectral Broadening, While Peripheral H-Bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol

The dynamics of the nuclei of both a chromophore and its condensed-phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral line shapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore–solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both chromophore and its condensed-phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral line shapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore–solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both force field and ab initio molecular dynamics trajectories along with the inclusion of only certain solvent molecules in the excited-state calculations, we determine that the methanol molecules axial to the chromophore are responsible for the majority of inhomogeneous broadening, with a single methanol molecule that forms an axial hydrogen bond dominating the response. Furthermore, the strong peripheral hydrogen bonds do not contribute to spectral broadening, as they are very stable throughout the dynamics and do not lead to increased energy-gap fluctuations. We also find that treating the strong peripheral hydrogen bonds as molecular mechanical point charges during the molecular dynamics simulation underestimates the vibronic coupling. Including these peripheral hydrogen bonding methanol molecules in the quantum-mechanical region in a geometry optimization increases the vibronic coupling, suggesting that a more advanced treatment of these strongly interacting solvent molecules during the molecular dynamics trajectory may be necessary to capture the full vibronic spectral broadening.

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

Measurements of jet cross-section ratios in 13 TeV proton-proton collisions with ATLAS

Measurements of jet cross-section ratios between inclusive bins of jet multiplicity are performed in 140 fb -1 of proton-proton collisions with √s = 13 TeV center-of-mass energy, recorded with the ATLAS detector at CERN’s Large Hadron Collider. These ratios are constructed from double-differential cross-section measurements that are made in bins of jet multiplicity and other observables that are sensitive the energy scale and angular distribution of radiation due to the strong interaction in the final state. Additionally, the scalar sum of the two leading jets’ transverse momenta is measured triple differentially, in bins of the third jet’s transverse momentum and of jet multiplicity. These measurements are unfolded to account for acceptance and detector-related effects. The measured distributions are used to construct ratios of the inclusive jet-multiplicity bins, which have been shown to be sensitive to the strong coupling Formula Presented while being less sensitive than other observables to systematic uncertainties and parton distribution functions. The measured distributions are compared with state-of-the-art QCD calculations, including next-to-next-to-leading-order predictions for two- and three-jet events. These predictions are generally found to model the data well and perform best in bins with a modest requirement on the third jet’s transverse momentum. Significant differences between data and Monte Carlo predictions are observed in events with large rapidity gaps and invariant masses of the leading jet pair. Studies leading to reduced jet energy scale uncertainties significantly improve the precision of this work and are documented herein.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Heavy-ion collisions - hot QCD in a lab

High-energy heavy-ion collisions provide a unique opportunity to study the properties of the hot and dense strongly-interacting system composed of deconfined quarks and gluons -- the quark-gluon plasma (QGP) -- in laboratory conditions. The formation of a QGP is predicted by lattice QCD calculations as a crossover transition from hadronic matter (at zero baryochemical potential) and is expected to take place once the system temperature reaches values above 155 MeV and/or the energy density above $0.5~\mathrm{GeV}/\mathrm{fm}^{3}$. The nature of such a strongly coupled QGP has been linked to the early Universe at some microseconds after the Big Bang. To characterize the physical properties of the short-lived matter (lifetime of about $10~\mathrm{fm}/c$) experimental studies at Relativistic Heavy-Ion Collider and the Large Hadron collider use auto-generated probes, such as high-energy partons created early in the hadronic collisions, thermally emitted photons, and a set of particle correlations that are sensitive to the collective expansion and the dynamics of the system. The lectures briefly introduced some of the experimental techniques and provided a glimpse at some of the results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Scale genesis and gravitational wave in a classically scale invariant extension of the standard model

We assume that the origin of the electroweak (EW) scale is a gauge-invariant scalar-bilinear condensation in a strongly interacting non-abelian gauge sector, which is connected to the standard model via a Higgs portal coupling. The dynamical scale genesis appears as a phase transition at finite temperature, and it can produce a gravitational wave (GW) background in the early Universe. We find that the critical temperature of the scale phase transition lies above that of the EW phase transition and below few O(100) GeV and it is strongly first-order. We calculate the spectrum of the GW background and find the scale phase transition is strong enough that the GW background can be observed by DECIGO.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Structure and dynamics of ILs-based gel polymer electrolytes and its enhanced conductive properties with the incorporation of Al 2 O 3 nanofibers

Here, this work reports the enhanced mobility of ions in ionic liquid (IL)-based gel polymer electrolytes (GPEs) with the incorporation of Al 2 O 3 nanofibers. A combination of PVDF-HFP, EMIMTFSI and LiTFSI with 3 wt% Al 2 O 3 nanofibers has been prepared through solution casting technique. The room temperature ionic conductivity of PVDF-HFP: ILs electrolyte (45:55, weight ratio of 0.82) (GPE) is found to be 2.7 × 10 –5 S cm –1 , which increases up to 7.8 × 10 –5 S cm –1 in Al 2 O 3 containing GPE (Al-GPE). Pulsed field gradient (PFG) NMR results validate the increased ionic conductivity observed in Al-GPE. We found that the diffusivity of Li + , TFSI – and EMIM + increases when Al 2 O 3 nanofibers are well-distributed in the GPE matrix. The surface morphology and the amorphicity of GPEs are examined through SEM and XRD analyses. Lastly, the local structure of Al 2 O 3 fibers and the molecular-level interactions of ions with polymer, and their effect on the diffusivity of ions are established through solid-state NMR detecting 27 Al, 1 H, 13 C, 19 F nuclei including 2D 13 C{ 1 H} HETCOR NMR experiments. The 13 C DPMAS and CPMAS experiments highlight the dynamic heterogeneity associated with the ions that are embedded in the rigid and the mobile phase of GPEs. While some of the ionic species strongly interact with polymer chains in the rigid environment, the majority of them reside in the mobile phase and contribute to the overall increased conductivity. Most importantly, Al 2 O 3 nanofibers significantly affect the dynamics of ionic species that are present in the mobile phase between the polymer chains.

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

Topological heavy fermions in magnetic field

The recently introduced topological heavy fermion model (THFM) provides a means for interpreting the low-energy electronic degrees of freedom of the magic angle twisted bilayer graphene as hybridization amidst highly dispersing topological conduction and weakly dispersing localized heavy fermions. In order to understand the Landau quantization of the ensuing electronic spectrum, a generalization of THFM to include the magnetic field B is desired, but currently missing. Here we provide a systematic derivation of the THFM in B and solve the resulting model to obtain the interacting Hofstadter spectra for single particle charged excitations. While naive minimal substitution within THFM fails to correctly account for the total number of magnetic subbands within the narrow band i.e., its total Chern number, our method—based on projecting the light and heavy fermions onto the irreducible representations of the magnetic translation group— reproduces the correct total Chern number. Analytical results presented here offer an intuitive understanding of the nature of the (strongly interacting) Hofstadter bands.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Exchange-correlation magnetic fields in spin-density-functional theory

In spin-density-functional theory for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The significance of the xc magnetic fields is not very well explored; in particular, they can give rise to local torques on the magnetization, which are absent in standard local and semilocal approximations. We obtain exact benchmark solutions for two electrons on four-site extended Hubbard lattices over a wide range of interaction strengths, and compare exact xc potentials and magnetic fields with approximations obtained from orbital-dependent xc functionals. Here, the xc magnetic fields turn out to play an increasingly important role as systems becomes more and more correlated and the electrons begin to localize; the effects of the xc torques, however, remain relatively minor. The approximate xc functionals perform overall quite well, but tend to favor symmetry-broken solutions for strong interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1981

Mass loss from interacting close binary systems

The three well-defined classes of evolved binary systems that show evidence of present and/or past mass loss are the cataclysmic variables, the Algols, and Wolf-Rayet stars. It is thought that the transformation of supergiant binary systems into the very short-period cataclysmic variables must have been a complex process. The new evidence that has recently been obtained from the far ultraviolet spectra that a certain subclass of the Algols (the Serpentids) are undergoing fairly rapid evolution is discussed. It is thought probable that the remarkable mass outflow observed in them is connected with a strong wind powered by accretion. The origin of the circumbinary clouds or flat disks that probably surround many strongly interacting binaries is not clear. Attention is also given to binary systems with hot white dwarf or subdwarf components, such as the symbiotic objects and the BQ stars; it is noted that in them both components may be prone to an enhanced stellar wind.

Plavec, M. J.↗
NASA NTRS1986

Self-consistent modelling of the polar thermosphere and ionosphere to magnetospheric convection and precipitation (invited review)

It has recently been demonstrated that the dramatic effects of plasma precipitation and convection on the composition and dynamics of the polar thermosphere and ionosphere include a number of strong interactive, or feedback, processes. To aid the evaluation of these feedback processes, a joint three dimensional time dependent global model of the Earth's thermosphere and ionosphere was developed in a collaboration between University College London and Sheffield University. This model includes self consistent coupling between the thermosphere and the ionosphere in the polar regions. Some of the major features in the polar ionosphere, which the initial simulations indicate are due to the strong coupling of ions and neutrals in the presence of strong electric fields and energetic electron precipitation are reviewed. The model is also able to simulate seasonal and Universal time variations in the polar thermosphere and ionospheric regions which are due to the variations of solar photoionization in specific geomagnetic regions such as the cusp and polar cap.

Rees, D.↗
DOE OSTI2023

Minimal one-dimensional model of bad metal behavior from fast particle-hole scattering

A strongly interacting plasma of linearly dispersing electron and hole excitations in two spatial dimensions (2D), also known as a Dirac fluid, can be captured by relativistic hydrodynamics and shares many universal features with other quantum critical systems. Here, we propose a one-dimensional (1D) model to capture key aspects of the 2D Dirac fluid while including lattice effects and being amenable to nonperturbative computation. When interactions are added to the Dirac-like 1D dispersion without opening a gap, we show that this kind of irrelevant interaction is able to preserve Fermi-liquid-like quasiparticle features while relaxing a zero-momentum charge current via collisions between particle-hole excitations, leading to resistivity that is linear in temperature via a mechanism previously discussed for large-diameter metallic carbon nanotubes. We further provide a microscopic lattice model and obtain numerical results via density-matrix renormalization group simulations, which support the above physical picture. The limits on such fast relaxation at strong coupling are of considerable interest because of the ubiquity of bad metals in experiments.

1-dimensional systems↗
DOE OSTI2021

Ruling Out the Onset of Color Transparency up to Q2 = 14.2 GeV2 in Quasielastic 12C(e,e'p) Scattering

Color Transparency (CT) is a prediction of QCD that at high momentum transfer Q2, a system of quarks which would normally interact strongly with nuclear matter could form a small color-neutral object whose compact transverse size would be maintained for some distance, passing through the nucleus undisturbed. A clear signature of CT would be a dramatic rise in nuclear transparency T with increasing Q2. CT emerges as a deviation from Glauber multiple scattering theory, which predicts constant T. While a rise in nuclear transparency would provide an unequivocal validation of QCD factorization theorems, the complex nature of nuclear interactions renders its observation difficult to predict. The E12-06-107 experiment at JLab measured T in quasielastic electron-proton scattering with carbon-12 and liquid hydrogen targets, for Q2 between 8.0 and 14.2 GeV2 , a range over which models of CT predicted that T might differ appreciably from Glauber calculations. Supported in part by US DOE grant DE-FG02-03ER41240.

Matter, John↗
DOE OSTI2019

The energetics of phosphoric acid interactions reveals a new acid loss mechanism

Acid retention of phosphoric acid (PA)-doped proton exchange membranes (PEMs) is one of the critical factors that determine the durability of high temperature PEM fuel cells. However, the mechanism of PA loss in the PEMs in the presence of water is obscure in the context of the energetics of the PA cluster. Here, we study the energetics of PA-benzimidazole acid-base and biphosphate-ammonium ion pairs using density functional theory calculations and 31P NMR experiments to propose a novel PA loss mechanism. The results suggest that the removal of the PA from the membrane does not occur due to the strong interaction of PA-water, but due to the incapability of the base polymers to hold the water and PA beyond a certain level. Significantly higher interaction in the biphosphate-ammonium ion pair shifts the equilibrium PA composition in the PA cluster to higher values, which minimizes the PA loss in the presence of water. Introducing the high interaction with PA molecules provides a path for better PEM design that may allow using high temperature PEM fuel cells with excellent acid retention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Organismic materials for beyond von Neumann machines

The elementary basis of intelligence in organisms with a central nervous system includes neurons and synapses and their complex interconnections forming neural circuits. In non-neural organisms such as slime mold with gel-like media, viscosity modulation enables adaptation to changing environments. At a larger scale, collective intelligence emerges via social interactions and feedback in animal colonies. Learning and memory are therefore multi-scale features that evolve as a result of constant interactions with the environment. There is growing interest in emulating such features of intelligence in computing machines and autonomous systems. Materials that can respond to their environment in a manner similar to organisms (referred to as "organismic materials") therefore may be of interest as hardware components in artificial intelligence machines. In this brief review, we present a class of semiconductors called correlated oxides as candidates for learning machines. The term "correlated" refers to the fact that electrons in such lattices strongly interact and the ground state is not what is predicted by classical band theory. Such materials can undergo insulator-metal transitions at near ambient conditions under external stimuli such as thermal or electrical fields, strain, and chemical doping. Depending on the mechanism driving the transition, intermediate states can be metastable with different volatilities, and the time scales of phase change can be controlled over many orders of magnitude. The change in electronic properties can be sharp or gradual, leading to digital or analog behavior. These properties enable the realization of artificial neurons and synapses and emulate the associative and non-associative learning characteristics found in various organisms. We examine microscopic properties concerning electronic and structural transitions leading to collective behavior and theoretical treatments of the ground state and dynamical response, showcasing VO 2 as a model system. Next, we briefly review algorithms designed from the plasticity demonstrated by phase changing systems. Finally, we conclude the brief review with suggestions for future research toward realizing non-von Neumann machines.

42 ENGINEERING↗
DOE OSTI2017

Measurements of $$\pi ^\pm $$ π ± , K $$^\pm $$ ± , p and $${\bar{\text {p}}}$$ p ¯ spectra in proton-proton interactions at 20, 31, 40, 80 and 158 $$\text{ GeV }/c$$ GeV / c with the NA61/SHINE spectrometer at the CERN SPS: The NA61/SHINE Collaboration

Measurements of inclusive spectra and mean multiplicities of $\pi^\pm$, K$^\pm$, p and $\bar{\textrm{p}}$ produced in inelastic p+p interactions at incident projectile momenta of 20, 31, 40, 80 and 158 GeV/c ($\sqrt{s} = $ 6.3, 7.7, 8.8, 12.3 and 17.3 GeV, respectively) were performed at the CERN Super Proton Synchrotron using the large acceptance NA61/SHINE hadron spectrometer. Spectra are presented as function of rapidity and transverse momentum and are compared to predictions of current models. The measurements serve as the baseline in the NA61/SHINE study of the properties of the onset of deconfinement and search for the critical point of strongly interacting matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Strongly correlated itinerant magnetism near superconductivity in NiTa 4 Se 8

Metallic ferromagnets with strongly interacting electrons often exhibit remarkable electronic phases such as ferromagnetic superconductivity, complex spin textures, and nontrivial topology. Here, in this report, we discuss the synthesis of a layered magnetic metal NiTa 4 Se 8 (or Ni 1/4 TaSe 2 ) with a Curie temperature of 58 Kelvin. Magnetization data and density functional theory calculations indicate that the nickel atoms host uniaxial ferromagnetic order of about 0.7µ B per atom, while an even smaller moment is generated in the itinerant tantalum conduction electrons. Strong correlations are evident in flat bands near the Fermi level, a high heat capacity coefficient, and a high Kadowaki-Woods ratio. Density functional theory calculations suggest that electron and hole Fermi surfaces in the ferromagnetic phase are associated with opposite spin polarization. When the system is diluted of magnetic ions, the samples become superconducting below about 2 Kelvin. We discuss possible mechanisms for superconductivity in this family.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Tomography of ultrarelativistic nuclei with polarized photon-gluon collisions

A linearly polarized photon can be quantized from the Lorentz-boosted electromagnetic field of a nucleus traveling at ultrarelativistic speed. When two relativistic heavy nuclei pass one another at a distance of a few nuclear radii, the photon from one nucleus may interact through a virtual quark-antiquark pair with gluons from the other nucleus, forming a short-lived vector meson (e.g., ρ 0 ). In this experiment, the polarization was used in diffractive photoproduction to observe a unique spin interference pattern in the angular distribution of ρ 0 → π + π – decays. The observed interference is a result of an overlap of two wave functions at a distance an order of magnitude larger than the ρ0 travel distance within its lifetime. The strong-interaction nuclear radii were extracted from these diffractive interactions and found to be 6.53 ± 0.06 fm ( 197 Au) and 7.29 ± 0.08 fm ( 238 U), larger than the nuclear charge radii. The observable is demonstrated to be sensitive to the nuclear geometry and quantum interference of nonidentical particles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Detection of Extreme Phenomena in the Stable Boundary Layer over the Amazonian Forest

We apply different methods for detection of extreme phenomena (EP) in air-turbulent time series measured in the nocturnal boundary layer above the Amazon forest. The methods used were: (a) a Morlet complex wavelet transform, which is often used in analysis of non-linear application processes. Through the use of the wavelet, it is possible to observe a phase singularity that involves a strong interaction between an extensive range of scales; (b) recurrence plot tests, which were used to identify a sudden change between different stable atmospheric states. (c) statistical analysis of early-warning signals, which verify simultaneous increases in the autocorrelation function and in the variance in the state variable; and (d) analysis of wind speed versus turbulent kinetic energy to identify different turbulent regimes in the stable boundary layer. We found it is adequate to use a threshold to classify the cases of strong turbulence regime, as a result of the occurrence of EP in the tropical atmosphere. All methods used corroborate and indicate synergy between events that culminate in what we classify as EP of the stable boundary layer above the tropical forest.

54 ENVIRONMENTAL SCIENCES↗