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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Revealing the short-range structure of the mirror nuclei 3 H and 3 He

When protons and neutrons (nucleons) are bound into atomic nuclei, they are close enough to feel significant attraction, or repulsion, from the strong, short-distance part of the nucleon-nucleon interaction. These strong interactions lead to hard collisions between nucleons, generating pairs of highly energetic nucleons referred to as short-range correlations (SRCs). SRCs are an important but relatively poorly understood part of nuclear structure, and mapping out the strength and the isospin structure (neutron-proton (np) versus proton-proton (pp) pairs) of these virtual excitations is thus critical input for modelling a range of nuclear, particle and astrophysics measurements. Two-nucleon knockout or 'triple coincidence' reactions have been used to measure the relative contribution of np-SRCs and pp-SRCs by knocking out a proton from the SRC and detecting its partner nucleon (proton or neutron). These measurements have shown that SRCs are almost exclusively np pairs, but they had limited statistics and required large model-dependent final-state interaction corrections. Here we report on measurements using inclusive scattering from the mirror nuclei hydrogen-3 and helium-3 to extract the np/pp ratio of SRCs in systems with a mass number of three. In this work we obtain a measure of the np/pp SRC ratio that is an order of magnitude more precise than previous experiments, and find a marked deviation from the near-total np dominance observed in heavy nuclei. This result implies an unexpected structure in the high-momentum wavefunction for hydrogen-3 and helium-3. Understanding these results will improve our understanding of the short-range part of the nucleon-nucleon interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Nanorod Pair Complexes Manipulated via Magnetic Casimir Forces

Here, we demonstrate a route to modulate Casmir–Lifshitz interactions between anisotropic nanoparticles and magnetic fluids. By semiclassical quantum electrodynamics, we study ground state dispersion forces for cylindrical dielectric nanorods made of polystyrene (PS) and zinc oxide (ZnO) embedded in toluene-based host media with gold-coated magnetite nanoparticles and also predict magnetic contributions to the fully retarded excited state interaction. The variation in magnetic permeability enables tuning between repulsive and attractive interactions, and measurable magnetic Casimir traps are predicted between a pair of ZnO–PS nanoparticles whose equilibrium position can be modulated over an order of magnitude with a small variation in the size of the magnetite nanoparticle. This provides an alternative magnetic Casimir-effect pathway to reversibly tune quantum electromagnetic forces at the nanoscale for the assembly and enhancement of colloidal stability.

Excited-state interaction↗
DOE OSTI2015

Relativistic description of pair production of doubly heavy baryons in e{sup +}e{sup −} annihilation

Relativistic corrections in the pair production of S-wave doubly heavy diquarks in electron-positron annihilation were calculated on the basis of perturbative QCD and the quark model. The relativistic corrections to the wave functions for quark bound states were taken into account with the aid of the Breit potential in QCD. Relativistic effects change substantially the nonrelativistic cross sections for pair diquark production. The yield of pairs of (ccq) doubly heavy baryons at B factories was estimated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Investigation of Single and Pair Production of J/ψ Particles in the D0 Experiment at the Tevatron Accelerator

In this paper, the results of investigation of single and pair production of J/ψ mesons in the D0 experiment at the Tevatron accelerator are considered. The contributions of single and double parton interactions to the total cross section of the pair production of J/ψ mesons are estimated for the first time. With the help of these measurements, the effective cross section of double parton interactions σ{sub eff} was calculated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Attractive Su-Schrieffer-Heeger-Hubbard model on a square lattice away from half-filling

The Su-Schrieffer-Heeger (SSH) model, with bond phonons modulating electron tunneling, is a paradigmatic electron-phonon model that hosts an antiferromagnetic order to bond order transition at half-filling. In the presence of a repulsive Hubbard interaction, the antiferromagnetic phase is enhanced, but the phase transition remains first order. Here, we explore the physics of the SSH model with an attractive Hubbard interaction, which hosts an interesting interplay among charge order, s-wave pairing, and bond order. Using the numerically exact determinant quantum Monte Carlo method, we show that both charge order, present at weak electron-phonon coupling, and bond order, at large coupling, give way to s-wave pairing when the system is doped. Lastly, we demonstrate that the SSH electron-phonon interaction competes with the attractive Hubbard interaction and reduces the s-wave pairing correlation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Numerical studies of interacting vortices

To get a basic understanding of the physics of flowfields modeled by vortex filaments with finite vortical cores, systematic numerical studies of the interactions of two dimensional vortices and pairs of coaxial axisymmetric circular vortex rings were made. Finite difference solutions of the unsteady incompressible Navier-Stokes equations were carried out using vorticity and stream function as primary variables. Special emphasis was placed on the formulation of appropriate boundary conditions necessary for the calculations in a finite computational domain. Numerical results illustrate the interaction of vortex filaments, demonstrate when and how they merge with each other, and establish the region of validity for an asymptotic analysis.

Liu, G. C.↗
DOE OSTI2021

An IFU View of the Active Galactic Nuclei in MaNGA Galaxy Pairs

The role of active galactic nuclei (AGNs) during galaxy interactions and how they influence the star formation in the system are still under debate. We use a sample of 1156 galaxies in galaxy pairs or mergers (hereafter "pairs") from the MaNGA survey. This pair sample is selected by the velocity offset, projected separation, and morphology, and is further classified into four cases along the merger sequence based on morphological signatures. We then identify a total of 61 (5.5%) AGNs in pairs based on the emission-line diagnostics. No evolution of the AGN fraction is found, either along the merger sequence or compared to isolated galaxies (5.0%). We observe a higher fraction of passive galaxies in galaxy pairs, especially in the pre-merging cases, and associate the higher fraction to their environmental dependence. The isolated AGN and AGNs in pairs show similar distributions in their global stellar mass, star-formation rate (SFR), and central [O iii] surface brightness. AGNs in pairs show radial profiles of increasing specific SFR and declining Dn4000 from center to outskirts, and no significant difference from the isolated AGNs. This is clearly different from star-forming galaxies (SFGs) in our pair sample, which show enhanced central star formation, as reported before. AGNs in pairs have lower Balmer decrements at outer regions, possibly indicating less dust attenuation. Our findings suggest that AGNs are likely follow an inside-out quenching and the merger impact on the star formation in AGNs is less prominent than in SFGs.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Study of the formation, evolution, and decay of shocks in the heliosphere between 0.5 and 30.0 AU

The spatial and temporal evolution of corotating interaction regions is examined between 0.5 and 30 AU using a solar-wind simulation with a continuous sinusoidally varying velocity, density, and temperature input pulse train. The well-known formation of forward-reverse MHD shock ensembles is followed by their interaction, which results in a highly nonlinear 'pressure' wave that eventually reforms into a new but more irregular set of forward-reverse shock pairs. As a result of these compound interactions, the overall temperature decays much more slowly than the classical steady-state adiabatic radial dependency of R BXP -4/3.

Smith, Z. K.↗
DOE OSTI2022

Formation of the N≡N Triple Bond from Reductive Coupling of a Paramagnetic Diruthenium Nitrido Compound

Construction of nitrogen–nitrogen triple bonds via homocoupling of metal nitrides is an important fundamental reaction relevant to a potential Nitrogen Economy. Here, we report that room temperature photolysis of Ru 2 (chp) 4 N 3 (chp– = 2-chloro-6-hydroxypyridinate) in CH 2 Cl 2 produces N 2 via reductive coupling of Ru2(chp)4N nitrido species. Computational analysis reveals that the nitride coupling transition state (TS) features an out-of-plane “zigzag” geometry instead of the anticipated planar zigzag TS. However, with intentional exclusion of dispersion correction, the planar zigzag TS geometry can also be found. Both the out-of-plane and planar zigzag TS geometries feature two important types of orbital interactions: (1) donor–acceptor interactions involving intermolecular donation of a nitride lone pair into an empty Ru–N π* orbital and (2) Ru–N π to Ru–N π* interactions derived from coupling of nitridyl radicals. The relative importance of these two interactions is quantified both at and after the TS. Our analysis shows that both interactions are important for the formation of the N–N σ bond, while radical coupling interactions dominate the formation of N–N π bonds. Comparison is made to isoelectronic Ru 2 -oxo compounds. Formation of an O–O bond via bimolecular oxo coupling is not observed experimentally and is calculated to have a much higher TS energy. As a result, the major difference between the nitrido and oxo systems stems from an extremely large driving force, ~–500 kJ/mol, for N–N coupling vs a more modest driving force for O–O coupling, –40 to –140 kJ/mol.

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

Signatures of the attractive interaction in spin spectra of one-dimensional cuprate chains

Identifying the minimal model for cuprates is crucial for explaining the high- T c pairing mechanism. Recent photoemission experiments have suggested a significant near-neighbor attractive interaction V in cuprate chains, favoring pairing instability. To determine its strength, we systematically investigate the dynamical spin structure factors S ( q , ω ) using the density matrix renormalization group. Our analysis quantitatively reveals a notable softening in the two-spinon continuum, particularly evident in the intense spectrum at large momentum. This softening is primarily driven by the renormalization of the superexchange interaction, as determined by a comparison with the slave-boson theory. We also demonstrate the feasibility of detecting this spectral shift in thin-film samples using resonant inelastic x-ray scattering. Therefore, this provides a distinctive fingerprint for the attractive interaction, motivating future experiments to unveil essential ingredients in cuprates. Published by the American Physical Society 2024

Shen, Zecheng↗
DOE OSTI2020

New pair style for molecular dynamics package LAMMPS

This pair style will enable molecular dynamics simulations of hydrogen interaction with Fe-C steels. No such simulations are possible without such a pair style. This is significant because Fe-C steels are the most commonly used steels and improving their resistance to hydrogen embrittlement has attracted wide interests. SAND2020-12230 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Zhou, Xiaowang↗
DOE OSTI2016

Muon Neutrino Disappearance in NOvA with a Deep Convolutional Neural Network Classifier

The NuMI Off-axis Neutrino Appearance Experiment (NOvA) is designed to study neutrino oscillation in the NuMI (Neutrinos at the Main Injector) beam. NOvA observes neutrino oscillation using two detectors separated by a baseline of 810 km; a 14 kt Far Detector in Ash River, MN and a functionally identical 0.3 kt Near Detector at Fermilab. The experiment aims to provide new measurements of Δm 2 and θ23 and has potential to determine the neutrino mass hierarchy as well as observe CP violation in the neutrino sector. Essential to these analyses is the classification of neutrino interaction events in NOvA detectors. Raw detector output from NOvA is interpretable as a pair of images which provide orthogonal views of particle interactions. A recent advance in the field of computer vision is the advent of convolutional neural networks, which have delivered top results in the latest image recognition contests. This work presents an approach novel to particle physics analysis in which a convolutional neural network is used for classification of particle interactions. The approach has been demonstrated to improve the signal efficiency and purity of the event selection, and thus physics sensitivity. Early NOvA data has been analyzed (2.74×10 20 POT, 14 kt equivalent) to provide new best- fit measurements of sin 2 (θ23) = 0.43 (with a statistically-degenerate compliment near 0.60) and |Δm2 | = 2.48 × 10 -3 eV 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Light-Matter Interaction near the Schwinger Limit Using Tightly Focused Doppler-Boosted Lasers

Strong-field quantum electrodynamics (SF QED) is a burgeoning research topic dealing with electromagnetic fields comparable to the Schwinger field (≈1.32×10 18 V/m). While most past and proposed experiments rely on reaching this field in the rest frame of relativistic particles, the Schwinger limit could also be approached in the laboratory frame by focusing to its diffraction limit the light reflected by a plasma mirror irradiated by a multipetawatt laser. Here, we explore the interaction between such intense light and matter with particle-in-cell simulations. We find that the collision with a relativistic electron beam would enable the study of the nonperturbative regime of SF QED, while the interaction with a solid target leads to a profusion of SF QED effects that retroact on the interaction. In both cases, relativistic attosecond pair jets with high densities are formed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Identifying the electron–positron cascade regimes in high-intensity laser-matter interactions

Strong-field quantum electrodynamics predicts electron-seeded electron–positron pair cascades when the electric field in the rest-frame of the seed electron approaches the Sauter–Schwinger field, i.e. $\eta ={E}_{{\rm{RF}}}/{E}_{S}\sim 1$. Electrons in the focus of next generation multi-PW lasers are expected to reach this threshold. We identify three distinct cascading regimes in the interaction of counter-propagating, circularly-polarised laser pulses with a thin foil by performing a comprehensive scan over the laser intensity (from 10 23 to 5 × 10 24 W cm –2 ) and initial foil target density (from 10 26 to 10 31 m –3 ). For low densities and intensities the number of pairs grows exponentially. If the intensity and target density are high enough the number density of created pairs reaches the relativistically-corrected critical density, the pair plasma efficiently absorbs the laser energy (through radiation reaction) and the cascade saturates. If the initial density is too high, such that the initial target is overdense, the cascade is suppressed by the skin effect. Here, we derive a semi-analytical model which predicts that dense pair plasmas are endemic features of these interactions for intensities above 10 24 W cm –2 provided the target's relativistic skin-depth is longer than the laser wavelength. Further, it shows that pair production is maximised in near-critical-density targets, providing a guide for near-term experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Pairing and Short-Range Correlations in Nuclear Systems

The structure and density dependence of the pairing gap in infinite matter is relevant for astrophysical phenomena and provides a starting point for the discussion of pairing properties in nuclear structure. Short-range correlations can significantly deplete the available single-particle strength around the Fermi surface and thus provide a reduction mechanism of the pairing gap. Here, we study this effect in the singlet and triplet channels of both neutron matter and symmetric nuclear matter. Our calculations use phase-shift equivalent interactions and chiral two-body and three-body interactions as a starting point. We find an unambiguous reduction of the gap in all channels with very small dependence on the NN force in the singlet neutron matter and the triplet nuclear matter channel. In the latter channel, SRC alone provide a 50% reduction of the pairing gap.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Nonlinear quantum interferometric spectroscopy with entangled photon pairs

Here, we develop closed expressions for a time-resolved photon counting signal induced by an entangled photon pair in an interferometric spectroscopy setup. Superoperator expressions in Liouville-space are derived that can account for relaxation and dephasing induced by coupling to a bath. Interferometric setups mix matter and light variables non-trivially, which complicates their interpretation. We provide an intuitive modular framework for this setup that simplifies its description. Based on the separation between the detection stage and the light–matter interaction processes, we show that the pair entanglement time and the interferometric time-variables control the observed physics time scale. Only a few processes contribute in the limiting case of small entanglement time with respect to the sample response, and specific contributions can be singled out.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Correlated metals and unconventional superconductivity in rhombohedral trilayer graphene: A renormalization group analysis

Here, motivated by recent experimental observations of correlated metallic phases and superconductivity in rhombohedral trilayer graphene (RTG), we perform an unbiased study of electronic ordering instabilities in hole-doped RTG. Specifically, we focus on electronic states energetically proximate to Van Hove singularities (VHSs), where a large density of states promotes different interaction-induced symmetry-breaking electronic orders. To resolve the Fermi surface near VHSs, we construct a fermionic hot-spot model and demonstrate that a perpendicular electric field can tune different nesting structures of the Fermi surface. Subsequently, we apply a renormalization group analysis to describe the low-energy phase diagrams of our model under both short-range repulsive interactions as well as realistic (long-range) Coulomb interactions. Our analysis shows instabilities towards either intervalley coherent metallic phases or superconducting phases. The dominant pairing channel depends crucially on the nature of Fermi surface nesting—repulsive Coulomb interaction favors spin-singlet d-wave pairing for relatively small displacement field and spin-singlet i-wave pairing for larger displacement field. We argue that the phase diagram of RTG can be well-understood by modeling the realistic Coulomb interaction as the sum of repulsive density-density interaction and ferromagnetic spin-triplet intervalley coherence (IVC) Hund's coupling, while phonon-mediated electronic interactions have a negligible effect on this system, in sharp contrast to twisted graphene multilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The Energetic Origins of Pi–Pi Contacts in Proteins

Accurate potential energy models of proteins must describe the many different types of noncovalent interactions that contribute to a protein’s stability and structure. Pi–pi contacts are ubiquitous structural motifs in all proteins, occurring between aromatic and nonaromatic residues and play a nontrivial role in protein folding and in the formation of biomolecular condensates. Guided by a geometric criterion for isolating pi–pi contacts from classical molecular dynamics simulations of proteins, we use quantum mechanical energy decomposition analysis to determine the molecular interactions that stabilize different pi–pi contact motifs. We find that neutral pi–pi interactions in proteins are dominated by Pauli repulsion and London dispersion rather than repulsive quadrupole electrostatics, which is central to the textbook Hunter–Sanders model. This results in a notable lack of variability in the interaction profiles of neutral pi–pi contacts even with extreme changes in the dielectric medium, explaining the prevalence of pi-stacked arrangements in and between proteins. We also find interactions involving pi-containing anions and cations to be extremely malleable, interacting like neutral pi–pi contacts in polar media and like typical ion–pi interactions in nonpolar environments. Like-charged pairs such as arginine–arginine contacts are particularly sensitive to the polarity of their immediate surroundings and exhibit canonical pi–pi stacking behavior only if the interaction is mediated by environmental effects, such as aqueous solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗