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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 OSTI2020

Frustration and Atomic Ordering in a Monolayer Semiconductor Alloy

Frustrated interactions can lead to short-range ordering arising from incompatible interactions of fundamental physical quantities with the underlying lattice. The simplest example is the triangular lattice of spins with antiferromagnetic interactions, where the nearest-neighbor spin-spin interactions cannot simultaneously be energy minimized. In this work, we show that engineering frustrated interactions is a possible route for controlling structural and electronic phenomena in semiconductor alloys. Using aberration-corrected scanning transmission electron microscopy in conjunction with density functional theory calculations, we demonstrate atomic ordering in a two-dimensional semiconductor alloy as a result of the competition between geometrical constraints and nearest-neighbor interactions. Statistical analyses uncover the presence of short-range ordering in the lattice. In addition, we show how the induced ordering can be used as another degree of freedom to considerably modify the band gap of monolayer semiconductor alloys.

2-dimensional systems↗
DOE OSTI2019

Precise branching ratio measurement for the superallowed β+ decay of 26 Si: Completion of a second mirror pair

As part of a continuing effort to test the unitarity of the Cabbibo-Kobayashi-Maskawa matrix, we have measured the branching ratio for the superallowed 0 + → 0 + β + -decay transition from 26 Si to be 0.7569(14), a result with 0.18% relative precision. With this result, the ft value for the transition is now established with comparable precision to the well-known superallowed transitions currently used in the determination of V ud . Furthermore, it also completes a second pair of mirror superallowed transitions, 26 Si → 26m Al and 26m Al → 26 Mg, the ratio of whose measured ft values provides a sensitive test of the method used to calculate the isospin-symmetry-breaking correction δ C needed to determine V ud . Like the previously measured ratio for the mass-38 mirror pair, the new result agrees well with the calculation based on Woods-Saxon radial wave functions and strengthens the case for rejecting the calculation that uses Hartree-Fock radial functions.

20 ≤ A ≤ 38↗
DOE OSTI2019

Dispersive evaluation of the inner radiative correction in neutron and nuclear β decay

We propose a novel dispersive treatment of the so-called inner radiative correction to the neutron and nuclear β decay. We show that it requires knowledge of the parity-violating structure function $F$$^{(0)}_{3}$ that arises from the interference of the axial vector charged current and the isoscalar part of the electromagnetic current. By isospin symmetry, we relate this structure function to the charged current inelastic scattering of neutrinos and antineutrinos. Applying this new data-driven analysis we obtain a new, more precise evaluation for the universal radiative correction $Δ$$^{V,new}_{R}$ = 0.02467(22) that supersedes the previous estimate by Marciano and Sirlin, $Δ$$^{V}_{R}$ = 0.02361(38). The substantial shift in the central value of $Δ$$^{V}_{R}$ reflects in a respective shift of Vud and a considerable tension in the unitarity constraint on the first row of the Cabibbo-Kobayashi-Maskawa matrix which is used as one of the most stringent constraints on new physics contributions in the charged current sector. We also point out that dispersion relations offer a unifying tool for treating hadronic and nuclear corrections within the same framework. We explore the potential of the dispersion relations for addressing the nuclear structure corrections absorbed in the Ft values, a crucial ingredient alongside $Δ$$^{V}_{R}$ in extracting Vud from superallowed nuclear decays. In particular, we estimate the quenching of the free neutron Born contribution in the nuclear environment, corresponding to a quasielastic single-nucleon knockout, and find a significantly stronger quenching effect as compared to currently used estimates based on the quenching of spin operators in nuclear transitions. Furthermore, this observation suggests that the currently used theoretical uncertainties of Ft values might be underestimated and require a renewed scrutiny, while emphasizing the importance of new, more precise measurements of the free neutron decay where nuclear corrections are absent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Preliminary results in using Deep Learning to emulate BLOB, a nuclear interaction model

Purpose: A reliable model to simulate nuclear interactions is fundamental for Ion-therapy. We already showed how BLOB (“Boltzmann-Langevin One Body”), a model developed to simulate heavy ion interactions up to few hundreds of MeV/u, could simulate also 12 C reactions in the same energy domain. However, its computation time is too long for any medical application. For this reason we present the possibility of emulating it with a Deep Learning algorithm. Methods: The BLOB final state is a Probability Density Function (PDF) of finding a nucleon in a position of the phase space. We discretised this PDF and trained a Variational Auto-Encoder (VAE) to reproduce such a discrete PDF. As a proof of concept, we developed and trained a VAE to emulate BLOB in simulating the interactions of 12 C with 12 C at 62 MeV/u. To have more control on the generation, we forced the VAE latent space to be organised with respect to the impact parameter (b) training a classifier of b jointly with the VAE. Results: In this work, the distributions obtained from the VAE are similar to the input ones and the computation time needed to use the VAE as a generator is negligible. Conclusions: We show that it is possible to use a Deep Learning approach to emulate a model developed to simulate nuclear reactions in the energy range of interest for Ion-therapy. We foresee the implementation of the generation part in C++ and to interface it with the most used Monte Carlo toolkit: Geant4.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Predicting the neutrinoless double-β-decay matrix element of 136 Xe using a statistical approach

Calculation of the nuclear matrix elements (NMEs) for double-β decay is of paramount importance for guiding experiments and for analyzing and interpreting the experimental data, especially for the search of the neutrinoless double β decay mode (0v⁢ββ). However, there are currently still large differences between the NME values calculated by different methods, hence a quantification of their uncertainties is very much required. Here, in this paper, we propose a statistical analysis of 0⁢v⁢ββ NME for the 136 Xe isotope, based on the interacting shell model, but using three independent effective Hamiltonians, emphasizing the range of the NMEs' most probable values and its correlations with observables that can be obtained from the existing nuclear data. Consequently, we propose a common probability distribution function for the 0⁢vββ NME, which has a range of (1.55–2.65) at 90% confidence level, with a mean value of 1.99 and a standard deviation of 0.37.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Experimental evidence of plasmarons and effective fine structure constant in electron-doped graphene/h-BN heterostructure

Electron-electron interaction is fundamental in condensed matter physics and can lead to composite quasiparticles called plasmarons, which strongly renormalize the dispersion and carry information of electron-electron coupling strength as defined by the effective fine structure constant $α$ $^{*}_{ee}$. Although h-BN with unique dielectric properties has been widely used as an important substrate for graphene, so far there is no experimental report of plasmarons in graphene/h-BN yet. Here, we report direct experimental observation of plasmaron dispersion in graphene/h-BN heterostructures through angle-resolved photoemission spectroscopy (ARPES) measurements upon in situ electron doping. Characteristic diamond-shaped dispersion is observed near the Dirac cone in both 0° (aligned) and 13.5° (twisted) graphene/h-BN, and the electron-electron interaction strength $α$ $^{*}_{ee}$ is extracted to be $α$ $^{*}_{ee}$ ≈ 0.9 ± 0.1, highlighting the important role of electron-electron interaction. Our results suggest graphene/h-BN as an ideal platform for investigating strong electron-electron interaction with weak dielectric screening, and lays fundamental physics for gate-tunable nano-electronics and nano-plasmonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ab Initio Structure Factors for Spin-Dependent Dark Matter Direct Detection

We present converged ab initio calculations of structure factors for elastic spin-dependent WIMP scattering off all nuclei used in dark matter direct-detection searches: 19 F, 23 Na, 27 Al, 29 Si, 73 Ge, 12 7I, and 129,131 Xe. From a set of established two- and three-nucleon interactions derived within chiral effective field theory, we construct consistent WIMP-nucleon currents at the one-body level, including effects from axial-vector two-body currents. We then apply the in-medium similarity renormalization group to construct effective valence-space Hamiltonians and consistently transformed operators of nuclear responses. Combining the recent advances of natural orbitals with three-nucleon forces expressed in large spaces, we obtain basis-space converged structure factors even in heavy nuclei. Generally results are consistent with previous calculations but large uncertainties in 127 I highlight the need for further study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances

Plasma treatment of per- and polyfluoroalkyl substances (PFAS) contaminated water is a potentially energy efficient remediation method. In this treatment, an atmospheric pressure plasma interacts with surface-resident PFAS molecules. Developing a reaction mechanism and modeling of plasma–PFAS interactions requires fundamental data for electron–molecule reactions. In this paper, we present results of electron scattering calculations, potential energy landscapes and their implications for plasma modelling of a dielectric barrier discharge in PFAS contaminated gases, a first step towards modelling of plasma–water–PFAS intereactions. It is found that the plasma degradation of PFAS is dominated by dissociative electron attachment with the importance of other contributing processes varying depending on the molecule. All molecules posses a large number of shape resonances – transient negative ion states – from near-threshold up to ionization threshold. These states lie in the region of the most probable electron energies in the plasma (4–5 eV) and consequently are expected to further enhance the fragmentation dynamics in both dissociative attachment and dissociative excitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Global calculation of two-neutrino double- β decay within the finite amplitude method in nuclear density functional theory

Two-neutrino double-beta (2νββ) decay has been used to constrain the neutron-proton part of effective interactions, which in turn is used to compute the nuclear matrix elements for neutrinoless double-beta decay, the observation of which would have important consequences for fundamental physics. We carefully examine 2νββ matrix elements within the proton-neutron quasiparticle random-phase approximation with nuclear energy density functionals. Here we work with functionals that are fit globally to single-beta-decay half-lives and charge-exchange giant-resonance energies, but not to 2νββ half-lives themselves, to evaluate the 2νββ nuclear matrix elements for all important nuclei, including those whose half-lives have not yet been measured. Such a comprehensive evaluation in large model spaces without configuration truncation requires an efficient computational scheme; we employ a double contour integration within the finite amplitude method. The results generally reproduce the nuclear matrix element extracted from half-lives well, without the use of any of those half-lives in the fitting procedure. We present predictions of the matrix elements in a total of 27 nuclei with half-lives that are still unmeasured.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Parity-violating inelastic electron-proton scattering at low Q 2 above the resonance region

We report the measurement of the parity-violating asymmetry for the inelastic scattering of electrons from the proton, at $Q^2 = 0.082$ GeV$^2$ and $ W = 2.23$ GeV, above the resonance region. The result $A_{\rm Inel} = - 13.5 \pm 2.0 ({\rm stat}) \pm 3.9 ({\rm syst})$ ppm agrees with theoretical calculations, and helps to validate the modeling of the $\gamma Z$ interference structure functions $F_1^{\gamma Z}$ and $F_2^{\gamma Z}$ used in those calculations, which are also used for determination of the two-boson exchange box diagram ($\Box_{\gamma Z}$) contribution to parity-violating elastic scattering measurements. A positive parity-violating asymmetry for inclusive $\pi^-$ production was observed, as well as positive beam-normal single-spin asymmetry for scattered electrons and a negative beam-normal single-spin asymmetry for inclusive $\pi^-$ production.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

The relation between the fundamental scale controlling high-energy interactions of quarks and the proton mass

Quantum Chromodynamics (QCD) provides a fundamental description of the physics binding quarks into protons, neutrons, and other hadrons. QCD is well understood at short distances where perturbative calculations are feasible. Establishing an explicit relation between this regime and the large-distance physics of quark confinement has been a long-sought goal. A major challenge is to relate the parameter Λ s , which controls the predictions of perturbative QCD (pQCD) at short distances, to the masses of hadrons. Here we show how new theoretical insights into QCD's behavior at large and small distances lead to an analytical relation between hadronic masses and Λ s . The resulting prediction, Λ s = 0.341 ± 0.024 GeV agrees well with the experimental value 0.339 ± 0.016 GeV. Conversely, the experimental value of Λ s can be used to predict the masses of hadrons, a task which had so far only been accomplished through intensive numerical lattice calculations, requiring several phenomenological input parameters.

HEPPH↗
DOE OSTI2022

Measurements of H Λ 3 and H Λ 4 Lifetimes and Yields in Au + Au Collisions in the High Baryon Density Region

We report precision measurements of hypernuclei $^3_ΛH$ and $^4_ΛH$ lifetimes obtained from Au + Au collisions at $\sqrt{sNN}$ = 3.0 GeV and 7.2 GeV collected by the STAR experiment at the Relativistic Heavy Ion Collider, and the first measurement of $^3_ΛH$ and $^4_ΛH$ midrapidity yields in Au + Au collisions at $\sqrt{sNN}$ = 3.0 GeV. $^3_ΛH$ and $^4_ΛH$, being the two simplest bound states composed of hyperons and nucleons, are cornerstones in the field of hypernuclear physics. Their lifetimes are measured to be 221 ± 15 (stat) ± 19 (syst) ps for $^3_ΛH$ and 218 ± 6 (stat) ± 13 (syst) ps for $^4_ΛH$. The p T -integrated yields of $^3_ΛH$ and $^4_ΛH$ are presented in different centrality and rapidity intervals. It is observed that the shape of the rapidity distribution of $4_ΛH$ is different for 0%–10% and 10%–50% centrality collisions. Thermal model calculations, using the canonical ensemble for strangeness, describes the $^3_ΛH$ yield well, while underestimating the $^4_ΛH$ yield. Transport models, combining baryonic mean-field and coalescence (jam) or utilizing dynamical cluster formation via baryonic interactions (phqmd) for light nuclei and hypernuclei production, approximately describe the measured $^3_ΛH$ and $^4_ΛH$ yields. Our measurements provide means to precisely assess our understanding of the fundamental baryonic interactions with strange quarks, which can impact our understanding of more complicated systems involving hyperons, such as the interior of neutron stars or exotic hypernuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Electrostatics-Driven Hierarchical Buckling of Charged Flexible Ribbons

In this work, we investigate the rich morphologies of an electrically charged flexible ribbon, which is a prototype for many beltlike structures in biology and nanomaterials. Long-range electrostatic repulsion is found to govern the hierarchical buckling of the ribbon from its initially flat shape to its undulated and out-of-plane twisted conformations. In this process, the screening length is the key controlling parameter, suggesting that a convenient way to manipulate the ribbon morphology is simply to change the salt concentration. We find that these shapes originate from the geometric effect of the electrostatic interaction, which fundamentally changes the metric over the ribbon surface. We also identify the basic modes by which the ribbon reshapes itself in order to lower the energy. Finally, the geometric effect of the physical interaction revealed in this Letter has implications for the shape design of extensive ribbonlike materials in nano- and biomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Distinguishing Charged Lepton Flavor Violation Scenarios with Inelastic 𝜇 → 𝑒 Conversion

The Mu2e and COMET experiments are expected to improve existing limits on charged lepton flavor violation (CLFV) by roughly 4 orders of magnitude. 𝜇 → 𝑒 conversion experiments are typically optimized for electrons produced without nuclear excitation, as this maximizes the electron energy and minimizes backgrounds from the free decay of the muon. Here we argue that Mu2e and COMET will be able to extract additional constraints on CLFV from inelastic 𝜇 → 𝑒 conversion, given the 27 Al target they have chosen and backgrounds they anticipate. We describe CLFV scenarios in which inelastic CLFV can induce measurable distortions in the near-endpoint spectrum of conversion electrons, including cases where certain contributing operators cannot be probed in elastic 𝜇 → 𝑒 conversion. We extend the nonrelativistic EFT treatment of elastic 𝜇 → 𝑒 conversion to include the new nuclear operators needed for the inelastic process, evaluate the associated nuclear response functions, and describe several new-physics scenarios where the inelastic process can provide additional information on CLFV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Distinguishing attosecond electron–electron scattering and screening in transition metals

Electron–electron interactions are the fastest processes in materials, occurring on femtosecond to attosecond timescales, depending on the electronic band structure of the material and the excitation energy. Such interactions can play a dominant role in light-induced processes such as nano-enhanced plasmonics and catalysis, light harvesting, or phase transitions. However, to date it has not been possible to experimentally distinguish fundamental electron interactions such as scattering and screening. Here, we use sequences of attosecond pulses to directly measure electron–electron interactions in different bands of different materials with both simple and complex Fermi surfaces. By extracting the time delays associated with photoemission we show that the lifetime of photoelectrons from the d band of Cu are longer by ∼100 as compared with those from the same band of Ni. We attribute this to the enhanced electron–electron scattering in the unfilled d band of Ni. Using theoretical modeling, we can extract the contributions of electron–electron scattering and screening in different bands of different materials with both simple and complex Fermi surfaces. Our results also show that screening influences high-energy photoelectrons (≈20 eV) significantly less than low-energy photoelectrons. As a result, high-energy photoelectrons can serve as a direct probe of spin-dependent electron–electron scattering by neglecting screening. This can then be applied to quantifying the contribution of electron interactions and screening to low-energy excitations near the Fermi level. The information derived here provides valuable and unique information for a host of quantum materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

First detection in gamma-rays of a young radio galaxy: Fermi -LAT observations of the compact symmetric object PKS 1718−649

We report the γ -ray detection of a young radio galaxy, PKS 1718−649, belonging to the class of compact symmetric objects (CSOs), with the Large Area Telescope (LAT) on board the Fermi satellite. The third Fermi Gamma-ray LAT catalog (3FGL) includes an unassociated γ -ray source, 3FGL J1728.0−6446, located close to PKS 1718−649. Using the latest Pass 8 calibration, we confirm that the best-fit 1 σ position of the γ -ray source is compatible with the radio location of PKS 1718−649. Cross-matching of the γ -ray source position with the positions of blazar sources from several catalogs yields negative results. Thus, we conclude that PKS 1718−649 is the most likely counterpart to the unassociated LAT source. We obtain a detection test statistics TS ∼ 36 (>5 σ ) with a best-fit photon spectral index Γ = 2.9 ± 0.3 and a 0.1–100 GeV photon flux density F {sub 0.1−100} {sub GeV} = (11.5 ± 0.3) × 10{sup −9} ph cm{sup −2} s{sup −1}. We argue that the linear size (∼2 pc), the kinematic age (∼100 years), and the source distance ( z = 0.014) make PKS 1718−649 an ideal candidate for γ -ray detection in the framework of the model proposing that the most compact and the youngest CSOs can efficiently produce GeV radiation via inverse-Compton scattering of the ambient photon fields by the radio lobe non-thermal electrons. Thus, our detection of the source in γ -rays establishes young radio galaxies as a distinct class of extragalactic high-energy emitters and yields a unique insight on the physical conditions in compact radio lobes interacting with the interstellar medium of the host galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗