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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Anomalous ellipticity dependence of the generation of near-threshold harmonics in noble gases

We measured the ellipticity dependence of the harmonic yield of He, Ne, Ar, Kr, and Xe. It is found that the harmonic yield in general decreases monotonically with increasing laser ellipticity but anomalous dependence does occur for each atom for some harmonic orders. Additionally, we found that the degree of anomaly is weakest in helium but is stronger for the heavier atoms. The anomaly also depends on laser intensity. To explain these features, we developed a quantum trajectory Monte Carlo (QTMC) model based on the quantum path integral theory to study high-order harmonic generation (HHG). The model includes the effect of Coulomb potential from the target ion, thus it is capable of calculating near-threshold harmonics quantitatively. This model reveals that the presence of Coulomb potential would generate orbiting trajectories which are responsible for the anomalous ellipticity dependence near the threshold.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Deep learning for electron and scanning probe microscopy: From materials design to atomic fabrication

Machine learning and artificial intelligence (ML/AI) are rapidly becoming an indispensable part of physics research, with applications ranging from theory and materials prediction to high-throughput data analysis. In parallel, the recent successes in applying ML/AI methods for autonomous systems from robotics through self-driving cars to organic and inorganic synthesis are generating enthusiasm for the potential of these techniques to enable automated and autonomous experiment in imaging. Here, we discuss recent progress in application of machine learning methods in scanning transmission electron microscopy and scanning probe microscopy, from applications such as data compression and exploratory data analysis to physics learning to atomic fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-order finite element method for atomic structure calculations

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schrödinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. Here, to address the slow convergence of the $κ=±1$ states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10 -8 Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schrödinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Kolmogorov-Arnold wavefunctions

Here, this work investigates Kolmogorov-Arnold network-based (KAN) wave-function Ansätz as viable representations for quantum Monte Carlo simulations. Through systematic analysis of one-dimensional model systems, we evaluate their computational efficiency and representational power against established methods. Our numerical experiments suggest some efficient training methods and we explore how the computational cost scales with desired precision, particle number, and system parameters. Roughly speaking, KANs seem to be 10 times cheaper computationally than other neural-network-based Ansätz . We also introduce a novel approach for handling strong short-range potentials—a persistent challenge for many numerical techniques—which generalizes efficiently to higher-dimensional, physically relevant systems with short-ranged strong potentials common in atomic and nuclear physics.

1-dimensional systems↗
DOE OSTI2023

X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2

Abstract Structural imaging of transient excited-state species is a key goal of molecular physics, promising to unveil rich information about the dynamics underpinning photochemical transformations. However, separating the electronic and nuclear contributions to the spectroscopic observables is challenging, and typically requires the application of high-level theory. Here, we employ site-selective ionisation via ultrashort soft X-ray pulses and time-resolved Coulomb explosion imaging to interrogate structural dynamics of the ultraviolet photochemistry of carbon disulfide. This prototypical system exhibits the complex motifs of polyatomic photochemistry, including strong non-adiabatic couplings, vibrational mode couplings, and intersystem crossing. Immediately following photoexcitation, we observe Coulomb explosion signatures of highly bent and stretched excited-state geometries involved in the photodissociation. Aided by a model to interpret such changes, we build a comprehensive picture of the photoinduced nuclear dynamics that follows initial bending and stretching motions, as the reaction proceeds towards photodissociation.

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

Atomic-Scale Modulation of Synthetic Magnetic Order in Oxide Superlattices

We report atomic-scale precision control of magnetic interactions facilitates a synthetic spin order useful for spintronics, including advanced memory and quantum logic devices. Conventional modulation of synthetic spin order has been limited to metallic heterostructures that exploit Ruderman–Kittel–Kasuya–Yosida interaction through a nonmagnetic metallic spacer; however, they face issues arising from Joule heating and/or electric breakdown. The practical realization and observation of a synthetic spin order across a nonmagnetic insulating spacer will lead to the development of spin-related devices with a completely different concept. Herein, the atomic-scale modulation of the synthetic spiral spin order in oxide superlattices composed of ferromagnetic metal and nonmagnetic insulator layers is reported. The atomically controlled superlattice exhibits an oscillatory magnetic behavior, representing the existence of a spiral spin structure. Depth-sensitive polarized neutron reflectometry evidences modulated spiral spin structures as a function of the nonmagnetic insulator layer thickness. Atomic-scale customization of the spin state can move the field one step further to actual spintronic applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Measurement of differential $ b\overline{b} $- and $ c\overline{c} $-dijet cross-sections in the forward region of pp collisions at $ \sqrt{s} $ = 13 TeV

The inclusive \( b\overline{b} \) - and \( c\overline{c} \) -dijet production cross-sections in the forward region of pp collisions are measured using a data sample collected with the LHCb detector at a centre-of-mass energy of 13 TeV in 2016. The data sample corresponds to an integrated luminosity of 1.6 fb - 1 . Differential cross-sections are measured as a function of the transverse momentum and of the pseudorapidity of the leading jet, of the rapidity difference between the jets, and of the dijet invariant mass. A fiducial region for the measurement is defined by requiring that the two jets originating from the two b or c quarks are emitted with transverse momentum greater than 20 GeV/ c , pseudorapidity in the range 2 . 2 < η < 4 . 2, and with a difference in the azimuthal angle between the two jets greater than 1.5. The integrated \( b\overline{b} \) -dijet cross-section is measured to be 53 . 0 ± 9 . 7 nb, and the total \( c\overline{c} \) -dijet cross-section is measured to be 73 ± 16 nb. The ratio between \( c\overline{c} \) - and \( b\overline{b} \) -dijet cross-sections is also measured and found to be 1 . 37 ± 0 . 27. The results are in agreement with theoretical predictions at next-to-leading order.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Measurement of the CKM angle γ in B ± → DK ± and B ± → Dπ ± decays with D → $ {K}_{\mathrm{S}}^0 $h + h -

A measurement of CP -violating observables is performed using the decays B ± → DK ± and B ± → Dπ ± , where the D meson is reconstructed in one of the self-conjugate three-body final states \( {K}_{\mathrm{S}}^0 \) π + π - and \( {K}_{\mathrm{S}}^0 \) K + K - (commonly denoted \( {K}_{\mathrm{S}}^0 \) h + h - ). The decays are analysed in bins of the D -decay phase space, leading to a measurement that is independent of the modelling of the D -decay amplitude. The observables are inter- preted in terms of the CKM angle γ . Using a data sample corresponding to an integrated luminosity of 9 fb - 1 collected in proton-proton collisions at centre-of mass energies of 7, 8, and 13 TeV with the LHCb experiment, γ is measured to be \( \left({68.7}_{-5.1}^{+5.2}\right){}^{\circ} \) . The hadronic parameters \( {r}_B^{D K},{r}_B^{D\pi},{\delta}_B^{D K},\kern0.5em \mathrm{and}\kern0.5em {\delta}_B^{D\pi} \) , which are the ratios and strong-phase differences of the suppressed and favoured B ± decays, are also reported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Observation of the ${B}_s^0 $ → D*±D∓ decay

A search for the B 0 → D *± D ∓ decay is performed using proton-proton collision data at centre-of-mass energies of 7, 8 and 13 TeV collected by the LHCb experiment, corresponding to an integrated luminosity of 9 fb -1 . The decay is observed with a high significance and its branching fraction relative to the B 0 → D *± D ∓ decay is measured to be $\frac{\mathrm{\mathcal{B}}\left({B}_s^0\to {D}^{\ast \pm }{D}^{\mp}\right)}{\mathrm{\mathcal{B}}\left({B}^0\to {D}^{\ast \pm }{D}^{\mp}\right)}=0.137\pm 0.017\pm 0.002\pm 0.006$, where the first uncertainty is statistical, the second systematic and the third is due to the uncertainty on the ratio of the $B_{s}^{0}$ and $B^{0}$ hadronisation fractions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Milli-magnetic monopole dark matter and the survival of galactic magnetic fields

A bstract Dark sectors with Abelian gauge symmetries can interact with ordinary matter via kinetic mixing. In such scenarios, magnetic monopoles of a broken dark U(1) will appear in our sector as confined milli-magnetically charged objects under ordinary electromagnetism. Halo ellipticity constraints are shown to significantly bound the strength of dark magnetic Coulomb monopole interactions. The bound magnetic monopole ground state, which in vacuum is stable and has no magnetic charge or moment, is shown to become quantum mechanically unstable in the presence of an external, ordinary magnetic field. If these states contribute sizably to the local dark matter density, they extract significant energy from the galactic magnetic field. We revise and extend this “Parker Bound” on galactic magnetic energy loss to milli-magnetic monopoles which leads to the strongest existing constraints on these states, satisfying our halo ellipticity bounds, over a wide range of magnetic monopole masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Measurement of CP observables in B ± → D (*) K ± and B ± → D (*) π ± decays using two-body D final states

Measurements of CP observables in B ± → D (*) K ± and B ± → D (*) π ± decays are presented, where D (&lowast;) indicates a neutral D or D &lowast; meson that is an admixture of meson and anti-meson states. Decays of the D (&lowast;) meson to the Dπ 0 and Dγ final states are partially reconstructed without inclusion of the neutral pion or photon. Decays of the D meson are reconstructed in the K ± π ∓ , K + K - , and π + π - final states. The analysis uses a sample of charged B mesons produced in proton-proton collisions and collected with the LHCb experiment, corresponding to integrated luminosities of 2.0, 1.0, and 5.7 fb -1 taken at centre-of-mass energies of 7, 8, and 13 TeV, respectively. The measurements of partially reconstructed B ± → D (*) K ± and B ± → D (&lowast;) π ± with D → K ∓ π ± decays are the first of their kind, and a first observation of the B ± → (Dπ 0 ) D &lowast; π ± decay is made with a significance of 6.1 standard deviations. All CP observables are measured with world-best precision, and in combination with other LHCb results will provide strong constraints on the CKM angle γ.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Semileptonic tau decays beyond the Standard Model

Hadronic τ decays are studied as probe of new physics. We determine the dependence of several inclusive and exclusive τ observables on the Wilson coefficients of the low-energy effective theory describing charged-current interactions between light quarks and leptons. The analysis includes both strange and non-strange decay channels. The main result is the likelihood function for the Wilson coefficients in the tau sector, based on the up-to-date experimental measurements and state-of-the-art theoretical techniques. The likelihood can be readily combined with inputs from other low-energy precision observables. We discuss a combination with nuclear beta, baryon, pion, and kaon decay data. In particular, we provide a comprehensive and model-independent description of the new physics hints in the combined dataset, which are known under the name of the Cabibbo anomaly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Determining the leading-order contact term in neutrinoless double β decay

We present a method to determine the leading-order (LO) contact term contributing to the nn → ppe - e - amplitude through the exchange of light Majorana neutrinos. Our approach is based on the representation of the amplitude as the momentum integral of a known kernel (proportional to the neutrino propagator) times the generalized forward Compton scattering amplitude n ( p 1 ) n ( p 2 ) W + ( k ) → \( p\left({p}_1^{\prime}\right)p\left({p}_2^{\prime}\right){W}^{-}(k) \) , in analogy to the Cottingham formula for the electromagnetic contribution to hadron masses. We construct model-independent representations of the integrand in the low- and high-momentum regions, through chiral EFT and the operator product expansion, respectively. We then construct a model for the full amplitude by interpolating between these two regions, using appropriate nucleon factors for the weak currents and information on nucleon-nucleon ( NN ) scattering in the 1 S 0 channel away from threshold. By matching the amplitude obtained in this way to the LO chiral EFT amplitude we obtain the relevant LO contact term and discuss various sources of uncertainty. We validate the approach by computing the analog I = 2 NN contact term and by reproducing, within uncertainties, the charge-independence-breaking contribution to the 1 S 0 NN scattering lengths. While our analysis is performed in the \( \overline{\mathrm{MS}} \) scheme, we express our final result in terms of the scheme-independent renormalized amplitude \( {\mathcal{A}}_{\nu}\left(\left|\mathbf{p}\right|,\left|\mathbf{p}^{\prime}\right|\right) \) at a set of kinematic points near threshold. We illustrate for two cutoff schemes how, using our synthetic data for \( {\mathcal{A}}_{\nu } \) , one can determine the contact-term contribution in any regularization scheme, in particular the ones employed in nuclear-structure calculations for isotopes of experimental interest.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Precision three-dimensional imaging of nuclei using recoil-free jets

In this study, we explore the azimuthal angle decorrelation of lepton-jet pairs in e-p and e-A collisions as a means for precision measurements of the three-dimensional structure of bound and free nucleons. Utilizing soft-collinear effective theory, we perform the first-ever resummation of this process in e-p collisions at NNLL accuracy using a recoil-free jet axis. Our results are validated against Pythia simulations. In e-A collisions, we address the complex interplay between three characteristic length scales: the medium length L, the mean free path of the energetic parton in the medium λ, and the hadronization length L h . We demonstrate that in the thin-dilute limit, where L $\ll$ L h and L ~ λ, this process can serve as a robust probe of the three-dimensional structure for bound nucleons. We conclude by offering predictions for future experiments at the Electron-Ion Collider within this limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Observation of a new baryon state in the $Λ^0_bπ^+π^-$ mass spectrum

A new baryon state is observed in the $Λ^0_bπ^+π^-$ mass spectrum with high significance using a data sample of pp collisions, collected with the LHCb detector at centre-of-mass energies $\sqrt{s}$ = 7, 8 and 13 TeV, corresponding to an integrated luminosity of 9 fb -1 . The mass and natural width of the new state are measured to be m = 6072.3 ± 2.9 ± 0.6 ± 0.2 MeV , Γ = 72 ± 11 ± 2 MeV , where the first uncertainty is statistical and the second systematic. The third uncertainty for the mass is due to imprecise knowledge of the $Λ^0_b$ baryon mass. The new state is consistent with the first radial excitation of the $Λ^0_b$ baryon, the Λ b (2S) 0 resonance. Updated measurements of the masses and the upper limits on the natural widths of the previously observed Λ b (5912) 0 and Λ b (5920) 0 states are also reported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Strong constraints on the b → sγ photon polarisation from B0 → K*0e+e-decays

An angular analysis of the B 0 → K* 0 e + e - decay is performed using a data sample corresponding to an integrated luminosity of 9 fb - 1 of pp collisions collected with the LHCb experiment. The analysis is conducted in the very low dielectron mass squared ( q 2 ) interval between 0 . 0008 and 0 . 257 GeV 2 , where the rate is dominated by the B 0 → K * 0 γ transition with a virtual photon. The fraction of longitudinal polarisation of the K * 0 meson, F L , is measured to be F L = (4 . 4 ± 2 . 6 ± 1 . 4)%, where the first uncertainty is statistical and the second systematic. The \( {A}_{\mathrm{T}}^{\mathrm{Re}} \) observable, which is related to the lepton forward-backward asymmetry, is measured to be \( {A}_{\mathrm{T}}^{\mathrm{Re}} \) = - 0 . 06 ± 0 . 08 ± 0 . 02. The \( {A}_{\mathrm{T}}^{(2)} \) and \( {A}_{\mathrm{T}}^{\mathrm{Im}} \) transverse asymmetries, which are sensitive to the virtual photon polarisation, are found to be \( {A}_{\mathrm{T}}^{(2)} \) = 0 . 11 ± 0 . 10 ± 0 . 02 and \( {A}_{\mathrm{T}}^{\mathrm{Im}} \) = 0 . 02 ± 0 . 10 ± 0 . 01. The results are consistent with Standard Model predictions and provide the world’s best constraint on the b → sγ photon polarisation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Vibrationally resolved ionization cross sections for the ground state and electronically excited states of the hydrogen molecule and its isotopomeres

An existing set of vibrationally resolved ionization cross section for the ground state and the first excited states of the hydrogen molecule, based on the Gryzinski method, is extended by cross sections for the isotopomeres of H{sub 2} (i.e. D{sub 2}, T{sub 2}, HD, HT, and DT), both for non-dissociative and dissociative ionizations. The comparison of cross sections for non-dissociative ionization of H{sub 2} with results obtained by the Molecular Convergent Close-Coupling method gives a very good agreement. The compiled tables give non-dissociative and dissociative cross sections for the ground state and the five energetically lowest electronically excited states of H{sub 2} and its isotopomeres, in each case for the first 9 vibrational levels. Data for all vibrational levels of the excited states is available online.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗