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At least 451 records · Page 25

First-principles study of the binding energy between nanostructures and its scaling with system size

The equilibrium van der Waals binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling behavior from first-principles calculations. We show that the equilibrium binding energy per atom between identical nanostructures can scale up or down with nanostructure size, but can be parametrized for large $\mathscr{N}$ with an analytical formula (in meV/atom), $E_b\mathscr{N} = a + b/\mathscr{N} + c/\mathscr{N}^2 + d/\mathscr{N}^3$ where $\mathscr{N}$ is the number of atoms in a nanostructure and $a, b, c$ and $d$ are fitting parameters, depending on the properties of a nanostructure. The formula is consistent with a finite large-size limit of binding energy per atom. We find that there are two competing factors in the determination of the binding energy: Nonadditivities of van der Waals coefficients and center-to-center distance between nanostructures. To decode the detail, the nonadditivity of the static multipole polarizability is investigated from an accurate spherical-shell model. Finally, we find that the higher-order multipole polarizability displays ultrastrong intrinsic nonadditivity, no matter if the dipole polarizability is additive or not.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Orientation of the intra-unit-cell magnetic moment in the high- T c superconductor HgBa 2 CuO 4+δ

Polarized-neutron diffraction (PND) experiments have revealed that the pseudogap state of the cuprates exhibits unusual intra-unit-cell (IUC) magnetism. At a qualitative level, the data indicate a moment direction that is neither perpendicular nor parallel to the CuO 2 layers, yet an accurate measurement at a high-symmetry momentum point in a structurally simple compound has been lacking. Such a measurement would be crucial, as it would help to narrow down the scenarios for the microscopic origin of the IUC magnetism. Here we report PND results with unprecedented accuracy for the IUC magnetic order in the simple-tetragonal single-CuO 2 -layer compound HgBa 2 CuO 4+δ . At the pseudogap temperature, we find evidence for magnetic critical scattering. Deep in the ordered state, we determine the moment direction to be 70° ± 10° away from the normal to the CuO 2 layers, which rules out both purely planar loop currents and high-symmetry Dirac multipoles, the two most prominent theoretical proposals for the microscopic origin of the IUC magnetism. Furthermore, the data are consistent with Dirac multipoles of lower symmetry or, alternatively, with a particular configuration of loop currents that flow on the faces of the CuO 6 octahedra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigation of the isoscalar response of 24 Mg to 6 Li scattering

24 Mg is a strongly deformed nucleus in the ground state. Deformation effects can be observed in the structure of the isoscalar giant monopole and quadrupole resonances. 24 Mg is also a nucleus that is well known to present different types of cluster-oscillation modes. Both giant resonances and cluster states are strongly populated by isoscalar transitions. To extract the E0, E1, and E2 transition strengths via 6 Li scattering. The 6 Li probe is a powerful tool for investigating the isoscalar nuclear response with a very favorable ratio of resonance-to-continuum background. Double-differential cross sections of 6 Li inelastic scattering, at the beam energy of 100 MeV/u, were measured in the excitation-energy range 10 – 40 MeV and scattering angles 0 - 3°. A multipole-decomposition analysis was performed for extracting the isoscalar E0 , E1, and E2 strength distributions. Results: The extracted multipole strengths were compared with predictions from consistent quasiparticle random phase approximation calculations. The theoretical predictions are in fair agreement with the experimental data. The E0 strength was also compared with results from antisymmetrized molecular dynamics calculations found in the literature. A few peaks in the experimental data might be associated with clustering in 24 Mg. Ground-state deformation effects were observed in the isoscalar giant monopole resonance (ISGMR) and isoscalar giant quadrupole resonance (ISGQR) distributions. The ISGMR strength is split in two peaks around 19 and 28 MeV. The ISGQR exhibits a pronounced peak at 20 MeV with a broadening at the low-energy region, similar to predictions from microscopic calculations. Signatures of excitation of cluster states were observed in the E0 response. Further studies including particle-decay measurements will be required to confirm the nature of the observed peaks.

20 ≤ A ≤ 38↗

Angular correlations in the ${e^+}{e^-}$ decay of excited states in $\mathrm{^8Be}$

Motivated by the recent observation of anomalous electron-positron angular correlations in the decay of the 18.15-MeV $\mathrm{1^+}$ excited states in $\mathrm{^8Be}$, we reexamine in detail the standard model expectations for these angular correlations. The 18.15-MeV state is above particle threshold, and several multipoles can contribute to its ${e^+}{e^-}$ decay. Here, we present the general theoretical expressions for ${e^+}{e^-}$ angular distributions for nuclear decay by $C0, C1, C2, M1, E1,$ and $E2$ multipoles, and we examine their relative contribution to the ${e^+}{e^-}$ decay of $\mathrm{^8Be}$ at 18.15 MeV. We find that this resonance is dominated by $M1$ to $E1$ decay, and that the ratio of $M1$ to $E1$ strength is a strong function of energy. This is in contrast to the original analysis of the ${e^+}{e^-}$ angular distributions, where the $M1/E1$ ratio was assumed to be a constant over the energy region ${E_p} = 0.8 – 1.2$ MeV. We find that the existence of a “bump” in the measured angular distribution is strongly dependent on the assumed $M1/E1$ ratio, with the present analysis finding the measured large-angle contributions to the ${e^+}{e^-}$ angular distribution to be lower than expectation. Thus, in the current analysis we find no evidence for axion decay in the 18.15-MeV resonance region of $\mathrm{^8Be}$.

6 ≤ A ≤ 19↗

Ab initio calculation of the β-decay spectrum of 6 He

Here, we calculate the β spectrum in the decay of 6 He using quantum Monte Carlo methods with nuclear interactions derived from chiral effective field theory and consistent weak vector and axial currents. We work at second order in the multipole expansion, retaining terms suppressed by O(q 2 /m$^{2}_{π}$), where q denotes low-energy scales such as the reaction’s Q value or the electron energy, and m π is the pion mass. We go beyond the impulse approximation by including the effects of two-body vector and axial currents. We estimate the theoretical error on the spectrum by using four potential models in the Norfolk family of local two- and three-nucleon interactions, which have different cutoffs, fit two-nucleon data up to different energies, and use different observables to determine the couplings in the three-body force. We find the theoretical uncertainty on the β spectrum, normalized by the total rate, to be well below the permille level, and to receive contributions of comparable size from first- and second-order corrections in the multipole expansion. We consider corrections to the β decay spectrum induced by beyond-standard-model charged-current interactions in the standard model effective field theory, with and without sterile neutrinos, and discuss the sensitivity of the next generation of experiments to these interactions.

6 ≤ A ≤ 19↗

Nuclear-level effective theory of 𝜇→𝑒 conversion: Formalism and applications

Over the next decade new 𝜇→𝑒 conversion searches at Fermilab (Mu2e) and J-PARC (COMET, DeeMe) are expected to advance limits on charged lepton flavor violation (CLFV) by more than four orders of magnitude. Here, by considering the consequence of 𝑃 and 𝐶⁢𝑃 on elastic 𝜇→𝑒 conversion and the structure of possible charge and current densities, we show that rates are governed by six nuclear responses and a single scale, 𝑞/𝑚 𝑁 , where 𝑞 ≈ 𝑚 𝜇 is the momentum transferred from the leptons to the nucleus. To relate this result to microscopic formulations of CLFV, we construct in nonrelativistic effective theory (NRET) the CLFV nucleon-level interaction, pointing out the relevance of the dimensionless scales 𝑦=($^{𝑞⁢𝑏}_2$) 2 ⁢ > |$\overrightarrow{𝑣}_N$⁢|>|$\overrightarrow{𝑣}_μ$⁢|>|$\overrightarrow{𝑣}_T$| , where 𝑏 is the nuclear size, $\overrightarrow{𝑣}_N$ and $\overrightarrow{𝑣}_μ$ are the nucleon and muon intrinsic velocities, and $\overrightarrow{𝑣}_T$ is the target recoil velocity. We discuss previous work, noting the lack of a systematic treatment of the various small parameters. Because the parameter 𝑦 is not small, a proper calculation of 𝜇→𝑒 conversion requires a full multipole expansion of the nuclear response functions, an apparently daunting task with Coulomb-distorted electron partial waves. We demonstrate that the multipole expansion can be carried out to high precision by introducing a simplifying local momentum 𝑞 eff for the electron. Previous work has been limited to simple charge or spin interactions, thereby treating the nucleus effectively as a point particle. We show that such formulations are not compatible with the general form of the 𝜇→𝑒 conversion rate, failing to generate three of the six allowed nuclear response functions. The inclusion of the nucleon velocity $\overrightarrow{𝑣}_N$ yields an NRET with 16 operators and a rate of the general form. Consequently, in the current discovery era for CLFV, it provides the most sensible starting point for experimental analysis, defining what can and cannot be determined about CLFV from the highly exclusive process of 𝜇→𝑒 conversion. Finally, we expand the NRET operator basis to account for the effects of $\overrightarrow{𝑣}_μ$, associated with the muon's lower component, generating corrections to the CLFV coefficients of the point-nucleus response functions. Using advanced shell-model methods, we compute 𝜇→𝑒 conversion rates for a series of experimental targets, deriving bounds on the coefficients of the CLFV operators. These calculations are the first to include a general basis of CLFV operators, full evaluation of the associated nuclear response functions, and an accurate treatment of electron and muon Coulomb effects. We discuss target selection as an experimental “knob” that can be turned to probe the microscopic origins of CLFV. We describe two types of coherence that enhance certain CLFV operators and selection rules that blind elastic 𝜇→𝑒 conversion to others. We discuss the matching of the NRET onto higher level effective field theories, such as those constructed at the light quark level, noting opportunities to build on existing work in direct detection of dark matter. We discuss the relation of 𝜇→𝑒 conversion to 𝜇→𝑒+𝛾 and 𝜇→3⁢𝑒, showing how MEG II and Mu3e results will complement those of Mu2e and COMET. Finally we describe a accompanying script—in Mathematica and Python versions—that can be used to compute 𝜇→𝑒 conversion rates in various nuclear targets for the full set of NRET operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Single-channel and single-energy partial-wave analysis with continuity improved through minimal phase constraints

Single-energy partial-wave analysis has often been applied as a way to fit data with minimal model dependence. However, remaining unconstrained, partial waves at neighboring energies will vary discontinuously because the overall amplitude phase cannot be determined through single-channel measurements. This problem can be mitigated through the use of a constraining penalty function based on an associated energy-dependent fit. However, the weight given to this constraint results in a biased fit to the data. In this paper, for the first time, we explore a constraining function which does not influence the fit to data. The constraint comes from the overall phase found in multichannel fits which, in the present study, are the Bonn-Gatchina and Jülich-Bonn multichannel analyses. The data are well reproduced and weighting of the penalty function does not influence the result. The method is applied to K⁢Λ photoproduction data and all observables can be maximally well reproduced. While the employed multichannel analyses display very different multipole amplitudes, we show that the major difference between two sets of multipoles can be related to the different overall phases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fast neutrino flavor conversion modes in multidimensional core-collapse supernova models: The role of the asymmetric neutrino distributions

A dense neutrino gas, such as the one anticipated in the supernova environment, can experience fast neutrino flavor conversions on scales much shorter than those expected in vacuum probably provided that the angular distributions of ν e and $\bar{v}_e$ cross each other. We perform a detailed investigation of the neutrino angular distributions obtained by solving the Boltzmann equations for fixed matter profiles of some representative snapshots during the postbounce phase of core-collapse supernovae in multidimensional calculations of a 11.2 M ⊙ and a 27 M ⊙ progenitor model. Although the 11.2 M ⊙ model features ν e - $\bar{v}_e$ angular crossings and the associated fast modes at different time snapshots, the 27 M ⊙ model does not show any crossings within the decoupling region. We show that this can be understood by studying the multipole components of the neutrino distributions. In fact, there is a higher chance for the occurrence of ν e - $\bar{v}_e$ angular crossings for the zones where the multipole components of the neutrino distributions are strong enough. We also show that there can exist more than one crossing between the angular distributions of ν e and $\bar{v}_e$. In addition, apart from the crossings within the neutrino decoupling region, there is a class of ν e - $\bar{v}_e$ angular crossings that appears very deep inside the protoneutron star.

79 ASTRONOMY AND ASTROPHYSICS↗

Results on photon-mediated dark-matter–nucleus interactions from the PICO-60 C 3 F 8 bubble chamber

Many compelling models predict dark matter coupling to the electromagnetic current through higher multipole interactions, while remaining electrically neutral. Different multipole couplings have been studied, among them anapole moment, electric and magnetic dipole moments, and millicharge. This study sets limits on the couplings for these photon-mediated interactions using nonrelativistic contact operators in an effective field theory framework. Using data from the PICO-60 bubble chamber leading limits for dark matter masses between 2.7 and 24 GeV/c 2 and above 265 GeV/c 2 (anapole moment), 2.7 and 11.7 GeV/c 2 (electric moment), 3 and 9.5 GeV/c 2 (magnetic moment), and 2.7 and 12 GeV/c 2 (millicharged) are reported for the coupling of these photon-mediated dark matter-nucleus interactions. The detector was filled with 52 kg of C 3 F 8 operating at thermodynamic thresholds of 2.45 keV and 3.29 keV, reaching exposures of 1404 kg-day and 1167 kg-day, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

Hard-scattering approach to strongly hindered electric dipole transitions between heavy quarkonia

The conventional wisdom in dealing with electromagnetic transition between heavy quarkonia is the multipole expansion, when the emitted photon has a typical energy of order quarkonium binding energy. Nevertheless, in the case when the energy carried by the photon is of order typical heavy quark momentum, the multipole expansion doctrine is expected to break down. In this work, we apply the “hard-scattering” approach originally developed to tackle the strongly hindered magnetic dipole ( M 1 ) transition [Y. Jia , ] to the strongly hindered electric dipole ( E 1 ) transition between heavy quarkonia. We derive the factorization formula for the strongly hindered E 1 transition rates at the lowest order in velocity and α s in the context of the nonrelativistic QCD, and conduct a detailed numerical comparison with the standard predictions for various bottomonia and charmonia E 1 transition processes. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Are all modes created equal? An analysis of the WMAP 5- and 7-year data without inflationary prejudice

We submit recent claims of hints of primordial tensor perturbations and a scale-dependent spectral index in the WMAP data to a closer scrutiny. Our approach differs in that we use different best-fit values at which to fix the parameters not to be varied, and in that we use CosmoMC, thus incorporating the WMAP likelihood code and EE and BB mode data. We introduce a new parameter to test the claims of a scale-dependent spectral index. While we do find some hints of a scale-dependent spectral index over the multipole range l=2-220, the change in maximum likelihood is too small to justify introducing a new parameter. We conclude that there is no significant detection of primordial tensor perturbations, and that the assumption of a scale-independent spectral index in this multipole range has little effect on the amount of primordial gravitational waves found.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Determination of {chi}{sub c} and {chi}{sub b} polarizations from dilepton angular distributions in radiative decays

The angular distributions of the decay products in the successive decays {chi}{sub c}({chi}{sub b}){yields}J/{psi}({Upsilon}){gamma} and J/{psi}({Upsilon}){yields}l{sup +}l{sup -} are calculated as a function of the angular momentum composition of the decaying {chi} meson and of the multipole structure of the photon radiation, using a formalism independent of production mechanisms and polarization frames. The polarizations of the {chi} states produced in high-energy collisions can be derived from the dilepton decay distributions of the daughter J/{psi} or {Upsilon} mesons, with a reduced dependence on the details of the photon reconstruction or simulation. Moreover, this method eliminates the dependence of the polarization measurement on the actual details of the multipole structure of the radiative transition. Problematic points in previous calculations of the {chi}{sub c} decay angular distributions are identified and clarified.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Anisotropies in the diffuse gamma-ray background measured by the Fermi LAT

The contribution of unresolved sources to the diffuse gamma-ray background could induce anisotropies in this emission on small angular scales. Here, we analyze the angular power spectrum of the diffuse emission measured by the Fermi Large Area Telescope at Galactic latitudes | b | > 30 ° in four energy bins spanning 1–50 GeV. At multipoles ℓ ≥ 155 , corresponding to angular scales ≲ 2 ° , angular power above the photon noise level is detected at > 99.99 % confidence level in the 1–2 GeV, 2–5 GeV, and 5–10 GeV energy bins, and at > 99 % confidence level at 10–50 GeV. Within each energy bin the measured angular power takes approximately the same value at all multipoles ℓ ≥ 155 , suggesting that it originates from the contribution of one or more unclustered source populations. Furthermore, the amplitude of the angular power normalized to the mean intensity in each energy bin is consistent with a constant value at all energies, C P / < I > 2 = 9.05 ± 0.84 × 10 - 6 sr , while the energy dependence of C P is consistent with the anisotropy arising from one or more source populations with power-law photon spectra with spectral index Γ s = 2.40 ± 0.07 . We also discuss the implications of the measured angular power for gamma-ray source populations that may provide a contribution to the diffuse gamma-ray background.

79 ASTRONOMY AND ASTROPHYSICS↗

Covariance of CMB anomalies

Several unexpected features are observed at large angular scales in the cosmic microwave background (CMB) temperature anisotropy measurements by both WMAP and Planck. These include the lack of both variance and correlation, alignment of the lowest multipole moments with one another, hemispherical power asymmetry, and an odd-to-even parity excess. In this work, we study the statistics of eight representative large-angle CMB features in order to evaluate their covariance in the standard Λ CDM model. We do so using two sets of simulated CMB temperature maps; an ensemble of 100 000 simple Gaussian simulations, and 1000 Full Focal Plane (FFP) simulations provided by the Planck collaboration. In measuring feature probabilities, we pay particular attention to analysis choices, making sure that we can reproduce previous results in the literature, and explain differences where appropriate. The covariance structure we find is consistent with expectations given that many of the features studied are functions of the angular power spectrum. Notably, we find significant differences in the covariance entries associated with the quadrupole-octopole alignments derived from the Gaussian and FFP simulations. We additionally perform a principal component analysis to quantitatively gauge what combinations of features capture the most information about how simulation measurements vary, and to provide an alternative assessment of the ways in which the real sky is anomalous. Here, the first four principal components explain about 90% of the simulations’ variance, with the first two roughly quantifying the lack of large-angle correlations, and the next two quantifying the phase-dependent anomalies (multipole alignments and power asymmetry). Though the results of this analysis are fairly unsurprising, its comprehensive approach serves to tie together a number of previous results, and will therefore provide context for future studies of large-angle anomalies.

79 ASTRONOMY AND ASTROPHYSICS↗

Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors

Form factors based on aspherical models of atomic electron density have brought great improvement in the accuracies of hydrogen atom parameters derived from X-ray crystal structure refinement. Today, two main groups of such models are available, the banks of transferable atomic densities parametrized using the Hansen–Coppens multipole model which allows for rapid evaluation of atomic form factors and Hirshfeld atom refinement (HAR)-related methods which are usually more accurate but also slower. In this work, a model that combines the ideas utilized in the two approaches is tested. It uses atomic electron densities based on Hirshfeld partitions of electron densities, which are precalculated and stored in a databank. This model was also applied during the refinement of the structures of five small molecules. A comparison of the resulting hydrogen atom parameters with those derived from neutron diffraction data indicates that they are more accurate than those obtained with the Hansen–Coppens based databank, and only slightly less accurate than those obtained with a version of HAR that neglects the crystal environment. The advantage of using HAR becomes more noticeable when the effects of the environment are included. To speed up calculations, atomic densities were represented by multipole expansion with spherical harmonics up to l = 7, which used numerical radial functions (a different approach to that applied in the Hansen–Coppens model). Calculations of atomic form factors for the small protein crambin (at 0.73 Å resolution) took only 68 s using 12 CPU cores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Geometric Field Errors of Short Models for MQXF, the Nb3Sn Low-β Quadrupole for the High Luminosity LHC

© 2002-2011 IEEE. In the framework of the high-luminosity upgrade of the large hadron collider, the U.S. LARP collaboration and CERN are jointly developing a 150-mm aperture Nb3Sn quadrupole for the Large Hadron Collider (LHC) interaction regions. Due to the large beam size and orbit displacement in the final focusing triplet, MQXF has challenging targets for field quality at nominal operation conditions. Three short model magnets have been tested and around 30 coils have been built, allowing a first analysis of the reproducibility of the coil size and turns positioning. The impact of the coil shimming on field quality is evaluated, with special emphasis on the warm magnetic measurements and the correlation to field measurements at cold and nominal field. The variability of the field harmonics along the magnet axis is studied by means of a Monte-Carlo analysis and the effects of the corrective actions implemented to suppress the low-order unallowed multipoles are discussed.

Bermudez, Susana Izquierdo↗

Contribution from cosmological scalar perturbations to the angular velocity spectrum of extragalactic sources

The possibility of the influence of adiabatic scalar perturbations on the angular velocity spectrum of extragalactic sources is considered. The multipole expansion coefficients of the angular velocity field in terms of vector spherical harmonics are calculated. We show that there is no contribution from adiabatic perturbations to the angular spectrum for a spatially flat Universe at the dusty stage, while there is a contribution only to the electric multiple coefficients at the stage of {Lambda}-term domination. The cases of long-wavelength and short-wavelength perturbations are considered separately. The relationship between the multipole angular velocity spectrum and the primordial scalar perturbation spectrum is discussed.

79 ASTRONOMY AND ASTROPHYSICS↗