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At least 721 records · Page 40

Specific absorbed fractions for a revised series of the UF/NCI pediatric reference phantoms: internal electron sources

Assessment of radiation absorbed dose to internal organs of the body from the intake of radionuclides, or in the medical setting through the injection of radiopharmaceuticals, is generally performed based upon reference biokinetic models or patient imaging data, respectively. Biokinetic models estimate the time course of activity localized to source organs. The time-integration of these organ activity profiles are then scaled by the radionuclide S-value, which defines the absorbed dose to a target tissue per nuclear transformation in various source tissues. S-values are computed using established nuclear decay information (particle energies and yields), and a parameter termed the specific absorbed fraction (SAF). The SAF is the ratio of the absorbed fraction—fraction of particle energy emitted in the source tissue that is deposited in the target tissue—and the target organ mass. While values of the SAF may be computed using patient-specific or individual-specific anatomic models, they have been more widely available through the use of computational reference phantoms. In this study, we report on an extensive series of photon SAFs computed in a revised series of the University of Florida and the National Cancer Institute pediatric reference phantoms which have been modified to conform to the specifications embodied in the ICRP reference adult phantoms of Publication 110 (e.g. organs modeled, organ ID numbers, blood contribution to elemental compositions). Following phantom anatomical revisions, photon radiation transport simulations were performed using MCNPX v2.7 in each of the ten phantoms of the series—male and female newborn, 1 year old, 5 year old, 10 year old, and 15 year old—for 60 different tissues serving as source and/or target regions. A total of 25 photon energies were considered from 10 keV to 10 MeV along a logarithm energy grid. Detailed analyses were conducted of the relative statistical errors in the Monte Carlo target tissue energy deposition tallies at low photon energies and over all energies for source–target combinations at large intra-organ separation distances. Based on these analyses, various data smoothing algorithms were employed, including multi-point weighted data smoothing, and log–log interpolation at low energies (1 keV and 5 keV) using limiting SAF values based upon target organ mass to bound the interpolation interval. The final dataset is provided in a series of ten electronic supplemental files in MS Excel format. Finally, the results of this study were further used as the basis for assessing the radiative component of internal electron source SAFs as described in our companion paper (Schwarz et al 2021) for this same pediatric phantom series.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Two-field analysis of no-scale supergravity inflation

Since the building-blocks of supersymmetric models include chiral superfields containing pairs of effective scalar fields, a two-field approach is particularly appropriate for models of inflation based on supergravity. In this paper, we generalize the two-field analysis of the inflationary power spectrum to supergravity models with arbitrary Kähler potential. We show how two-field effects in the context of no-scale supergravity can alter the model predictions for the scalar spectral index n s and the tensor-to-scalar ratio r, yielding results that interpolate between the Planck-friendly Starobinsky model and BICEP2-friendly predictions. In particular, we show that two-field effects in a chaotic no-scale inflation model with a quadratic potential are capable of reducing r to very small values << 0.1. Here, we also calculate the non-Gaussianity measure f NL , finding that is well below the current experimental sensitivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Giant wormholes in ghost-free bigravity theory

We study Lorentzian wormholes in the ghost-free bigravity theory described by two metrics, g and f. Wormholes can exist if only the null energy condition is violated, which happens naturally in the bigravity theory since the graviton energy-momentum tensors do not apriori fulfill any energy conditions. As a result, the field equations admit solutions describing wormholes whose throat size is typically of the order of the inverse graviton mass. Hence, they are as large as the universe, so that in principle we might all live in a giant wormhole. The wormholes can be of two different types that we call W1 and W2. The W1 wormholes interpolate between the AdS spaces and have Killing horizons shielding the throat. The Fierz-Pauli graviton mass for these solutions becomes imaginary in the AdS zone, hence the gravitons behave as tachyons, but since the Breitenlohner-Freedman bound is fulfilled, there should be no tachyon instability. For the W2 wormholes the g-geometry is globally regular and in the far field zone it becomes the AdS up to subleading terms, its throat can be traversed by timelike geodesics, while the f-geometry has a completely different structure and is not geodesically complete. There is no evidence of tachyons for these solutions, although a detailed stability analysis remains an open issue. It is possible that the solutions may admit a holographic interpretation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Efficient construction of mock catalogs for baryon acoustic oscillation surveys

Precision measurements of the large scale structure of the Universe require large numbers of high fidelity mock catalogs to accurately assess, and account for, the presence of systematic effects. We introduce and test a scheme for generating mock catalogs rapidly using suitably derated N-body simulations. Our aim is to reproduce the large scale structure and the gross properties of dark matter halos with high accuracy, while sacrificing the details of the halo's internal structure. By adjusting global and local time-steps in an N-body code, we demonstrate that we recover halo masses to better than 0.5% and the power spectrum to better than 1% both in real and redshift space for k =1 h Mpc{sup −1}, while requiring a factor of 4 less CPU time. We also calibrate the redshift spacing of outputs required to generate simulated light cones. We find that outputs separated by Δ z =0.05 allow us to interpolate particle positions and velocities to reproduce the real and redshift space power spectra to better than 1% (out to k =1 h Mpc{sup −1}). We apply these ideas to generate a suite of simulations spanning a range of cosmologies, motivated by the Baryon Oscillation Spectroscopic Survey (BOSS) but broadly applicable to future large scale structure surveys including eBOSS and DESI. As an initial demonstration of the utility of such simulations, we calibrate the shift in the baryonic acoustic oscillation peak position as a function of galaxy bias with higher precision than has been possible so far. This paper also serves to document the simulations, which we make publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

Climatic warming in China during 1901–2015 based on an extended dataset of instrumental temperature records

Monthly mean instrumental surface air temperature (SAT) observations back to the nineteenth century in China are synthesized from different sources via specific quality-control, interpolation, and homogenization. Compared with the first homogenized long-term SAT dataset for China which contained 18 stations mainly located in the middle and eastern part of China, the present dataset includes homogenized monthly SAT series at 32 stations, with an extended coverage especially towards western China. Missing values are interpolated by using observations at nearby stations, including those from neighboring countries. Cross validation shows that the mean bias error (MBE) is generally small and falls between 0.45 °C and –0.35 °C. Multiple homogenization methods and available metadata are applied to assess the consistency of the time series and to adjust inhomogeneity biases. The homogenized annual mean SAT series shows a range of trends between 1.1 °C and 4.0 °C/century in northeastern China, between 0.4 °C and 1.9 °C/century in southeastern China, and between 1.4 °C and 3.7 °C/century in western China to the west of 105 E (from the initial years of the stations to 2015). The unadjusted data include unusually warm records during the 1940s and hence tend to underestimate the warming trends at a number of stations. As a result, the mean SAT series for China based on the climate anomaly method shows a warming trend of 1.56 °C/century during 1901–2015, larger than those based on other currently available datasets.

54 ENVIRONMENTAL SCIENCES↗

GALIC: hybrid multi-qubitwise pauli grouping for quantum computing measurement

Abstract Observable estimation is a core primitive in NISQ-era algorithms targeting quantum chemistry applications. To reduce the state preparation overhead required for accurate estimation, recent works have proposed various simultaneous measurement schemes to lower estimator variance. Two primary grouping schemes have been proposed: full commutativity (FC) and qubit-wise commutativity (QWC), with no compelling means of interpolation. In this work we propose a generalized framework for designing and analyzing context-aware hybrid FC/QWC commutativity relations. We use our framework to propose a noise-and-connectivity aware grouping strategy: Generalized backend-Aware pauLI Commutation (GALIC). We demonstrate how GALIC interpolates between FC and QWC, maintaining estimator accuracy in Hamiltonian estimation while lowering variance by an average of 20% compared to QWC. We also explore the design space of near-term quantum devices using the GALIC framework, specifically comparing device noise levels and connectivity. We find that error suppression has a more than 10 × larger impact on device-aware estimator variance than qubit connectivity with even larger correlation differences in estimator biases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cosmology with galaxy–galaxy lensing on non-perturbative scales: emulation method and application to BOSS LOWZ

ABSTRACT We describe our non-linear emulation (i.e. interpolation) framework that combines the halo occupation distribution (HOD) galaxy bias model with N-body simulations of non-linear structure formation, designed to accurately predict the projected clustering and galaxy–galaxy lensing signals from luminous red galaxies in the redshift range 0.16 < z < 0.36 on comoving scales 0.6 < rp < 30 $h^{-1} \, \text{Mpc}$. The interpolation accuracy is ≲ 1–2 per cent across the entire physically plausible range of parameters for all scales considered. We correctly recover the true value of the cosmological parameter S8 = (σ8/0.8228)(Ωm/0.3107)0.6 from mock measurements produced via subhalo abundance matching (SHAM)-based light-cones designed to approximately match the properties of the SDSS LOWZ galaxy sample. Applying our model to Baryon Oscillation Spectroscopic Survey (BOSS) Data Release 14 (DR14) LOWZ galaxy clustering and galaxy-shear cross-correlation measurements made with Sloan Digital Sky Survey (SDSS) Data Release 8 (DR8) imaging, we perform a prototype cosmological analysis marginalizing over wCDM cosmological parameters and galaxy HOD parameters. We obtain a 4.4 per cent measurement of S8 = 0.847 ± 0.037, in 3.5σ tension with the Planck cosmological results of 1.00 ± 0.02. We discuss the possibility of underestimated systematic uncertainties or astrophysical effects that could explain this discrepancy.

79 ASTRONOMY AND ASTROPHYSICS↗

Correlation between Toluene Exposure and Toxicity Effects of Toluene on Drosophila Melanogaster Fecundity and Offspring Survivability

Toluene is a volatile organic compound that is a common indoor contaminant. According to the U.S. Department of Health and Human Services, chronic toluene exposure negatively affects organ systems, such as nervous and respiratory, and acts as a fetotoxic agent in the development of humans. Toluene exposure causes damage to human myelin sheaths, thus we propose that damage to the fly nervous system will be similar to that seen in humans exposed to toluene. Our ultimate goal is to determine the effects of toluene exposure on developmental and neuronal processes in D. melanogaster . In this first phase, we hypothesize that toluene‐exposed adults, at the interpolated Lethal Exposure (LE 50 ), will demonstrate decreased fecundity and that offspring from toluene‐exposed females will have decreased survivability from the egg to adult stage. We developed a continuous flow system that delivers known concentrations of gaseous toluene to populations of D. melanogaster . Ten to twenty adult female flies per trial were exposed for 24 hours to known concentrations of toluene. Surviving females were collected, counted and mated to non‐exposed adult males. The toluene‐exposed females were placed on a colored agar plate to lay eggs for 24 hours. Eggs were counted to determine fecundity (number of eggs produced by a single female fly). Survivability of eggs to later life stages, was measured by counting number of larvae, pupae, and adults divided by number eggs, larvae, and pupae respectively. The interpolated LE 50 of gaseous toluene was between 1000 and 1500 ppm after 24‐hour exposure. Fecundity of toluene‐exposed females decreased by approximately 50% when compared to airexposed females. The survivability of offspring of air‐exposed flies from egg to larval stages was 84% higher than published studies. We observed that larval eclosure from eggs laid by toluene‐exposed females was 35–50% higher on days 1 and 2 when compared to larval eclosure from eggs of air‐exposed exposed females. On days 3–6 the eclosure rate was relatively similar. These data showed toluene's effects on fecundity and survivability were measurable, however, additional replicates are in progress to fully assess the life table characteristics of offspring of toluene‐exposed female flies. Further studies will focus on toluene's effect on nervous and reproductive organs of fruit flies, along with a study on the mutagenic effects of toluene on fly DNA. Support or Funding Information U.S. DOE, Hispanic‐Serving Institutions, STEM Articulation Grant P031C110128 This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

MacGregor, Michael Charles↗

Importance of finite-size corrections for accurate ab initio modeling of carrier capture at semiconductor defects: A case study of substitutional C N in GaN

In ab initio studies of carrier-capture processes in defective semiconductor materials, the single-effective-mode formalism and the static-coupling approximation have become the predominant theoretical approaches for determining carrier-capture coefficients. The single-mode formalism relies on accurate nonequilibrium defect energies obtained from density-functional theory (DFT), where required inputs are a series of configurationally displaced, defect-containing supercells obtained using an interpolative ansatz, and where the DFT outputs are corresponding total energies that have traditionally been postprocessed using a long-established ground-state formulation of finite-size corrections and defect-formation energies. This formulation remains commonly used even though the defects that form a configuration-coordinate (CC) diagram typically exist as structures that are displaced from the ground state. To remedy this inconsistency, Kumagai has recently proposed novel methods for implementing finite-size corrections specifically intended for DFT calculations of the defect energies used to construct CC diagrams and implement the single-mode formalism [Y. Kumagai, Phys. Rev. B 107, L220101 (2023)]. Kumagai's approach builds on the latest finite-size-correction methods introduced to describe vertical charge-state transitions for charge-localizing point defects in semiconductors and insulators [T. Gake et al., Phys. Rev. B 101, 020102 (2020); S. Falletta et al., Phys. Rev. B 102, 041115 (2020)]. The newly identified finite-size artifact treated in these studies is the polarization charge induced on a configurationally frozen defect and its subsequent interaction with a vertical transition in charge state. In this work, we evaluate Kumagai's proposed methodology by applying it in a high-precision DFT study of carrier capture by substitutional C N in GaN, a well-characterized and technologically relevant defect and material. We have rigorously calculated C N defect energies across various supercell sizes for each defect configuration and charge state on the hole-capture CC diagram of C N (𝑞=−1), enabling a direct comparison of the slopes of the defect energies versus inverse cell size with those predicted by Kumagai. The most consequential prediction of Kumagai's method is that these slopes distinctly vary as the square of the linear-interpolation parameter used to construct the nonequilibrium defect configurations. Our results quantitatively support this prediction. Moreover, with these new finite-size corrections and multiple-cell-size DFT calculations in place, we find that the classical energy barrier for hole capture by C N (𝑞=−1) in GaN decreases to 0.092–0.127 eV. This finding confirms the recent ≈ 0.1 eV prediction of Reshchikov based on the weak temperature dependence for hole capture observed in photoluminescence experiments [M. A. Reshchikov, J. Appl. Phys. 129, 121101 (2021)]. These results stand in stark contrast to previously calculated barriers of 0.486 and 0.73 eV, which also used the single-mode formalism but were obtained by instead using ground-state-based finite-size corrections. Our reduced classical barrier for capture increases the temperature-dependent hole-capture coefficient of a C N (𝑞=−1) defect by more than two to four orders of magnitude for temperatures of 100–600 K, compared to the previous 0.486 eV results. While other defects may not be as dramatically affected as here, we suggest that incorporating proper finite-size corrections for the vertical-transition-like states embedded within CC diagrams is an essential, yet previously unrecognized, component of accurate modeling of carrier-capture when using the single-effective-mode formalism.

dielectric properties↗

Skyrmions and hopfions in three-dimensional frustrated magnets

Here, a model of an inversion-symmetric frustrated spin system is introduced which hosts three-dimensional extensions of magnetic skyrmions. In the continuum approximation, this model reduces to a nonlinear sigma model on a squashed sphere that has a natural interpolating parameter. At one limit of the parameter, the model reduces to a frustrated magnetic system earlier considered by Sutcliffe as a host to hopfions, and in the other limit, it becomes very similar to the 3D Skyrme model. To better understand the relation between hopfions and 3D skyrmions, a model interpolating between the Faddeev-Niemi and the Skyrme models is reconsidered and it is shown that energies of the solitons obey a linear Bogomol'nyi-Prasad-Sommerfeld bound. The 3D skyrmions in the frustrated magnetic model are found and compared to the rational map ansatz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Spin dynamics of the generalized quantum spin compass chain

Here we calculate the dynamical spin structure factor of the generalized spin-1/2 compass spin chain using the density matrix renormalization group. The model, also known as the twisted Kitaev spin chain, was recently proposed to be relevant for the description of the spin chain compound CoNb 2 O 6 . It features bond-dependent interactions and interpolates between an Ising chain and a one-dimensional variant of Kitaev's honeycomb spin model. The structure factor, in turn, is found to interpolate from gapped and nondispersive in the Ising limit to gapless with nontrivial continua in the Kitaev limit. In particular, the component of the structure factor perpendicular to the Ising directions changes abruptly at the Kitaev point into a dispersionless continuum due to the emergence of an extensive ground-state degeneracy. We show this continuum is consistent with analytical Jordan-Wigner results. We also discuss implications for future inelastic scattering experiments and applications to materials, particularly CoNb 2 O 6 .

1-dimensional spin chains↗

Semilocal exchange hole with an application to range-separated density functionals

The exchange-correlation hole is a central concept in density functional theory. It not only provides justification for an exchange-correlation energy functional but also serves as a local ingredient for nonlocal range-separated density functionals. However, due to the nonlocal nature, modeling the conventional exact exchange hole presents a great challenge to density functional theory. In this work, we propose a semilocal exchange hole underlying the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation functional. Our model is distinct from previous ones not only at small separation between an electron and the hole around the electron but also in the way it interpolates between rapidly varying and slowly varying densities. Here the interpolation is determined by the wave-vector analysis on the infinite-barrier model for a jellium surface. Numerical tests show that our exchange-hole model mimics the conventional exact one quite well for atoms. As a simple application, we apply the hole model to construct a TPSS-based range-separated functional. We find that this range-separated functional can substantially improve the band gaps and barrier heights of TPSS, without losing much accuracy for atomization energies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ab initio electron-phonon interactions using atomic orbital wave functions

The interaction among electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics, phase transitions, and superconductivity. We present an ab initio method that employs atomic orbital (AO) wave functions to compute the electron-phonon (e-ph) interactions in materials and interpolate the e-ph coupling matrix elements to fine Brillouin zone grids. We illustrate the numerical implementation of such AO-based e-ph calculations, and benchmark them against direct density functional theory calculations and Wannier function (WF) interpolation. The prime advantages of AOs over WFs for e-ph calculations are outlined. Since AOs are fixed basis functions associated with the atoms, they circumvent the need to generate a material-specific localized basis set with a trial-and-error approach, as is needed in WFs. Therefore, AOs are ideal to compute e-ph interactions in chemically and structurally complex materials for which WFs are challenging to generate, and are also promising for high-throughput materials discovery. Although our findings focus on AOs, the formalism we present generalizes e-ph calculations to arbitrary localized basis sets, with WFs recovered as a special case.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Two-nucleon 𝑆-wave interactions at the SU(3) flavor-symmetric point with 𝑚 𝑢⁢𝑑 ≈ 𝑚$^{phys}_𝑠$: A first lattice QCD calculation with the stochastic Laplacian Heaviside method

We report on the first application of the stochastic Laplacian Heaviside method for computing multiparticle interactions with lattice QCD to the two-nucleon system. Like the Laplacian Heaviside method, this method allows for the construction of interpolating operators which can be used to construct a set of positive-definite two-nucleon correlation functions, unlike nearly all other applications of lattice QCD to two nucleons in the literature. It also allows for a variational analysis in which optimal linear combinations of the interpolating operators are formed that couple predominantly to the eigenstates of the system. Utilizing such methods has become of paramount importance to help resolve the discrepancy in the literature on whether two nucleons in either isospin channel form a bound state at pion masses heavier than physical, with the discrepancy persisting even in the SU(3)-flavor-symmetric point with all quark masses near the physical strange quark mass. This is the first in a series of papers aimed at resolving this discrepancy. In the present work, we employ the stochastic Laplacian Heaviside method without a hexaquark operator in the basis at a lattice spacing of 𝑎 ≈0.086 fm, lattice volume of 𝐿 = 48⁢𝑎 ≈ 4.1 fm and pion mass 𝑚 𝜋 ≈ 714 MeV. With this setup, the observed spectrum of two-nucleon energy levels strongly disfavors the presence of a bound state in either the deuteron or dineutron channel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

$X(3873$ and $Y(4140)$ using diquark-antidiquark operators with lattice QCD

We perform a lattice study of charmonium-like mesons with $J^{PC}=1^{++}$ and three quark contents $\bar cc \bar du$, $\bar cc(\bar uu+\bar dd)$ and $\bar cc \bar ss$, where the later two can mix with $\bar cc$. This simulation with $N_f=2$ and $m_\pi=266$ MeV aims at the possible signatures of four-quark exotic states. We utilize a large basis of $\bar cc$, two-meson and diquark-antidiquark interpolating fields, with diquarks in both anti-triplet and sextet color representations. A lattice candidate for X(3872) with I=0 is observed very close to the experimental state only if both $\bar cc$ and $D\bar D^*$ interpolators are included; the candidate is not found if diquark-antidiquark and $D\bar D^*$ are used in the absence of $\bar cc$. No candidate for neutral or charged X(3872), or any other exotic candidates are found in the I=1 channel. We also do not find signatures of exotic $\bar cc\bar ss$ candidates below 4.3 GeV, such as Y(4140). Possible physics and methodology related reasons for that are discussed. Along the way, we present the diquark-antidiquark operators as linear combinations of the two-meson operators via the Fierz transformations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pion-nucleon scattering in the Roper channel from lattice QCD

We present a lattice QCD study of $N\pi$ scattering in the positive-parity nucleon channel, where the puzzling Roper resonance $N^*(1440)$ resides in experiment. The study is based on the PACS-CS ensemble of gauge configurations with $N_f=2+1$ Wilson-clover dynamical fermions, $m_\pi \simeq 156~$MeV and $L\simeq 2.9~$fm. In addition to a number of $qqq$ interpolating fields, we implement operators for $N\pi$ in $p$-wave and $N\sigma$ in $s$-wave. In the center-of-momentum frame we find three eigenstates below 1.65 GeV. They are dominated by $N(0)$, $N(0)\pi(0)\pi(0)$ (mixed with $N(0)\sigma(0)$) and $N(p)\pi(-p)$ with $p\simeq 2\pi/L$, where momenta are given in parentheses. This is the first simulation where the expected multi-hadron states are found in this channel. The experimental $N\pi$ phase-shift would -- in the approximation of purely elastic $N\pi$ scattering -- imply an additional eigenstate near the Roper mass $m_R\simeq 1.43~$GeV for our lattice size. We do not observe any such additional eigenstate, which indicates that $N\pi$ elastic scattering alone does not render a low-lying Roper. Coupling with other channels, most notably with $N\pi\pi$, seems to be important for generating the Roper resonance, reinforcing the notion that this state could be a dynamically generated resonance. Our results are in line with most of previous lattice studies based just on $qqq$ interpolators, that did not find a Roper eigenstate below $1.65~$GeV. As a result, the study of the coupled-channel scattering including a three-particle decay $N\pi\pi$ remains a challenge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Thermalization in the one-dimensional Salerno model lattice

The Salerno model constitutes an intriguing interpolation between the integrable Ablowitz-Ladik (AL) model and the more standard (nonintegrable) discrete nonlinear Schrödinger (DNLS) one. The competition of local on-site nonlinearity and nonlinear dispersion governs the thermalization of this model. Here, we investigate the statistical mechanics of the Salerno one-dimensional lattice model in the nonintegrable case and illustrate the thermalization in the Gibbs regime. As the parameter interpolating between the two limits (from DNLS toward AL) is varied, the region in the space of initial energy and norm densities leading to thermalization expands. The thermalization in the non-Gibbs regime heavily depends on the finite system size; we explore this feature via direct numerical computations for different parametric regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗