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At least 1,333 records · Page 74

A fully Lagrangian, non-parametric bias model for dark matter halos

Here, we present a non-parametric Lagrangian biasing model and fit the ratio of the halo and mass densities at the field level using the mass-weighted halo field in the AbacusSummit simulations at z=0.5. Unlike the perturbative halo bias model that has been widely used in interpreting the observed large-scale structure traced by galaxies, we find a non-negative halo-to-mass ratio that increases monotonically with the linear overdensity δ 1 in the initial Lagrangian space. The bias expansion, however, does not guarantee non-negativity of the halo counts, and may lead to rising halo number counts at negative overdensities. The shape of the halo-to-mass ratio is unlikely to be described by a polynomial function of δ 1 and other quantities. Especially for massive halos with 6×10 12 h -1 M ⊙ , the halo-to-mass ratio starts soaring up at δ 1 >0, substantially different from the predictions of the bias expansion. We show that for the halo masses we consider (M>3×10 11 h -1 M ⊙ ) a non-parametric halo-to-mass ratio as a function of δ 1 and its local derivative ∇^2δ 1 can recover the halo power spectra to sub-percent level accuracy for wavenumbers k=0.01-0.1 h Mpc -1 given a proper smoothing scale to filter the initial density field, even though we do not fit the power spectrum directly. However, there is mild dependence of the recovery of the halo power spectrum on the smoothing scale and other input parameters. At k<0.01 h Mpc -1 and for massive halos with M>6x10 12 h -1 M ⊙ , our non-parametric model leads to a few percent overestimation of the halo power spectrum, indicating the need for larger or multiple smoothing scales. The halo-to-mass ratios obtained qualitatively agree with intuitions from extended Press-Schechter theory. We compare our framework to the bias expansion and discuss possible extensions.

79 ASTRONOMY AND ASTROPHYSICS↗

Towards efficient density functional theory calculations without self-interaction: The Fermi-Löwdin orbital self-interaction correction

The Fermi-Löwdin orbital (FLO) approach to the Perdew-Zunger self-interaction correction (PZ-SIC) to density functional theory (DFT) is described and an improved approach to the problem of optimizing the Fermi-orbitals in order to minimize the DFT-SIC total energy is introduced. To illustrate the use of the FLO-SIC method, results are given for several applications involving problems where self-interaction errors are pronounced.

36 MATERIALS SCIENCE↗

The intrinsic X-ray luminosity distribution of an optically selected SDSS quasar population

ABSTRACT In active galactic nuclei, the relationship between UV and X-ray luminosity is well studied (often characterised by αox) but often with heterogeneous samples. We have parametrized the intrinsic distribution of X-ray luminosity, LX, for the optically selected sample of SDSS quasars in the Stripe 82 and XXL fields across redshifts 0.5–3.5. We make use of the available XMM observations and a custom pipeline to produce Bayesian sensitivity curves that are used to derive the intrinsic X-ray distribution in a hierarchical Bayesian framework. We find that the X-ray luminosity distribution is well described by a Gaussian function in log10 LX space with a mean that is dependent on the monochromatic 2500 Å UV luminosity, L2500. We also observe some redshift dependence of the distribution. The mean of the LX distribution increases with redshift while the width decreases. This weak but significant redshift dependence leads to L2500–LX and L2500–αox relations that evolve with redshift, and we produce a redshift- and L2500-dependent αox equation. Neither black hole mass nor Eddington ratio appear to be potential drivers of the redshift evolution.

Rankine, Amy L. (ORCID:0000000220911966)↗

Tuning the magnetic properties of the spin-split antiferromagnet MnTe through pressure

The hexagonal antiferromagnet MnTe has attracted enormous interest as a prototypical example of a spin-compensated magnet in which the combination of crystal and spin symmetries lifts the spin degeneracy of the electron bands without the need for spin-orbit coupling, a phenomenon called nonrelativistic spin splitting (NRSS). Subgroups of NRSS are determined by the specific spin-interconverting symmetry that connects the two opposite-spin sublattices. In MnTe, this symmetry is rotation, leading to the subgroup with spin splitting away from the Brillouin zone center, often called altermagnetism. MnTe also has the largest spontaneous magnetovolume effect of any known antiferromagnet, implying strong coupling between the magnetic moment and volume. This magnetostructural coupling offers a potential knob for tuning the spin-splitting properties of MnTe. Here, we use neutron diffraction with in situ applied pressure to determine the effects of pressure on the magnetic properties of MnTe and further explore this magnetostructural coupling. We find that applying pressure significantly increases the Néel temperature, but decreases the ordered magnetic moment. We explain this as a consequence of strengthened magnetic exchange interactions under pressure, resulting in higher 𝑇 N , with a simultaneous reduction of the local moment of individual Mn atoms, described here via density functional theory. This reflects the increased orbital hybridization and electron delocalization with pressure. In conclusion, these results shed light on the competition between magnetic exchange interactions and the strength of individual magnetic moments and show that the magnetic properties of MnTe can be controlled by pressure, opening the door to improved properties for spintronic applications through tuning via physical or chemical pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Perspectives on Designer Photocathodes for X-ray Free-Electron Lasers: Influencing Emission Properties with Heterostructures and Nanoengineered Electronic States

Here, the development of photoemission electron sources to specifically address the competing andnincreasingly stringent requirements of advanced light sources such as X-ray Free Electron Lasers (XFELs) motivates a comprehensive material-centric approach that integrates predictive compu- tational physics models, advanced nano-synthesis methods, and sophisticated surface science char- acterization with in situ correlated study of photoemission performance and properties. Related efforts in material science are adopting various forms of nanostructure (such as compositionally graded stoichiometry in heterostructured architectures, and quantum features) allowing for tailored electronic structure to control and enhance opto-electronic properties. These methods influence the mechanisms of photoemission (absorption, transport, and emission) but have not, as yet, been systematically considered for use in photocathode applications. Recent results and near-term op- portunities are described to exploit controlled functionality of nanomaterials for photoemission. An overview of the requirements and status is provided.

47 OTHER INSTRUMENTATION↗

Radiative capture rates at deep defects from electronic structure calculations

We present a methodology to calculate radiative carrier capture coefficients at deep defects in semiconductors and insulators from first principles. Electronic structure and lattice relaxations are accurately described with hybrid density functional theory. Calculations of capture coefficients provide an additional validation of the accuracy of these functionals in dealing with localized defect states. We also discuss the validity of the Condon approximation, showing that even in the event of large lattice relaxations the approximation is accurate. We test the method on GaAs:VGa-TeAs and GaN:CN, for which reliable experiments are available, and demonstrate very good agreement with measured capture coefficients.

36 MATERIALS SCIENCE↗

Erratum: Lévy-stable two-pion Bose-Einstein correlations in s N N = 200 GeV Au + Au collisions [Phys. Rev. C 97 , 064911 (2018)]

We previously published in 2018 a detailed measurement recorded in 2010 for Au+Au collisions at $\sqrt{^SNN}$ = 200 GeV of charged two-pion correlation functions in 0%-30% centrality. We found the data to be well described by Bose-Einstein correlation functions stemming from L$\acute{e}$vy-stable source distributions. Using a fine transverse momentum binning, we extracted the correlation strength parameter λ, the L$\acute{e}$vy index of stability α and the L$\acute{e}$vy length scale parameter R as a function of average transverse mass of the pair m T .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Three-cluster dynamics within the ab initio no-core shell model with continuum: How many-body correlations and α clustering shape He 6 [Three-Cluster Dynamics Within The Ab Initio No-Core Shell Model With Continuum: How Many-Body Correlations And Alpha-Clustering Shape 6He]

We realize the treatment of bound and continuum nuclear systems in the proximity of a three-body breakup threshold within the ab initio framework of the no-core shell model with continuum. Many-body eigenstates obtained from the diagonalization of the Hamiltonian within the harmonic-oscillator expansion of the no-core shell model are coupled with continuous microscopic three-cluster states to correctly describe the nuclear wave function both in the interior and asymptotic regions. We discuss the formalism in detail and give algebraic expressions for the case of core + n + n systems. Using similarity-renormalization-group evolved nucleon-nucleon interactions, we analyze the role of 4 He + n + n clustering and many-body correlations in the ground and low-lying continuum states of the Borromean 6 He nucleus, and study the dependence of the energy spectrum on the resolution scale of the interaction. We show that 6 He small binding energy and extended radii compatible with experiment can be obtained simultaneously, without resorting to extrapolations. Here, we also find that a significant portion of the ground-state energy and the narrow width of the first 2 + resonance stem from many-body correlations that can be interpreted as core-excitation effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

APS Data Management System

As the capabilities of modern X-ray detectors and acquisition technologies increase, so do the data rates and volumes produced at synchrotron beamlines. This brings into focus a number of challenges related to managing data at such facilities, including data transfer, near real-time data processing, automated processing pipelines, data storage, handling metadata and remote user access to data. The Advanced Photon Source Data Management System software is designed to help beamlines deal with these issues. Finally, this paper presents the system architecture and describes its components and functionality; the system's current usage is discussed, examples of its use have been provided and future development plans are outlined.

97 MATHEMATICS AND COMPUTING↗

Reduction of small-angle scattering profiles to finite sets of structural invariants

This paper shows how small-angle scattering (SAS) curves can be decomposed in a simple sum using a set of invariant parameters called K n which are related to the shape of the object of study. These K n , together with a radius R , give a complete theoretical description of the SAS curve. Adding an overall constant, these parameters are easily fitted against experimental data giving a concise comprehensive description of the data. The pair distance distribution function is also entirely described by this invariant set and the D max parameter can be measured. In addition to the understanding they bring, these invariants can be used to reliably estimate structural moments beyond the radius of gyration, thereby rigorously expanding the actual set of model-free quantities one can extract from experimental SAS data, and possibly paving the way to designing new shape reconstruction strategies.

Houdayer, Jérôme↗

Changes in leaf economic trait relationships across a precipitation gradient are related to differential gene expression in a C 4 perennial grass

Summary The leaf economics spectrum (LES) describes a suite of functional traits that consistently covary at large spatial and taxonomic scales. Despite its importance at these larger scales, few studies have examined the major drivers of intraspecific variation in the LES – phenotypic plasticity and standing genetic variation. Using experimental precipitation manipulations, we examined whether covariation among leaf economics traits and selection on leaf economics traits and trait combinations change as diverse genotypes of the widespread perennial grass Panicum virgatum are exposed to differences in precipitation. We also used RNA‐Seq to examine whether groups of co‐expressed genes that align with leaf economics traits function in processes hypothesized to underlie the LES. Water availability impacted leaf economics trait covariation in important ways – covariation between leaf economics traits and selection on covariation between traits (i.e. correlational selection) tended to be strongest when water availability was high. Additionally, many genes associated with leaf economics traits functioned in processes that may explain how the LES originates, such as chloroplasts, cell walls, and nitrogen metabolism. Water availability is likely an important modulator of selection and evolution of the LES in P. virgatum that can be better understood by examining gene expression.

Heckman, Robert W. [Department of Integrative Biol↗

A reference tissue atlas for the human kidney

Kidney Precision Medicine Project (KPMP) is building a spatially specified human kidney tissue atlas in health and disease with single-cell resolution. Here, we describe the construction of an integrated reference map of cells, pathways, and genes using unaffected regions of nephrectomy tissues and undiseased human biopsies from 56 adult subjects. We use single-cell/nucleus transcriptomics, subsegmental laser microdissection transcriptomics and proteomics, near-single-cell proteomics, 3D and CODEX imaging, and spatial metabolomics to hierarchically identify genes, pathways, and cells. Integrated data from these different technologies coherently identify cell types/subtypes within different nephron segments and the interstitium. These profiles describe cell-level functional organization of the kidney following its physiological functions and link cell subtypes to genes, proteins, metabolites, and pathways. They further show that messenger RNA levels along the nephron are congruent with the subsegmental physiological activity. This reference atlas provides a framework for the classification of kidney disease when multiple molecular mechanisms underlie convergent clinical phenotypes.

59 BASIC BIOLOGICAL SCIENCES↗

Dependence of energy resolution of a plane-parallel HPGe detector on bias voltage upon registration of low-energy X-rays

In this study, we theoretically analyze the processes in a plane-parallel high-purity germanium (HPGe) detector. The generating function of factorial moments describing the process of registration of low-energy X-rays by the HPGe detector with consideration of capture of charge carriers by traps is obtained. It is demonstrated that the coefficients of expansion of the average signal amplitude and variance in power series over the quantity inversely proportional to the bias voltage of the detector allow one to determine the Fano factor, the product of the charge carrier lifetime and mobility, and other characteristics of the semiconductor material of the detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characteristics of the 2 m long scintillation counters measured by detecting 90 MeV protons

The characteristics of scintillation counters measured in a 90-MeV proton beam have been presented. Two-meter long scintillators BC-404 and BC-408, which were viewed from both ends with photoelectron multipliers R1828-01 (PMT) have been used. Both the amplitude and time distributions of the PMT signals are well described by the Gaussian function. It turned out that the amplitude resolution σ(А)/А weakly depends on the type of scintillator and the proton position along the counter, and lies in the interval between 4 and 5%. The best time resolution σ(T) is about 50 ps near the counter ends and 63 ps at the center.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Multiphonon Intracenter Relaxation of Boron Acceptor States in Diamond

The relaxation rates are calculated in the adiabatic approximation, in which the steady-state impurity states are taken to be electronic-vibrational (vibronic) states. The probabilities of transitions between these states with the emission (or absorption) of one or several phonons are calculated in first-order perturbation theory on the assumption that the transitions are a result of the violation of adiabaticity. The electron part of the wave function of the vibronic state is described by a simple Hamiltonian with an isotropic effective mass. The wave function of the ground state is determined by the quantum defect method. According to the calculations, a hole relaxes from the excited boron acceptor state, whose energy is 304 meV higher than the energy of the ground state, to the ground state with the emission of two optical phonons with a rate of ~10{sup 11} s{sup –1}. This value is an estimate from above, since the model of nondispersive optical phonons used in the study overestimates the number of phonon modes, whose participation in relaxation is allowed by the energy conservation law. However, despite the rough approximation, it can be concluded that the multiphonon relaxation of boron acceptor states in diamond is a fast process.

36 MATERIALS SCIENCE↗

Magnetic Resonance in Gadolinium Nanoparticles near the Curie Point

The Influence of temperature in the range from 275 to 320 K on ESR spectra and magnetization m of ensembles of spherical gadolinium nanoparticles with the diameter from 89 to 18 nm was studied. The particles with d = 18 nm had a cubic face centered structure and no magnetic transition. At T > T{sub C} all particles were paramagnetic, and their g factors were g = 1.98 ± 0.02 irrespective of their size and structure. At T = T{sub C} the particles having 28 to 89 nm in size experienced a magnetic and orientation transition; at T < T{sub C} their m(H) dependences were described by the Langevin function, and the FMR lines broadened and shifted towards H = 0. FMR lines of the Gd particle ensembles showed a hysteresis behavior during magnetization reversal, which did not correlate with the coercivity of the particles. Dependences of the Gd nanoparticles FMR linewidth ΔH(T) changed proportionally to |T–T{sub C}|.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Apache Calcite: A Foundational Framework for Optimized Query Processing Over Heterogeneous Data Sources

Apache Calcite is a foundational software framework that provides query processing, optimization, and query language support to many popular open-source data processing systems such as Apache Hive, Apache Storm, Apache Flink, Druid, and MapD. The goal of this paper is to formally introduce Calcite to the broader research community, brie y present its history, and describe its architecture, features, functionality, and patterns for adoption. Calcite's architecture consists of a modular and extensible query optimizer with hundreds of built-in optimization rules, a query processor capable of processing a variety of query languages, an adapter architecture designed for extensibility, and support for heterogeneous data models and stores (relational, semi-structured, streaming, and geospatial). This exible, embeddable, and extensible architecture is what makes Calcite an attractive choice for adoption in big-data frameworks. It is an active project that continues to introduce support for the new types of data sources, query languages, and approaches to query processing and optimization.

Begoli, Edmon↗

Predicting Ga and Cu Profiles in Co-Evaporated Cu(In,Ga)Se 2 Using Modified Diffusion Equations and a Spreadsheet

Cu(In,Ga)Se 2 (CIGS) photovoltaic absorbers frequently develop Ga gradients during growth. These gradients vary as a function of growth recipe, and are important to device performance. Prediction of Ga profiles using classic diffusion equations is not possible because In and Ga atoms occupy the same lattice sites and thus diffuse interdependently, and there is not yet a detailed experimental knowledge of the chemical potential as a function of composition that describes this interaction. Here, we show how diffusion equations can be modified to account for site sharing between In and Ga atoms. The analysis has been implemented in an Excel spreadsheet, and outputs predicted Cu, In, and Ga profiles for entered deposition recipes. A single set of diffusion coefficients and activation energies are chosen, such that simulated elemental profiles track with published data and those from this study. Extent and limits of agreement between elemental profiles predicted from the growth recipes and the spreadsheet tool are demonstrated.

14 SOLAR ENERGY↗