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At least 289 records · Page 16

GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn-Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. We present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. Using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code.

Eisenbach, Markus↗

Strangeness enhancement at its extremes: multiple (multi-)strange hadron production in pp collisions at \(\sqrt{s}=5.02\) TeV

The probability to observe a specific number of strange and multi-strange hadrons (nS), denoted as P(nS), is measured by ALICE at midrapidity (|y| < 0.5) in $$\sqrt{s}=5.02$$ TeV proton-proton (pp) collisions, dividing events into several multiplicity-density classes. Exploiting, for the first time, a technique based on counting the number of strange-particle candidates event-by-event, this measurement allows one to extend the study of strangeness production beyond the mean of the distribution. This constitutes a new test bench for production mechanisms, probing events with a large imbalance between strange and non-strange content. The analysis of a large-statistics data sample makes it possible to extract P(nS) up to a maximum nS of 7 for $${\text{K}}_{\text{S}}^{0}$$, 5 for Λ and $$\overline{\Lambda }$$, 4 for Ξ− and $${\overline{\Xi } }^{+}$$, and 2 for Ω− and $${\overline{\Omega } }^{+}$$. From this, the probability of producing strange hadron multiplets per event is calculated, thereby enabling the extension of the study of strangeness enhancement to extreme situations where several strange quarks hadronize in a single event at midrapidity. Moreover, comparing hadron combinations with different u and d quark compositions and equal overall s quark content, the contribution to the enhancement pattern coming from non-strangeness related mechanisms is isolated. The results are compared with state-of-the-art phenomenological models implemented in commonly used Monte Carlo event generators, including PYTHIA 8 Monash 2013, PYTHIA 8 with QCD-based Color Reconnection and Rope Hadronization (QCD-CR + Ropes), and EPOS LHC, which incorporates both partonic interactions and hydrodynamic evolution. These comparisons show that the new approach dramatically enhances the sensitivity to the different underlying physics mechanisms modeled by each generator.

Abualrob, I J↗

The Surface-Topography Challenge: A Multi-Laboratory Benchmark Study to Advance the Characterization of Topography

Surface performance is critically influenced by topography in virtually all real-world applications. The current standard practice is to describe topography using one of a few industry-standard parameters. The most commonly reported number is Ra, the average absolute deviation of the height from the mean line (at some, not necessarily known or specified, lateral length scale). However, other parameters, particularly those that are scale-dependent, influence surface and interfacial properties; for example the local surface slope is critical for visual appearance, friction, and wear. The present Surface-Topography Challenge was launched to raise awareness for the need of a multi-scale description, but also to assess the reliability of different metrology techniques. In the resulting international collaborative effort, 153 scientists and engineers from 64 research groups and companies across 20 countries characterized statistically equivalent samples from two different surfaces: a “rough” and a “smooth” surface. The results of the 2088 measurements constitute the most comprehensive surface description ever compiled. We find wide disagreement across measurements and techniques when the lateral scale of the measurement is ignored. Consensus is established through scale-dependent parameters while removing data that violates an established resolution criterion and deviates from the majority measurements at each length scale. Our findings suggest best practices for characterizing and specifying topography. The public release of the accumulated data and presented analyses enables global reuse for further scientific investigation and benchmarking.

42 ENGINEERING↗

GPU acceleration of the Locally Selfconsistent Multiple Scattering code for first principles calculation of the ground state and statistical physics of materials

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn–Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. In this paper, we present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. We reimplement the scattering matrix calculation for GPUs with a block matrix inversion algorithm that only uses accelerator memory. Finally, using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code.

36 MATERIALS SCIENCE↗

The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Carlo simulations

A window-based steady-state detection algorithm has been developed for application to kinetic Monte Carlo simulation data. The algorithm, termed F-t-Pj-RG sequentially applies an F-test, a t-test, and a projection test on adjacent windows of the data while rolling (or shifting) and growing the windows when any of the tests fail. In aggregate, the algorithm is able to (a) automatically reject the warm-up period as not being at steady-state, as well as (b) determine an appropriate window size for converged statistics when sampling the data, which is necessary for detection of steady-state, and (c) detect steady-state within a particular tolerance. The last step, the projection test, is actually an oscillating-slope projection test, and is performed on j sequential data windows (i.e., more than two adjacent windows). It requires more than simply being within the user defined tolerance: the oscillating-slope projection test includes a condition that the slope must oscillate around zero when 2, which is an additional indication of steady-state. When all three tests are passed, the F-t-Pj test is passed, indicating that the prerequisites of steady-state detection have been met and also that conditions consistent with the definition of steady-state have been realized. This algorithm is applied to a variety of data sets that correspond to the diverse type of data trends that can be produced by kinetic Monte Carlo simulations. The algorithm is shown to be robust in its ability to handle differing functional forms, and is able to detect steady-state with low computational cost. Finally, the low computational cost of this method and its robustness towards varied data trends make it suitable for on-the-fly use in kinetic Monte Carlo simulations.

97 MATHEMATICS AND COMPUTING↗

Analysis of time-dependent strain heterogeneity in shales using X-ray microscopy and digital volume correlation

In this paper, we report the results of a 4-dimensional (3 spatial dimensions plus time) in-situ creep experiment on a milli-core shale plug from Barnett formation in Texas. An outstanding challenge in shale mechanics is connecting observable characteristics to predictable mechanical and hydraulic behavior. We employ novel imaging and analysis techniques to statistically link sample mineralogy and structure to observed deformation. In particular, we focus on mechanisms of porosity reduction during transient response to step changes in stress, analogous to the aseismic deformation that occurs after an episode of fracturing. Our main goal in this study is to take the first steps to visualize and capture the small-scale deformation mechanisms involved in creep of shales, using imaging techniques. To do so, we conducted a uniaxial creep experiment inside an Xradia Versa 520 micro-CT system for 12 h at room temperature under a constant uniaxial stress of 25 MPa. We employed a Digital Volume Correlation (DVC) method to measure micro-scale deforspmation of the sample by comparing the resulting volumetric images with a high-resolution scan of the sample obtained prior to the creep experiment. The results indicate that the time-dependent deformation in the compliant clay plus kerogen matrix constituents facilitates rigid grain rotation and compaction of intergranular porosity at the boundary between rigid grains and matrix.

58 GEOSCIENCES↗

Probing late-stage hadronic interactions at high baryon density via $K^{⁎0}$ production in the RHIC beam energy scan program

A precision measurement of the $K^{⁎0}$ meson yield is reported in Au+Au collisions at $\sqrt{s_{NN}}$ = 7.7, 11.5, 14.6, 19.6, and 27 GeV using the high-statistics data sample collected by the STAR experiment during the Beam Energy Scan II (BES-II) program at RHIC. The transeverse momentum (p T )-integrated yield ratios $\large{(}K^{⁎0} + \overline{K^{⁎0}}\large{)}/(K^+ + K^{-})$ in central collisions show a suppression relative to peripheral collisions at the (1.7–3.6) σ level, while a thermal model without final-stage rescattering overpredicts this ratio with a deviation of (6.9–8.2) σ. These results indicate a loss of the measured $K^{⁎0}$ signal in central collisions due to re-scattering of its hadronic decay products in the hadronic phase. The p T -integrated yield of charged kaons exhibits an approximate scaling with charged-particle multiplicity, independent of collision energy and system size. A similar trend is observed for the short-lived $K^{⁎0}$ resonance, although significant deviations emerge at lower energies. At BES energies, the $K^{⁎0}/K$ ratio shows stronger suppression than at the highest RHIC and LHC energies within a given multiplicity bin, particularly in central and mid-central collisions. This behavior is consistent with changes in the effective hadronic interaction cross section and is supported by transport model calculations, which indicate dominant meson–baryon interactions at lower energies and meson–meson interactions at higher energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Water freezing and ice melting

The generalized replica exchange method (gREM) is designed to sample states with coexisting phases and thereby to describe strong first order phase transitions. The isobaric MD version of the gREM is presented and applied to freezing of liquid water, and melting of hexagonal and cubic ice. It is confirmed that coexisting states are well sampled. The statistical temperature as a function of enthalpy, T S (H), is obtained. Hysteresis between freezing and melting is observed and discussed. The entropic analysis of phase transitions is applied and equilibrium transition temperatures, latent heats, and surface tensions are obtained for hexagonal ice↔liquid and cubic ice↔liquid, with excellent agreement with published values. A new method is given to assign water molecules among various symmetry types. As a result, pathways for water freezing, ultimately leading to hexagonal ice, are found to contain intermediate layered structures built from hexagonal and cubic ice.

36 MATERIALS SCIENCE↗

How are Heterogeneous Nucleation Rate Observations Influenced by Instrument Resolution?

Experimental measurements of the heterogeneous nucleation rate rely on counting the number of nuclei with time. However, the size of a thermodynamically stable nucleus is often a few nanometers in diameter and is below the resolution of most (in situ) measurement techniques that provide a statistically valid sample. Due to the finite resolution of the instruments and analysis methods, it is challenging to capture the incipient nuclei and the subsequent evolution of nuclei density over time. In this work, we demonstrate the impact of instrument resolution on observed nuclei densities by comparing numerical modeling with experimental results. Further, to achieve this, we implemented heterogeneous nucleation within the pore-scale reactive transport modeling framework using classical nucleation theory (CNT). We compared the modeling results with nucleation rates measured using X-ray nanotomography (XnT) and evaluated how these impact the apparent values of the prefactor and interfacial energy based on CNT and the crystal growth rate. Specifically, we applied a resolution threshold (artificial resolution limit) in the model during nuclei counting to resemble an experimental resolution, ranging from 15 to 500 nm. The findings reveal that the instrument resolution significantly impacts the apparent prefactor and interfacial energy. Both apparent prefactor and interfacial energy decrease with a decrease in the instrument resolution. While deviation in the prefactor due to resolution is anticipated, those in the interfacial energy are unexpected. The approach described here allows one to correct apparent nucleation rates that depend on the instrument’s resolution to derive “intrinsic” CNT parameters for the prefactor and interfacial energy.

47 OTHER INSTRUMENTATION↗

Hidden depths in the local Universe: The Stellar Stream Legacy Survey

Context. Mergers and tidal interactions between massive galaxies and their dwarf satellites are a fundamental prediction of the Lambda-cold dark matter cosmology. These events are thought to provide important observational diagnostics of non-linear structure formation. Stellar streams in the Milky Way and Andromeda are spectacular evidence for ongoing satellite disruption. However, constructing a statistically meaningful sample of tidal streams beyond the Local Group has proven a daunting observational challenge, and the full potential for deepening our understanding of galaxy assembly using stellar streams has yet to be realised. Aims. Here we introduce the Stellar Stream Legacy Survey, a systematic imaging survey of tidal features associated with dwarf galaxy accretion around a sample of ~3100 nearby galaxies within z~0.02, including about 940 Milky Way analogues. Methods. Our survey exploits public deep imaging data from the DESI Legacy Imaging Surveys, which reach surface brightness as faint as ~29 mag arcsec –2 in the r band. As a proof of concept of our survey, we report the detection and broad-band photometry of 24 new stellar streams in the local Universe. Results. We discuss how these observations can yield new constraints on galaxy formation theory through comparison to mock observations from cosmological galaxy simulations. These tests will probe the present-day mass assembly rate of galaxies, the stellar populations and orbits of satellites, the growth of stellar halos, and the resilience of stellar disks to satellite bombardment.

79 ASTRONOMY AND ASTROPHYSICS↗

Discovery of four doubly imaged quasar lenses from the Sloan digital sky survey

We report the discovery of four doubly imaged quasar lenses. All the four systems are selected as lensed quasar candidates from the Sloan Digital Sky Survey data. We confirm their lensing hypothesis with additional imaging and spectroscopic follow-up observations. The discovered lenses are SDSS J0743+2457 with the source redshift z{sub s} = 2.165, the lens redshift z{sub l} = 0.381, and the image separation θ = 1.''034, SDSS J1128+2402 with z{sub s} = 1.608 and θ = 0.''844, SDSS J1405+0959 with z{sub s} = 1.810, z{sub l} ≈ 0.66, and θ = 1.''978, and SDSS J1515+1511 with z{sub s} = 2.054, z{sub l} = 0.742, and θ = 1.''989. It is difficult to estimate the lens redshift of SDSS J1128+2402 from the current data. Two of the four systems (SDSS J1405+0959 and SDSS J1515+1511) are included in our final statistical lens sample to derive constraints on dark energy and the evolution of massive galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Photometric and structural properties of NGC 6544: A combined VVV-Hubble space telescope study

We combine archival Hubble Space Telescope imaging with wide-field near-infrared photometry to study the neglected metal-poor Galactic globular cluster NGC 6544. A high spatial resolution map of differential reddening over the inner portion of the cluster is constructed, revealing variations of up to half of the total reddening, and the resulting corrected color-magnitude diagrams reveal a sparse blue horizontal branch and centrally concentrated blue straggler population, verified via relative proper motions. Using the corrected photometry to investigate the cluster distance, reddening, and age via direct comparison to well-calibrated photometry of clusters with similar metallicities, we estimate (m – M){sub 0} = 11.96, E(B – V) = 0.79, and an age coeval with M13 to within the relevant uncertainties. Although our data are insufficient to place tight constraints on the reddening law toward NGC 6544, we find no strong evidence that it is non-standard at optical or near-infrared wavelengths. We also provide near-infrared fiducial sequences extending nearly 2 mag below the cluster main sequence turnoff, generated from a statistically decontaminated sample of cluster stars. Lastly, we redetermine the cluster center and construct a radial number density profile which is well fit by an atypically flat power law with a slope of about 1.7. We discuss this result, together with a flattened main sequence luminosity function and inverted mass function, in the context of mass segregation and tidal stripping via interactions with Milky Way potential.

79 ASTRONOMY AND ASTROPHYSICS↗

CAN H{sub 2}CCC BE THE CARRIER OF BROAD DIFFUSE BANDS?

The recent assignment of two broad diffuse interstellar bands (DIBs) near 4882 and 5450 A to the propadienylidene (l-C{sub 3}H{sub 2}) molecule is examined using a statistically meaningful sample of targets. Our spectra clearly show that the strength ratio of two broad DIBs is strongly variable, contrary to what should be observed if both features are due to l-C{sub 3}H{sub 2}, since the proposed transitions are lifetime broadened and start from the same level. Moreover, even in directions where the 4882 DIB and 5450 DIB are strong, the third expected l-C{sub 3}H{sub 2} band, in the 5165-5185 A region, is absent. Another puzzling characteristic of l-C{sub 3}H{sub 2} as the proposed carrier of both broad diffuse bands is its column density of several 10{sup 14} cm{sup -2}, inferred from the equivalent width of the 5450 DIB. This value is one order of magnitude higher than N(CH) toward the same objects and two to three orders of magnitude higher than N(H{sub 2}CCC), measured at radio frequencies in absorption, for comparable samples of the diffuse medium. We conclude that the proposed identification of broad DIBs is unjustified.

79 ASTRONOMY AND ASTROPHYSICS↗

PLANETARY NEBULAE IN THE ELLIPTICAL GALAXY NGC 4649 (M 60): KINEMATICS AND DISTANCE REDETERMINATION

Using a slitless spectroscopy method with (1) the 8.2 m Subaru telescope and its FOCAS Cassegrain spectrograph and (2) the ESO Very Large Telescope unit 1 (Antu) and its FORS2 Cassegrain spectrograph, we have detected 326 planetary nebulae (PNs) in the giant Virgo elliptical galaxy NGC 4649 (M 60) and measured their radial velocities. After rejecting some PNs more likely to belong to the companion galaxy NGC 4647, we have built a catalog with kinematic information for 298 PNs in M 60. Using these radial velocities, we have concluded that they support the presence of a dark matter halo around M 60. Based on an isotropic, two-component Hernquist model, we estimate the dark matter halo mass within 3R{sub e} to be 4 x 10{sup 11} M{sub sun}, which is almost one-half of the total mass of about 10{sup 12} M{sub sun} within 3R{sub e}. This total mass is similar to that estimated from globular cluster, XMM-Newton, and Chandra observations. The dark matter becomes dominant outside. More detailed dynamical modeling of the PN data is being published in a companion paper. We have also measured the m(5007) magnitudes of many of these PNs and built a statistically complete sample of 218 PNs. The resulting PN luminosity function (PNLF) was used to estimate a distance modulus of 30.7 {+-} 0.2 mag, equivalent to 14 {+-} 1 Mpc. This confirms an earlier PNLF distance measurement based on a much smaller sample. The PNLF distance modulus remains smaller than the surface brightness fluctuation distance modulus by 0.4 mag.

79 ASTRONOMY AND ASTROPHYSICS↗

QUANTIFYING THE BIASES OF SPECTROSCOPICALLY SELECTED GRAVITATIONAL LENSES

Spectroscopic selection has been the most productive technique for the selection of galaxy-scale strong gravitational lens systems with known redshifts. Statistically significant samples of strong lenses provide a powerful method for measuring the mass-density parameters of the lensing population, but results can only be generalized to the parent population if the lensing selection biases are sufficiently understood. We perform controlled Monte Carlo simulations of spectroscopic lens surveys in order to quantify the bias of lenses relative to parent galaxies in velocity dispersion, mass axis ratio, and mass-density profile. For parameters typical of the SLACS and BELLS surveys, we find (1) no significant mass axis ratio detection bias of lenses relative to parent galaxies; (2) a very small detection bias toward shallow mass-density profiles, which is likely negligible compared to other sources of uncertainty in this parameter; (3) a detection bias toward smaller Einstein radius for systems drawn from parent populations with group- and cluster-scale lensing masses; and (4) a lens-modeling bias toward larger velocity dispersions for systems drawn from parent samples with sub-arcsecond mean Einstein radii. This last finding indicates that the incorporation of velocity-dispersion upper limits of non-lenses is an important ingredient for unbiased analyses of spectroscopically selected lens samples. In general, we find that the completeness of spectroscopic lens surveys in the plane of Einstein radius and mass-density profile power-law index is quite uniform, up to a sharp drop in the region of large Einstein radius and steep mass-density profile, and hence that such surveys are ideally suited to the study of massive field galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

THE SUPPRESSION OF STAR FORMATION AND THE EFFECT OF THE GALAXY ENVIRONMENT IN LOW-REDSHIFT GALAXY GROUPS

Understanding the interaction between galaxies and their surroundings is central to building a coherent picture of galaxy evolution. Here we use Galaxy Evolution Explorer imaging of a statistically representative sample of 23 galaxy groups at z Almost-Equal-To 0.06 to explore how local and global group environments affect the UV properties and dust-corrected star formation rates (SFRs) of their member galaxies. The data provide SFRs out to beyond 2R{sub 200} in all groups, down to a completeness limit and limiting galaxy stellar mass of 0.06 M{sub Sun} yr{sup -1} and 1 Multiplication-Sign 10{sup 8} M{sub Sun }, respectively. At fixed galaxy stellar mass, we find that the fraction of star-forming group members is suppressed relative to the field out to an average radius of R Almost-Equal-To 1.5 Mpc Almost-Equal-To 2R{sub 200}, mirroring results for massive clusters. For the first time, we also report a similar suppression of the specific SFR within such galaxies, on average by 40% relative to the field, thus directly revealing the impact of the group environment in quenching star formation within infalling galaxies. At fixed galaxy density and stellar mass, this suppression is stronger in more massive groups, implying that both local and global group environments play a role in quenching. The results favor an average quenching timescale of {approx}> 2 Gyr and strongly suggest that a combination of tidal interactions and starvation is responsible. Despite their past and ongoing quenching, galaxy groups with more than four members still account for at least {approx}25% of the total UV output in the nearby universe.

79 ASTRONOMY AND ASTROPHYSICS↗

UNIFICATION SCHEME OF RADIO GALAXIES AND QUASARS FALSIFIED BY THEIR OBSERVED SIZE DISTRIBUTIONS

In the currently popular orientation-based unified scheme, a radio galaxy appears as a quasar when its principal radio-axis happens to be oriented within a certain cone opening angle around the observer's line of sight. Due to geometrical projection, the observed sizes of quasars should therefore appear smaller than those of radio galaxies. We show that this simple, unambiguous prediction of the unified scheme is not borne out by the actually observed angular sizes of radio galaxies and quasars. Except in the original 3CR sample, based on which the unified scheme was proposed, in other much larger samples no statistically significant difference is apparent in the size distributions of radio galaxies and quasars. The population of low-excitation radio galaxies with apparently no hidden quasars inside, which might explain the observed excess number of radio galaxies at low redshifts, cannot account for the absence of any foreshortening of the sizes of quasars at large redshifts. On the other hand, from infrared and X-ray studies, there is evidence of a hidden quasar within a dusty torus in many radio galaxies, at z > 0.5. It is difficult to reconcile this with the absence of foreshortening of quasar sizes at even these redshifts, and perhaps one has to allow that the major radio axis may not have anything to do with the optical axis of the torus. Otherwise, to resolve the dichotomy of radio galaxies and quasars, a scheme quite different from the present might be required.

79 ASTRONOMY AND ASTROPHYSICS↗