Resolution Study for Three-dimensional Supernova Simulations with the Prometheus-Vertex Code

We present a carefully designed, systematic study of the angular resolution dependence of simulations with the Prometheus-Vertex neutrino-hydrodynamics code. Employing a simplified neutrino heating-cooling scheme in the Prometheus hydrodynamics module allows us to sample the angular resolution between 4 degrees and 0.5 degrees. With a newly-implemented static mesh refinement (SMR) technique on the Yin-Yang grid, the angular coordinates can be refined in concentric shells, compensating for the diverging structure of the spherical grid. In contrast to previous studies with Prometheus and other codes, we find that higher angular resolution and therefore lower numerical viscosity provides more favorable explosion conditions and faster shock expansion. We discuss the possible reasons for the discrepant results. The overall dynamics seem to converge at a resolution of about 1 degree. Applying the SMR setup to marginally exploding progenitors is disadvantageous for the shock expansion, however, because kinetic energy of downflows is dissipated to internal energy at resolution interfaces, leading to a loss of turbulent pressure support and a steeper temperature gradient. We also present a way to estimate the numerical viscosity on grounds of the measured turbulent kinetic-energy spectrum, leading to smaller values that are better compatible with the flow behavior witnessed in our simulations than results following calculations in previous literature. Interestingly, the numerical Reynolds numbers in the turbulent, neutrino-heated postshock layer (some 10 to several 100) are in the ballpark of expected neutrino-drag effects on the relevant length scales in the turbulent postshock layer. We provide a formal derivation and quantitative assessment of the neutrino drag terms in an appendix.Comment: 37 pages, 14 figures, 4 tables; revised version with neutrino drag discussion extended for numerical evaluation; accepted by Ap

Neutrino emission characteristics of black hole formation in three-dimensional simulations of stellar collapse

Neutrinos are unique probes of core-collapse supernova dynamics, especially in the case of black hole (BH) forming stellar collapses, where the electromagnetic emission may be faint or absent. By investigating two 3D hydrodynamical simulations of BH-forming stellar collapses of mass 40 and 75 M_sun, we identify the physical processes preceding BH formation through neutrinos, and forecast the neutrino signal expected in the existing IceCube and Super-Kamiokande detectors, as well as in the future generation DUNE facility. Prior to the abrupt termination of the neutrino signal corresponding to BH formation, both models develop episodes of strong and long-lasting activity by the spiral standing accretion shock instability (SASI). We find that the spiral SASI peak in the Fourier power spectrum of the neutrino event rate will be distinguishable at 3 sigma above the detector noise for distances up to O(30) kpc in the most optimistic scenario, with IceCube having the highest sensitivity. Interestingly, given the long duration of the spiral SASI episodes, the spectrograms of the expected neutrino event rate carry clear signs of the evolution of the blue spiral SASI frequency as a function of time, as the shock radius and post-shock fluid velocity evolve. Due to the high accretion luminosity and its large-amplitude SASI-induced modulations, any contribution from asymmetric (dipolar or quadrupolar) neutrino emission associated with the lepton emission self-sustained asymmetry (LESA) is far subdominant in the neutrino signal.Comment: 25 pages, including 19 figures. Discussion on LESA expanded; conclusions unchanged. Matches version accepted for publication in Phys. Rev. D. Animated visualizations available at: https://wwwmpa.mpa-garching.mpg.de/ccsnarchive/data/Walk2019

Stellar Collapse Diversity and the Diffuse Supernova Neutrino Background

The diffuse cosmic supernova neutrino background (DSNB) is observational target of the gadolinium-loaded Super-Kamiokande (SK) detector and the forthcoming JUNO and Hyper-Kamiokande detectors. Current predictions are hampered by our still incomplete understanding of the supernova (SN) explosion mechanism and of the neutron star (NS) equation of state and maximum mass. In our comprehensive study we revisit this problem on grounds of the landscapes of successful and failed SN explosions obtained by Sukhbold et al. and Ertl et al. with parametrized one-dimensional neutrino engines for large sets of single-star and helium-star progenitors, with the latter serving as proxy of binary evolution effects. Besides considering engines of different strengths, leading to different fractions of failed SNe with black-hole (BH) formation, we also vary the NS mass limit, the spectral shape of the neutrino emission, and include contributions from poorly understood alternative NS-formation channels such as accretion-induced or merger-induced collapse events. Since the neutrino signals of our large model sets are approximate, we calibrate the associated degrees of freedom by using state-of-the-art simulations of proto-neutron star cooling. Our predictions are higher than other recent ones because of a large fraction of failed SNe with long delay to BH formation. Our best-guess model predicts a DSNB electron-antineutrino-flux of 28.8^{+24.6}_{-10.9} cm^{-2}s^{-1} with 6.0^{+5.1}_{-2.1} cm^{-2}s^{-1} in the favorable measurement interval of [10,30] MeV, and 1.3^{+1.1}_{-0.4} cm^{-2}s^{-1} with electron-antineutrino energies > 17.3 MeV, which is roughly a factor of two below the current SK limit. The uncertainty range is dominated by the still insufficiently constrained cosmic rate of stellar core-collapse events.Comment: 43 pages, 16 figures, 10 tables; revised version with new Sections 6 & 9, and new Appendix E; accepted by Ap

Production of 44Ti and iron-group nuclei in the ejecta of 3D neutrino-driven supernovae

The radioactive isotopes of 44Ti and 56Ni are important products of explosive nucleosynthesis, which play a key role for supernova (SN) diagnostics and were detected in several nearby young SN remnants. However, most SN models based on non-rotating single stars predict yields of 44Ti that are much lower than the values inferred from observations. We present, for the first time, the nucleosynthesis yields from a self-consistent three-dimensional (3D) SN simulation of an approximately 19 Msun progenitor star that reaches an explosion energy comparable to that of SN 1987A and that covers the evolution of the neutrino-driven explosion until more than 7 seconds after core bounce. We find a significant enhancement of the Ti/Fe yield compared to recent spherically symmetric (1D) models and demonstrate that the long-time evolution is crucial to understand the efficient production of 44Ti due to the non-monotonic temperature and density histories of ejected mass elements. Additionally, we identify characteristic signatures of the nucleosynthesis in proton-rich ejecta, in particular high yields of 45Sc and 64Zn.Comment: 12 pages, 7 Figures, accepted for publication in ApJ

First-principles investigation of electron-induced cross-linking of aromatic self-assembled monolayers on Au(111)

We have performed a density functional theory study of the possible layered geometries occurring after dehydrogenation of a self-assembled monolayer (SAM) of biphenyl-thiol molecules (BPTs) adsorbed on a Au(111), as it has been experimentally observed for low energy electron irradiated SAMs of 4'-nitro-1,1'-biphenyl-thiol adsorbed on a Au(111) surface. [Eck, W. et al., Advanced Materials 2000, 12, 805] Cross-link formation between the BPT molecules has been analyzed using different models with different degrees of complexity. We start by analyzing the bonding between biphenyl (BP) molecules in a lineal dimer and their characteristic vibration frequencies. Next, we consider the most stable cross-linked structures formed in an extended free-standing monolayer of fully dehydrogenated BP molecules. Finally, we analyze a more realistic model where the role of the Au(111) substrate and sulphur head groups is explicitly taken into account. In this more complex model, the dehydrogenated BPT molecules are found to interact covalently to spontaneously form "graphene-like" nanoflakes. We propose that these nanographenes provide plausible building-blocks for the structure of the carbon layers formed by electron irradiation of BPT-SAMs. In particular, it is quite tempting to visualize those structures as the result of the cross-link and entanglement of such graphene nanoflakes.Comment: 9 pages, 5 figure

First-principles study of the atomic and electronic structure of the Si(111)-(5x2-Au surface reconstruction

We present a systematic study of the atomic and electronic structure of the Si(111)-(5x2)-Au reconstruction using first-principles electronic structure calculations based on the density functional theory. We analyze the structural models proposed by Marks and Plass [Phys. Rev. Lett.75, 2172 (1995)], those proposed recently by Erwin [Phys. Rev. Lett.91, 206101 (2003)], and a completely new structure that was found during our structural optimizations. We study in detail the energetics and the structural and electronic properties of the different models. For the two most stable models, we also calculate the change in the surface energy as a function of the content of silicon adatoms for a realistic range of concentrations. Our new model is the energetically most favorable in the range of low adatom concentrations, while Erwin's "5x2" model becomes favorable for larger adatom concentrations. The crossing between the surface energies of both structures is found close to 1/2 adatoms per 5x2 unit cell, i.e. near the maximum adatom coverage observed in the experiments. Both models, the new structure and Erwin's "5x2" model, seem to provide a good description of many of the available experimental data, particularly of the angle-resolved photoemission measurements

Analyses of murine GBP homology clusters based on in silico, in vitro and in vivo studies

The interactions between pathogens and hosts lead to a massive upregulation of antimicrobial host effector molecules. Among these, the 65 kDa guanylate binding proteins (GBPs) are interesting candidates as intricate components of the host effector molecule repertoire. Members of the GBP family are highly conserved in vertebrates. Previous reports indicate an antiviral activity of human GBP1 (hGBP1) and murine GBP2 (mGBP2). We recently demonstrated that distinct murine GBP (mGBP) family members are highly upregulated upon Toxoplasma gondii infection and localize around the intracellular protozoa T. gondii. Moreover, we characterised five new mGBP family members within the murine 65 kDa GBP family. Here, we identified a new mGBP locus named mGbp11. Based on bacterial artificial chromosome (BAC), expressed sequence tag (EST), and RT-PCR analyses this study provides a detailed insight into the genomic localization and organization of the mGBPs. These analyses revealed a 166-kb spanning region on chromosome 3 harboring five transcribed mGBPs (mGbp1, mGbp2, mGbp3, mGbp5, and mGbp7) and one pseudogene (pseudomGbp1), as well as a 332-kb spanning region on chromosome 5 consisting of six transcribed mGBPs (mGbp4, mGbp6, mGbp8, mGbp9, mGbp10, and mGbp11), and one pseudogene (pseudomgbp2). Besides the strikingly high homology of 65% to 98% within the coding sequences, the mGBPs on chromosome 5 cluster also exhibit a highly homologous exon-intron structure whereas the mGBP on chromosome 3 reveals a more divergent exon-intron structure. This study details the comprehensive genomic organization of mGBPs and suggests that a continuously changing microbial environment has exerted evolutionary pressure on this gene family leading to multiple gene amplifications. A list of links for this article can be found in the Availability and requirements section

Advanced Radiosity: Complex Scenes and Glossy Reflections

International audienceA lot of research towards global illumination has been focussed on the radiosity method. Nevertheless, it is still a rather academic topic which finds very slowly its way into commercial products. The scope of this tutorial is to describe recent developments in radiosity research that might narrow the gap with commercial applications. The first part of the tutorial course will be given by a pioneer in commercial computer graphics, who will set the stage for the demands of commercial rendering products and assess why radiosity has not been used until now

Energetics of hydrogen impurities in aluminum and their effect on mechanical properties

The effects of hydrogen impurities in the bulk and on the surface of aluminum are theoretically investigated. Within the framework of density functional theory, we have obtained the dependence on H concentration of the stacking fault energy, the cleavage energy, the Al/H surface energy and the Al/H/Al interface formation energy. The results indicate a strong dependence of the slip energy barrier in the $[\bar 211]$ direction the cleavage energy in the [111] direction and the Al/H/Al interface formation energy, on H concentration and on tension. The dependence of the Al/H surface energy on H coverage is less pronounced, while the optimal H coverage is $\leq 0.25$ monolayer. The calculated activation energy for diffusion between high symmetry sites in the bulk and on the surface is practically the same, 0.167 eV. From these results, we draw conclusions about the possible effect of H impurities on mechanical properties, and in particular on their role in embrittlement of Al.Comment: 9 pages, 5 figure

Numerical atomic orbitals for linear scaling

The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as needed for linear-scaling calculations, several schemes have been tried. The best performance is obtained for the basis sets generated according to a new scheme presented here, a flexibilization of previous proposals. The basis sets are tested versus converged plane-wave calculations on a significant variety of systems, including covalent, ionic and metallic. Satisfactory convergence (deviations significantly smaller than the accuracy of the underlying theory) is obtained for reasonably small basis sizes, with a clear improvement over previous schemes. The transferability of the obtained basis sets is tested in several cases and it is found to be satisfactory as well.Comment: 9 pages with 2 encapsulated postscript figures, submitted to Phys. Rev.