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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RuN2 by Materials Project

RuN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent N3- atoms to form RuN6 octahedra that share corners with eight equivalent RuN6 octahedra, corners with six equivalent NRu3N tetrahedra, and edges with two equivalent RuN6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.08 Å) and four longer (2.12 Å) Ru–N bond lengths. N3- is bonded to three equivalent Ru6+ and one N3- atom to form distorted NRu3N tetrahedra that share corners with three equivalent RuN6 octahedra, corners with thirteen equivalent NRu3N tetrahedra, and an edgeedge with one NRu3N tetrahedra. The corner-sharing octahedra tilt angles range from 62–66°. The N–N bond length is 1.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RuN2 by Materials Project

RuN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ru6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ru–N bond lengths are 2.25 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Ru6+ and one N3- atom. The N–N bond length is 1.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An investigation of irreproducibility in maximum likelihood phylogenetic inference

Phylogenetic trees are essential for studying biology, but their reproducibility under identical parameter settings remains unexplored. Here, we find that 3515 (18.11%) IQ-TREE-inferred and 1813 (9.34%) RAxML-NG-inferred maximum likelihood (ML) gene trees are topologically irreproducible when executing two replicates (Run1 and Run2) for each of 19,414 gene alignments in 15 animal, plant, and fungal phylogenomic datasets. Notably, coalescent-based ASTRAL species phylogenies inferred from Run1 and Run2 sets of individual gene trees are topologically irreproducible for 9/15 phylogenomic datasets, whereas concatenation-based phylogenies inferred twice from the same supermatrix are reproducible. Our simulations further show that irreproducible phylogenies are more likely to be incorrect than reproducible phylogenies. These results suggest that a considerable fraction of single-gene ML trees may be irreproducible. Increasing reproducibility in ML inference will benefit from providing analyses’ log files, which contain typically reported parameters (e.g., program, substitution model, number of tree searches) but also typically unreported ones (e.g., random starting seed number, number of threads, processor type).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Leptonic cascade decays of a heavy Higgs boson through vectorlike leptons at the LHC

We demonstrate the potential of fully leptonic cascade decays of a heavy neutral Higgs boson through vectorlike leptons as a simultaneous probe for extended Higgs sectors and extra matter particles at the LHC. The processes we explore are unique in that their event topologies lead to di-boson-like leptonic final states with a lepton pair which does not reconstruct the mass of a gauge boson. By recasting existing $2\ell$ + $E^{\text{miss}}_{R}$ and $3/4\ell$ searches channels using run2 data from the LHC we obtain model independent bounds on the masses of heavy scalars and vectorlike leptons and use these results to explore future prospects at the HL-LHC. Our results can be directly applied to any kind of new physics scenarios sharing the final states and the event topology. For concreteness, we apply our results to a benchmark scenario: a two Higgs doublet model type-II augmented with vectorlike leptons. Remarkably, even with current data the sensitivity of our analysis shows a reach for masses of a heavy neutral Higgs and vectorlike leptons up to 2 TeV and 1.5 TeV, respectively. Even for low tan β ≳ 1, the analysis retains sensitivity to heavy Higgs masses slightly above 1 TeV. The future sensitivities at the HL-LHC extend the reach for heavy Higgses and new leptons to 2.7 TeV and 2 TeV, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗