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All sources NASA NTRS DOE OSTI

DOE OSTI2016

Search for supersymmetry in pp collisions at $ \sqrt{s}=13 $ TeV in the single-lepton final state using the sum of masses of large-radius jets

Results are reported from a search for supersymmetric particles in proton-proton collisions in the final state with a single, high transverse momentum lepton, multiple jets, including at least one b-tagged jet, and large missing transverse momentum. The data sample corresponds to an integrated luminosity of 2.3 fb$^{−1}$ at $ \sqrt{s}=13 $ TeV, recorded by the CMS experiment at the LHC. The search focuses on processes leading to high jet multiplicities, such as gluino pair production with $ \tilde{\mathrm{g}}\to \mathrm{t}\overline{\mathrm{t}}{\tilde{\chi}}_1^0 $ . The quantity M$_{J}$ , defined as the sum of the masses of the large-radius jets in the event, is used in conjunction with other kinematic variables to provide discrimination between signal and background and as a key part of the background estimation method. The observed event yields in the signal regions in data are consistent with those expected for standard model backgrounds, estimated from control regions in data. Exclusion limits are obtained for a simplified model corresponding to gluino pair production with three-body decays into top quarks and neutralinos. Gluinos with a mass below 1600 GeV are excluded at a 95% confidence level for scenarios with low $ {\tilde{\chi}}_1^0 $ mass, and neutralinos with a mass below 800 GeV are excluded for a gluino mass of about 1300 GeV. For models with two-body gluino decays producing on-shell top squarks, the excluded region is only weakly sensitive to the top squark mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Search for new particles in events with a hadronically decaying W or Z boson and large missing transverse momentum at $\sqrt{s}$ = 13 TeV using the ATLAS detector

A search is presented for new particles produced in proton-proton collisions at a centre-of-mass energy of 13 TeV that result in final states comprising a massive vector ( W or Z ) boson that decays hadronically and large missing transverse momentum. The data sample was collected with the ATLAS experiment at the Large Hadron Collider from 2015 to 2018 and corresponds to an integrated luminosity of 140 fb - 1 . No significant excess over the Standard Model expectation is observed. Model-independent 95% confidence-level limits on the visible cross-section that range from 0.3 fb to 79.5 fb are obtained for non-Standard-Model processes. Exclusion limits are also presented for models with axion-like particles, for two-Higgs-doublet models with a pseudo-scalar mediator between the Standard Model and the dark sector, for the invisible decay of the Higgs boson and for pair-produced weakly interacting dark matter candidates.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Search for new phenomena in final states with two opposite-charge, same-flavor leptons, jets, and missing transverse momentum in pp collisions at $ \sqrt{s}=13 $ TeV

Search results are presented for physics beyond the standard model in final states with two opposite-charge, same-flavor leptons, jets, and missing transverse momentum. The data sample corresponds to an integrated luminosity of 35.9 fb$^{−1}$ of proton-proton collisions at $ \sqrt{s}=13 $ TeV collected with the CMS detector at the LHC in 2016. The analysis uses the invariant mass of the lepton pair, searching for a kinematic edge or a resonant-like excess compatible with the Z boson mass. The search for a kinematic edge targets production of particles sensitive to the strong force, while the resonance search targets both strongly and electroweakly produced new physics. The observed yields are consistent with the expectations from the standard model, and the results are interpreted in the context of simplified models of supersymmetry. In a gauge mediated supersymmetry breaking (GMSB) model of gluino pair production with decay chains including Z bosons, gluino masses up to 1500–1770 GeV are excluded at the 95% confidence level depending on the lightest neutralino mass. In a model of electroweak chargino-neutralino production, chargino masses as high as 610 GeV are excluded when the lightest neutralino is massless. In GMSB models of electroweak neutralino-neutralino production, neutralino masses up to 500-650 GeV are excluded depending on the decay mode assumed. Finally, in a model with bottom squark pair production and decay chains resulting in a kinematic edge in the dilepton invariant mass distribution, bottom squark masses up to 980–1200 GeV are excluded depending on the mass of the next-to-lightest neutralino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Association of Cl with C 2 H 2 by unified variable-reaction-coordinate and reaction-path variational transition-state theory

Significance A key issue in chemical kinetics is advancing the theoretical framework to handle reactions beyond the domain of textbook transition-state theory by including––for example––anharmonicity, barrierless transition states, transition states in series, and the effect of conformational flexibility on equilibrium constants. Other key issues are validating affordable electronic structure methods for direct dynamics and the direct calculation of high-pressure limiting rate constants, which are often obtainable experimentally only by extrapolation. The present article addresses all these issues for a prototype radical–molecule association reaction and thereby demonstrates how to combine improved theoretical methods to provide rate constants in cases where experimental data are uncertain or missing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

What Is in Umbilicaria pustulata? A Metagenomic Approach to Reconstruct the Holo-Genome of a Lichen

Lichens are valuable models in symbiosis research and promising sources of biosynthetic genes for biotechnological applications. Most lichenized fungi grow slowly, resist aposymbiotic cultivation, and are poor candidates for experimentation. Obtaining contiguous, high-quality genomes for such symbiotic communities is technically challenging. Here, we present the first assembly of a lichen holo-genome from metagenomic whole-genome shotgun data comprising both PacBio long reads and Illumina short reads. The nuclear genomes of the two primary components of the lichen symbiosis—the fungus Umbilicaria pustulata (33 Mb) and the green alga Trebouxia sp. (53 Mb)—were assembled at contiguities comparable to single-species assemblies. The analysis of the read coverage pattern revealed a relative abundance of fungal to algal nuclei of ~20:1. Gap-free, circular sequences for all organellar genomes were obtained. The bacterial community is dominated by Acidobacteriaceae and encompasses strains closely related to bacteria isolated from other lichens. Gene set analyses showed no evidence of horizontal gene transfer from algae or bacteria into the fungal genome. Our data suggest a lineage-specific loss of a putative gibberellin-20-oxidase in the fungus, a gene fusion in the fungal mitochondrion, and a relocation of an algal chloroplast gene to the algal nucleus. Major technical obstacles during reconstruction of the holo-genome were coverage differences among individual genomes surpassing three orders of magnitude. Moreover, we show that GC-rich inverted repeats paired with nonrandom sequencing error in PacBio data can result in missing gene predictions. This likely poses a general problem for genome assemblies based on long reads.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Search for type-III seesaw heavy leptons in p p collisions at s = 8 TeV with the ATLAS detector

A search for the pair production of heavy leptons (N⁰,L ± ) predicted by the type-III seesaw theory formulated to explain the origin of small neutrino masses is presented. The decay channels N⁰→W ± l ∓ (ℓ=e,μ,τ) and L ± →W ± ν (ν=ν e ,ν μ ,ν τ ) are considered. The analysis is performed using the final state that contains two leptons (electrons or muons), two jets from a hadronically decaying W boson and large missing transverse momentum. The data used in the measurement correspond to an integrated luminosity of 20.3 fb⁻¹ of pp collisions at s√=8 TeV collected by the ATLAS detector at the LHC. No evidence of heavy lepton pair production is observed. Heavy leptons with masses below 325–540 GeV are excluded at the 95% confidence level, depending on the theoretical scenario considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Atomic structures determined from digitally defined nanocrystalline regions

Nanocrystallography has transformed our ability to interrogate the atomic structures of proteins, peptides, organic molecules and materials. By probing atomic level details in ordered sub-10 nm regions of nanocrystals, scanning nanobeam electron diffraction extends the reach of nanocrystallography and in principle obviates the need for diffraction from large portions of one or more crystals. Scanning nanobeam electron diffraction is now applied to determine atomic structures from digitally defined regions of beam-sensitive peptide nanocrystals. Using a direct electron detector, thousands of sparse diffraction patterns over multiple orientations of a given crystal are recorded. Each pattern is assigned to a specific location on a single nanocrystal with axial, lateral and angular coordinates. This approach yields a collection of patterns that represent a tilt series across an angular wedge of reciprocal space: a scanning nanobeam diffraction tomogram. Using this diffraction tomogram, intensities can be digitally extracted from any desired region of a scan in real or diffraction space, exclusive of all other scanned points. Intensities from multiple regions of a crystal or from multiple crystals can be merged to increase data completeness and mitigate missing wedges. It is demonstrated that merged intensities from digitally defined regions of two crystals of a segment from the OsPYL/RCAR5 protein produce fragment-based ab initio solutions that can be refined to atomic resolution, analogous to structures determined by selected-area electron diffraction. In allowing atomic structures to now be determined from digitally outlined regions of a nanocrystal, scanning nanobeam diffraction tomography breaks new ground in nanocrystallography.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Leveraging AMI data for distribution system model calibration and situational awareness

The many new distributed energy resources being installed at the distribution system level require increased visibility into system operations that will be enabled by distribution system state estimation (DSSE) and situational awareness applications. Reliable and accurate DSSE requires both robust methods for managing the big data provided by smart meters and quality distribution system models. This paper presents intelligent methods for detecting and dealing with missing or inaccurate smart meter data, as well as the ways to process the data for different applications. It also presents an efficient and flexible parameter estimation method based on the voltage drop equation and regression analysis to enhance distribution system model accuracy. Finally, it presents a 3-D graphical user interface for advanced visualization of the system state and events. Moreover, we demonstrate this paper for a university distribution network with the state-of-the-art real-time and historical smart meter data infrastructure.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Search for direct pair production of supersymmetric top quarks decaying to all-hadronic final states in pp collisions at √s = 8 TeV

Here, results are reported from a search for the pair production of top squarks, the supersymmetric partners of top quarks, in final states with jets and missing transverse momentum. The data sample used in this search was collected by the CMS detector and corresponds to an integrated luminosity of 18.9 fb –1 of proton-proton collisions at a centre-of-mass energy of 8 TeV produced by the LHC. The search features novel background suppression and prediction methods, including a dedicated top quark pair reconstruction algorithm. The data are found to be in agreement with the predicted backgrounds. Exclusion limits are set in simplified supersymmetry models with the top squark decaying to jets and an undetected neutralino, either via a top quark or through a bottom quark and chargino. Models with the top squark decaying via a top quark are excluded for top squark masses up to 755 GeV in the case of neutralino masses below 200 GeV. For decays via a chargino, top squark masses up to 620 GeV are excluded, depending on the masses of the chargino and neutralino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Search for light Higgs bosons from supersymmetric cascade decays in $\text {pp}$ collisions at $\sqrt{s}=13\,\textrm{TeV}$

A search is reported for pairs of light Higgs bosons (H 1 ) produced in supersymmetric cascade decays in final states with small missing transverse momentum. A data set of LHC pp collisions collected with the CMS detector at $\sqrt{s}$ = 13 TeV and corresponding to an integrated luminosity of 138 fb -1 is used. The search targets events where both H 1 bosons decay into $\text{b}\bar{\text{b}}$ pairs that are reconstructed as large-radius jets using substructure techniques. No evidence is found for an excess of events beyond the background expectations of the standard model (SM). Results from the search are interpreted in the next-to-minimal supersymmetric extension of the SM, where a “singlino” of small mass leads to squark and gluino cascade decays that can predominantly end in a highly Lorentz-boosted singlet-like H 1 and a singlino-like neutralino of small transverse momentum. Upper limits are set on the product of the squark or gluino pair production cross section and the square of the branching fraction of the $\text{b}\bar{\text{b}}$ in a benchmark model containing almost mass-degenerate gluinos and light-flavour squarks. Under the assumption of an SM-like H 1 → $\text{b}\bar{\text{b}}$ branching fraction, H 1 bosons with masses in the range 40–120 GeV arising from the decays of squarks or gluinos with a mass of 1200–2500 GeV are excluded at 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

DIVA/DeviceEditor (DIVA) v6.0.0

The DIVA software interfaces a process in which researchers design their DNA with a web-based graphical user interface (DeviceEditor), submit their designs to a central queue, and a few weeks later receive their sequence-verified clonal constructs. Each researcher independently designs the DNA to be constructed with a web-based BioCAD tool, and presses a button to submit their designs to a central queue. Researchers have web-based access to their DNA design queues, and can track the progress of their submitted designs as they progress from "evaluation", to "waiting for reagents", to "in progress", to "complete". Researchers access their completed constructs through the central DNA repository. Along the way, all DNA construction success/failure rates are captured in a central database. Once a design has been submitted to the queue, a small number of dedicated staff evaluate the design for feasibility and provide feedback to the responsible researcher if the design is either unreasonable (e.g., encompasses a combinatorial library of a billion constructs) or small design changes could significantly facilitate the downstream implementation process. The dedicated staff then use DNA assembly design automation software to optimize the DNA construction process for the design, leveraging existing parts from the DNA repository where possible and ordering synthetic DNA where necessary. Once all requisite process inputs are available, the design progresses from "waiting for reagents" to "in progress" in the design queue. Human-readable and machine-parseable DNA construction protocols output by the DNA assembly design automation software are then executed by the dedicated staff exploiting lab automation devices wherever possible. Since the all employed DNA construction methods are sequence-agnostic, standardized (utilize the same enzymatic master mixes and reaction conditions), completely independent DNA construction tasks can be aggregated into the same multi-well plates and pursued in parallel. The resulting sets of cloned constructs can then be screened by high-throughput next-gen sequencing platforms for sequence correctness. A combination of long read-length (e.g., PacBio) and paired-end read platforms (e.g., Illumina) would be exploited depending the particular task at hand (e.g., PacBio might be sufficient to screen a set of pooled constructs with significant gene divergence). Post sequence verification, designs for which at least one correct clone was identified will progress to a "complete" status, while designs for which no correct clones were identified will progress to a "failure" status. Depending on the failure mode (e.g., no transformants), and how many prior attempts/variations of assembly protocol have been already made for a given design, subsequent attempts may be made or the design can progress to a "permanent failure" state. All success and failure rate information will be captured during the process, including at which stage a given clonal construction procedure failed (e.g., no PCR product) and what the exact failure was (e.g. assembly piece 2 missing). This success/failure rate data can be leveraged to refine the DNA assembly design process.

Plahar, Hector↗

DOE OSTI2017

Measurement of differential cross sections and W + / W − cross-section ratios for W boson production in association with jets at s = 8 TeV with the ATLAS detector

This paper presents a measurement of the W boson production cross section and the W+/W- cross-section ratio, both in association with jets, in proton-proton collisions at sqrt(s) = 8 TeV with the ATLAS experiment at the Large Hadron Collider. The measurement is performed in final states containing one electron and missing transverse momentum using data corresponding to an integrated luminosity of 20.2 fb^-1. Differential cross sections for events with at least one or two jets are presented for a range of observables, including jet transverse momenta and rapidities, the scalar sum of transverse momenta of the visible particles in the event, and the transverse momentum of the W boson. For a subset of the observables, the differential cross sections of positively and negatively charged W bosons are measured separately. In the cross-section ratio of W+/W- the dominant systematic uncertainties cancel out, improving the measurement precision by up to a factor of nine. The observables and ratios selected for this paper provide valuable input for the up quark, down quark, and gluon parton distribution functions of the proton.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Hydrogen Materials - Advanced Research Consortium (HyMARC) Core National Laboratory Team

The Hydrogen Materials—Advanced Research Consortium (HyMARC) is the core storage material research team of the DOE/EERE Fuel Cell Technologies Office (FCTO) and is comprised of Sandia National Laboratories (Livermore, CA; SNL), Lawrence Livermore National Laboratory (LLNL), and Lawrence Berkeley Laboratory (LBNL). Its objective is to overcome critical scientific barriers limiting the use of solid-state materials for vehicular hydrogen storage, thereby enabling design and discovery of breakthrough storage materials. Over the three-year lifetime of the project, HyMARC "moved the bar" relative to compressed gas storage by identifying the most promising material improvement strategies, obtaining thermodynamic data that was either missing or inaccurate in the literature, and filling major gaps in the toolkit of computational models. The HyMARC team also developed many new capabilities in the areas of material synthesis and characterization that address specific roadblocks to discovery of successful storage materials.

08 HYDROGEN↗

DOE OSTI2026

Finding the missing pieces: filling gaps that impede the translation of omics data into models

High-throughput omics technologies such as DNA sequencing have made the sequencing and computational assembly of microbial genomes recovered from the environment relatively routine. Computational inference of the protein products encoded by these genomes, and the associated biochemical functions, should enable the accurate prediction and modeling of microbial metabolism, organismal interactions, and ecosystem processes. However, a lack of scalable, probabilistic protein annotation tools limits the full potential of modeling for understanding the metabolism and biogeochemical cycles of microbial communities. Our approach to improve inference of protein annotations and metabolic models relied on learning from and emulating expert manual curation, leveraging software engineering and data science best practices to scale up the throughput and accuracy of annotations and metabolic model construction, building software to objectively evaluate different annotation strategies, and more closely linking the protein annotation and metabolic model inference process. Outcomes of this research include several improved or new computational tools, including DRAM (Distilled and Refined Annotation of Metabolism) for annotating microbial genomes with protein function and metabolic traits, CAMPER (Curated Annotations for Microbial Polyphenol Enzymes and Reactions) for annotating key polyphenol metabolisms, EC-Bench for comprehensive and unbiased benchmarking of annotation tools, and several apps available via the DOE Systems Biology Knowledgebase (KBase) for building genome-scale metabolic models. We demonstrate that these tools allow us to scalably annotate and understand thousands of genomes for microbial communities from a variety of systems and test cases, including rivers, thawing permafrost, and gut microbiomes. All of these computational tools are available as open-source software, with most broadly and easily accessible to the scientific community via KBase apps.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Spatial Mapping of Riverbed Grain-Size Distribution Using Machine Learning

Recent alluvial sediments in riverbeds play a significant role in controlling hydrologic exchange flows (HEFs) in river systems. The alluvial layer is usually associated with strong heterogeneity in physical properties (e.g., permeability and hydraulic conductivity), which affects local HEFs and therefore biogeochemical processes. The spatial distribution of these physical properties needs to be determined to inform the numerical models used to reveal the realistic hydro-biogeochemical behaviors. Such information can be obtained based on the intrinsic link between sediment grain-size distribution and hydraulic properties where sediment texture information is available. However, grain-size measurements are usually spatially sparse and do not have adequate coverage and resolution, particularly for a relatively large domain such as the Hanford Reach of the Columbia River. In this paper, we adopted machine learning (ML) approaches for categorizing and mapping the spatial distributions of riverbed substrate grain size and filling in missing areas of substrate data using the ML models along the reach. Such ML models for substrate size mapping were trained at 13,372 locations using measured substrate sizes along with observed and simulated attributes, including bathymetric attributes (e.g., elevation, slope, and aspect ratio) from LIDAR and bathymetric surveys, and hydrodynamic properties (e.g., water depth, velocity, shear stress, and their statistical moments). An ensemble bagging-based ML technique, Random Forest, was adopted to identify the most influential factors as predictors to develop the predictive models with over-fitting issues addressed. The models were evaluated with respect to each individual substrate size class and the lumped group, and then used to generate the final substrate size maps covering all the grid cells in the numerical modeling domain.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1976

LACIE performance predictor final operational capability program description, volume 1

The program EPHEMS computes the orbital parameters for up to two vehicles orbiting the earth for up to 549 days. The data represents a continuous swath about the earth, producing tables which can be used to determine when and if certain land segments will be covered. The program GRID processes NASA's climatology tape to obtain the weather indices along with associated latitudes and longitudes. The program LUMP takes substrata historical data and sample segment ID, crop window, crop window error and statistical data, checks for valid input parameters and generates the segment ID file, crop window file and the substrata historical file. Finally, the System Error Executive (SEE) Program checks YES error and truth data, CAMS error data, and signature extension data for validity and missing elements. A message is printed for each error found.

Source record↗

NASA NTRS1991

Back Azimuth Guidance In Departures And Missed Approaches

Report describes studies conducted with pilots in flight simulator to examine use of front azimuth and back azimuth functions of microwave landing system (MLS) during precise departures immediately after takeoffs and during missed approaches. Studies provided data to determine optimum back azimuth signal sensitivity to establish operationally acceptable limits and procedures for use of back azimuth guidance, and to determine optimum technique for switching from front azimuth to back azimuth guidance.

Scott, Barry C.↗

NASA NTRS2000

Mars Scout: Micromissions to Investigate Martian Environments

Environments can be local, regional, or global. They can include one or more geological, morphological, climatological, and biological types. An environment also represents all the interactions that take place in the identified boundaries. Current planned missions to Mars in the Surveyor Program assume a good knowledge of the Martian environment that we do not have because it cannot be obtained only from orbit. There is a missing step between orbital data and the complex Surveyor missions to be landed that needs to be filled. The Ames/IRSPS Scout Mission Concept originally proposed in February 1999 filled this gap by landing a series of small (less than 10 kgs. each) scout missions. The Mars Environment Scout Mission Concept is being developed to explore the possibility of sending a series of small, simple, and inexpensive stations to the surface of Mars. The objective(s) would be to document either: (a) the environmental diversity of Mars, (b) a specific Martian environment, and/or (c) a region of interest. This type of mission will provide critical information about environments that is currently not available, and could also be used as precursors helping the design, preparation, and planning of more complex future missions to come.

Cabrol, N. A.↗