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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines

A machine learning-based methodology for the prediction of chemical reaction products, along with automated elucidation of mechanistic details via phase space analysis of reactive trajectories, is introduced using low-dimensional heuristic models and then applied to ab initio computer simulations of the photodissociation of acetaldehyde, an important chemical system in atmospheric chemistry. Our method is centered around training Support Vector Machines (SVMs) to identify optimal separatrices that delineate the regions of phase space that lead to different chemical reaction products. In contrast to the more common “black box” type machine learning methodologies for analyzing chemical simulation data, this SVM-based methodology allows for mechanistic insight to be gleaned from further analysis of the positioning of the phase space points used to train the SVM with respect to the separatrices. For example, a pair of phase space points that are in close proximity to each other but on opposite sides of a separatrix may be situated on opposite sides of a transition state, while phase space points occurring early in a simulation that are distant from a separatrix are likely to belong to trajectories that are highly biased toward the product state associated with the basin of attraction to which they belong. In addition to inferring mechanistic details about multiple-pathway chemical reactions, our method can also be used to increase reactive trajectory sampling efficiency in molecular simulations via rejection sampling, with trajectories leading to undesired product states being identified and terminated early in the simulation rather than being carried to completion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Vector-boson-tagged jet production in heavy ion collisions at energies available at the CERN Large Hadron Collider [Vector boson-tagged jet production in heavy ion collisions at the LHC]

Here, vector-boson-tagged jet production in collisions of heavy nuclei opens new opportunities to study parton shower formation and propagation in strongly interacting matter. It has been argued to provide a golden channel that can constrain the energy loss of jets in the quark-gluon plasma created in heavy ion reactions. We present theoretical results for isolated-photon-tagged and Z 0 -boson-tagged jet production in Pb + Pb collisions with √s NN = 5.02TeV at the LHC. Specifically, we evaluate the transverse momentum imbalance x JV distribution and nuclear modification factor I AA of tagged jets and compare our theoretical calculations to recent experimental measurements by ATLAS and CMS collaborations. Our analysis, which includes both collisional and radiative energy losses, sheds light on their relative importance versus the strength of jet-medium interactions and helps quantify the amount of out-of-cone radiation of predominantly prompt quark-initiated jets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Measurement of VH, H → $b\bar{b}$ production as a function of the vector-boson transverse momentum in 13 TeV pp collisions with the ATLAS detector

Cross-sections of associated production of a Higgs boson decaying into bottomquark pairs and an electroweak gauge boson, W or Z , decaying into leptons are measured as a function of the gauge boson transverse momentum. The measurements are performed in kinematic fiducial volumes defined in the ‘simplified template cross-section’ framework. The results are found using 79.8 fb ₋1 of proton-proton collisions recorded by the ATLAS detector at the Large Hadron Collider at a centre-of-mass energy of 13 TeV. All measurements are found to be in agreement with the Standard Model predictions, and limits are set on the parameters of an effective Lagrangian sensitive to modifications of the Higgs boson couplings to the electroweak gauge bosons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Search for the Higgs boson produced in association with a vector boson and decaying into two spin-zero particles in the H → aa → 4b channel in pp collisions at $ \sqrt{s}=13 $ TeV with the ATLAS detector

A search for exotic decays of the Higgs boson into a pair of spin-zero particles, H → aa, where the a-boson decay sin to b-quarks promptly or with a mean proper lifetime cτa up to 6 mm and has a mass in the range of 20–60 GeV, is presented. The search is performed in events where the Higgs boson is produced in association with a W or Z boson, giving rise to a signature of one or two charged leptons (electrons or muons) and multiple jets from b-quark decays. The analysis is based on the dataset of proton-proton collisions at $ \sqrt{s}=13 $ TeV recorded in 2015 and 2016 by the ATLAS detector at the CERN Large Hadron Collider, corresponding to an integrated luminosity of 36.1 fb-1. No significant excess of events above the Standard Model background prediction is observed, and 95% confidence-level upper limits are derived for the production cross-sections for pp → WH, ZH and their combination, times the branching ratio of the decay chain H → aa → 4b. For a-bosons which decay promptly, the upper limit on the combination of cross-sections for WH and ZH times the branching ratio of H → aa → 4b ranges from 3.0 pb for ma = 20 GeV to 1.3 pb for ma = 60 GeV, assuming that the ratio of WH to ZH cross-sections follows the Standard Model prediction. For a-bosons with longer proper lifetimes, the most stringent limits are 1.8 pb and 0.68 pb, respectively, at cτa ~ 0.4 mm.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Search for vector-boson resonances decaying to a top quark and bottom quark in the lepton plus jets final state in pp collisions at s = 13 TeV with the ATLAS detector

A search for new charged massive gauge bosons, is performed with the ATLAS detector at the LHC. Data were collected in proton–proton collisions at a center-of-mass energy of $\sqrt{s} = 13$ TeV and correspond to an integrated luminosity of . This analysis searches for W' bosons in the W' → t$\bar{b}$ ecay channel in final states with an electron or muon plus jets. The search covers resonance masses between 0.5 and 5.0 TeV and considers right-handed W' bosons. No significant deviation from the Standard Model (SM) expectation is observed and upper limits are set on the W' → t$\bar{b}$ cross section times branching ratio and the W' boson effective couplings as a function of the W' boson mass. For right-handed W' bosons with coupling to the SM particles equal to the SM weak coupling constant, masses below 3.15 TeV are excluded at the 95% confidence level. This search is also combined with a previously published ATLAS result for W' → t$\bar{b}$ in the fully hadronic final state. Using the combined searches, right-handed bosons with masses below 3.25 TeV are excluded at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗