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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation

Abstract. Gas-phase oxidation of isoprene by ozone (O3) and the hydroxyl (OH) and nitrate (NO3) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O3 bias is reduced by 3.4 ppb under daytime conditions for O3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

58 GEOSCIENCES↗
DOE OSTI2021

Fission Induced Radiolysis of Uranyl Sulfate Solutions

At Argonne National Laboratory, an experimental pilot facility is being tested for the production of the medical isotope molybdenum-99 ( 99 Mo). AMORE (Argonne Molybdenum Research Experiment) is an experimental pilot facility in which a 40 MeV electron beam from the LINAC strikes a depleted uranium (DU) target. The target generates high energy neutrons, which are thermalized in an 18-liter uranyl sulfate solution of low enriched uranium (LEU). Thermalized neutrons fission the uranium-235 ( 235 U) to produce 99 Mo as well as many other fission products. The 99 Mo is recovered from the uranium solution and purified. The goal of our work is to reduce the use of highly enriched uranium (HEU) for the production of this isotope.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2019

Ice nucleating particles in the marine boundary layer in the Canadian Arctic during summer 2014

Ice nucleating particles (INPs) in the Arctic can influence climateand precipitation in the region; yet our understanding of the concentrations and sourcesof INPs in this region remain uncertain. In the following, we (1) measured concentrationsof INPs in the immersion mode in the Canadian Arctic marine boundary layer duringsummer 2014 on board the CCGS Amundsen , (2) determined ratios of surface areasof mineral dust aerosol to sea spray aerosol, and (3) investigated the source region ofthe INPs using particle dispersion modelling. Average concentrations of INPs at -15 , -20 , and -25 - C were 0.005, 0.044, and 0.154 L -1 ,respectively. These concentrations fall within the range of INP concentrations measuredin other marine environments. For the samples investigated the ratio of mineral dustsurface area to sea spray surface area ranged from 0.03 to 0.09. Based on these ratiosand the ice active surface site densities of mineral dust and sea spray aerosoldetermined in previous laboratory studies, our results suggest that mineral dust is amore important contributor to the INP population than sea spray aerosol for the samplesanalysed. Based on particle dispersion modelling, the highest concentrations of INPs wereoften associated with lower-latitude source regions such as the Hudson Bay area, easternGreenland, or north-western continental Canada. On the other hand, the lowestconcentrations were often associated with regions further north of the sampling sites andover Baffin Bay. A weak correlation was observed between INP concentrations and the timethe air mass spent over bare land, and a weak negative correlation was observed betweenINP concentrations and the time the air mass spent over ice and open water. Thesecombined results suggest that mineral dust from local sources is an important contributorto the INP population in the Canadian Arctic marine boundary layer during summer 2014.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Outer membrane vesicles catabolize lignin-derived aromatic compounds in Pseudomonas putida KT2440

Lignin is an abundant and recalcitrant component of plant cell walls. While lignin degradation in nature is typically attributed to fungi, growing evidence suggests that bacteria also catabolize this complex biopolymer. However, the spatiotemporal mechanisms for lignin catabolism remain unclear. Improved understanding of this biological process would aid in our collective knowledge of both carbon cycling and microbial strategies to valorize lignin to value-added compounds. Here, we examine lignin modifications and the exoproteome of three aromatic–catabolic bacteria: Pseudomonas putida KT2440, Rhodoccocus jostii RHA1, and Amycolatopsis sp. ATCC 39116. P. putida cultivation in lignin-rich media is characterized by an abundant exoproteome that is dynamically and selectively packaged into outer membrane vesicles (OMVs). Interestingly, many enzymes known to exhibit activity toward lignin-derived aromatic compounds are enriched in OMVs from early to late stationary phase, corresponding to the shift from bioavailable carbon to oligomeric lignin as a carbon source. In vivo and in vitro experiments demonstrate that enzymes contained in the OMVs are active and catabolize aromatic compounds. Taken together, this work supports OMV-mediated catabolism of lignin-derived aromatic compounds as an extracellular strategy for nutrient acquisition by soil bacteria and suggests that OMVs could pote

biological funneling↗
DOE OSTI2019

Measurements of gluon–gluon fusion and vector-boson fusion Higgs boson production cross-sections in the H → WW ∗ → eνμν decay channel in pp collisions at s = 13 TeV with the ATLAS detector

Higgs boson production cross-sections in proton–proton collisions are measured in the H → WW ∗ → eνμν decay channel. The proton–proton collision data were produced at the Large Hadron Collider at a centre-of-mass energy of 13 TeV and recorded by the ATLAS detector in 2015 and 2016, corresponding to an integrated luminosity of 36.1fb -1 . The product of the H→WW ∗ branching fraction times the gluon–gluon fusion and vector-boson fusion cross-sections are measured to be 11.4$_{-1.1}^{+1.2}$(stat.)$_{-1.7}^{+1.8}$(syst.) pb and 0.50$_{-0.22}^{+0.24}$(stat.)±0.17(syst.) pb, respectively, in agreement with Standard Model predictions.

Aaboud, M.↗
DOE OSTI2019

Search for heavy Majorana or Dirac neutrinos and right-handed W gauge bosons in final states with two charged leptons and two jets at $\sqrt{s}=13 $ TeV with the ATLAS detector

A search for heavy right-handed Majorana or Dirac neutrinos NR and heavy right-handed gauge bosons WR is performed in events with a pair of energetic electrons or muons, with the same or opposite electric charge, and two energetic jets. The events are selected from pp collision data with an integrated luminosity of 36.1 fb -1 collected by the ATLAS detector at s√=13 TeV. No significant deviations from the Standard Model are observed. The results are interpreted within the theoretical framework of a left-right symmetric model and lower limits are set on masses in the heavy right-handed W boson and neutrino mass plane. The excluded region extends to m$_{R_R}$=4.7 TeV for both Majorana and Dirac N R neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Search for Higgs boson pair production in the γγ$b\overline{b} $ final state with 13 TeV pp collision data collected by the ATLAS experiment

A search is performed for resonant and non-resonant Higgs boson pair production in the γγ$b\overline{b} $ final state. The data set used corresponds to an integrated luminosity of 36.1 fb -1 of proton-proton collisions at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. No significant excess relative to the Standard Model expectation is observed. The observed limit on the non-resonant Higgs boson pair cross-section is 0.73 pb at 95% confidence level. This observed limit is equivalent to 22 times the predicted Standard Model cross-section. The Higgs boson self-coupling (κ λ = λ HHH /λ HHH SM ) is constrained at 95% confidence level to -8.2 < κ λ < 13.2. For resonant Higgs boson pair production through X→HH→γγ$b\overline{b} $, the limit is presented, using the narrow-width approximation, as a function of mX in the range 260 GeV < m X < 1000 GeV. The observed limits range from 1.1 pb to 0.12 pb over this mass range. Open image in new window

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Search for charged Higgs bosons decaying into top and bottom quarks at $ \sqrt{s}=13$ TeV with the ATLAS detector

A search for charged Higgs bosons heavier than the top quark and decaying via H ± → tb is presented. The data analysed corresponds to 36.1 fb -1 of pp collisions at √s=13 TeV and was recorded with the ATLAS detector at the LHC in 2015 and 2016. The production of a charged Higgs boson in association with a top quark and a bottom quark, pp → tbH ± , is explored in the mass range from m H ± = 200 to 2000 GeV using multi-jet final states with one or two electrons or muons. Events are categorised according to the multiplicity of jets and how likely these are to have originated from hadronisation of a bottom quark. Multivariate techniques are used to discriminate between signal and background events. No significant excess above the background-only hypothesis is observed and exclusion limits are derived for the production cross-section times branching ratio of a charged Higgs boson as a function of its mass, which range from 2.9 pb at m H ± = 200 GeV to 0.070 pb at m H ± = 2000 GeV. The results are interpreted in two benchmark scenarios of the Minimal Supersymmetric Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Search for new phenomena in events with same-charge leptons and b-jets in pp collisions at $ \sqrt{s}=13 $ TeV with the ATLAS detector

A search for new phenomena in events with two same-charge leptons or three leptons and jets identified as originating from b-quarks in a data sample of 36.1 fb -1 of pp collisions at √s=13 TeV recorded by the ATLAS detector at the Large Hadron Collider is reported. No significant excess is found and limits are set on vector-like quark, four-top-quark, and same-sign top-quark pair production. The observed (expected) 95% CL mass limits for a vector-like T- and B-quark singlet are m T > 0.98 (0.99) TeV and m B > 1.00 (1.01) TeV respectively. Limits on the production of the vector-like T 5/3 -quark are also derived considering both pair and single production; in the former case the lower limit on the mass of the T 5/3 -quark is (expected to be) 1.19 (1.21) TeV. The Standard Model four-top-quark production cross-section upper limit is (expected to be) 69 (29) fb. Constraints are also set on exotic four-top-quark production models. Finally, limits are set on same-sign top-quark pair production. The upper limit on uu → tt production is (expected to be) 89 (59) fb for a mediator mass of 1 TeV, and a dark-matter interpretation is also derived, excluding a mediator of 3 TeV with a dark-sector coupling of 1.0 and a coupling to ordinary matter above 0.31.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗