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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

New Insights into Low-Temperature Oxidation of Propane from Synchrotron Photoionization Mass Spectrometry and Multiscale Informatics Modeling

We investigated the low-temperature oxidation of propane at 4 Torr and temperatures of 530, 600, and 670 K. The oxidation is initiated by pulsed laser photolysis of oxalyl chloride, (COCl)2, at 248 nm, which rapidly generates a ~1:1 mixture of 1-propyl (n-propyl) and 2-propyl (i-propyl) radicals via the fast Cl + propane reaction. Reactants, intermediates and products are probed with isomeric selectivity by time-resolved multiplexed photoionization mass spectrometry (MPIMS) with tunable synchrotron vacuum UV radiation as the ionization source. At all three temperatures, the major stable product species is propene, formed in the C3H7 + O2 reactions by direct HO2-elimination from both n- and i-propyl peroxy radicals. The experimentally derived propene yields relative to the initial concentration of Cl atoms are (20 ± 4)% at 530 K, (55 ± 11)% at 600 K, and (86 ± 17)% at 670 K at a reaction time of 20 ms. The lower yield of propene at low temperature reflects substantial formation of propyl peroxy radicals, which do not completely decompose on the experimental time scale. In addition, we detect the C3H6O isomers methyloxirane, oxetane, acetone and propanal as minor products. Our measured yields of oxetane and methyloxirane, which are co-products of OH radicals, suggest a revision of the OH formation pathways in models of low-temperature propane oxidation. The experimental results are modeled and interpreted using a multi-scale informatics approach that is presented in detail in a separate publication (Burke, M. P.; Goldsmith, C. F.; Klippenstein, S. J.; Welz, O.; Huang H.; Antonov I. O.; Savee J. D.; Osborn D. L.; Zádor, J.; Taatjes, C. A.; Sheps, L., Multi-Scale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Rections, submitted, 2015). The model predicts the time profiles and yields of the experimentally observed primary products well, and shows satisfactory agreement for products formed mostly via secondary radical-radical reactions.

Combustion↗
DOE OSTI2018

New Mass‐Conserving Bedrock Topography for Pine Island Glacier Impacts Simulated Decadal Rates of Mass Loss

Abstract High‐resolution ice flow modeling requires bedrock elevation and ice thickness data, consistent with one another and with modeled physics. Previous studies have shown that gridded ice thickness products that rely on standard interpolation techniques (such as Bedmap2) can be inconsistent with the conservation of mass, given observed velocity, surface elevation change, and surface mass balance, for example, near the grounding line of Pine Island Glacier, West Antarctica. Using the BISICLES ice flow model, we compare results of simulations using both Bedmap2 bedrock and thickness data, and a new interpolation method that respects mass conservation. We find that simulations using the new geometry result in higher sea level contribution than Bedmap2 and reveal decadal‐scale trends in the ice stream dynamics. We test the impact of several sliding laws and find that it is at least as important to accurately represent the bedrock and initial ice thickness as the choice of sliding law.

Nias, I. J.↗
DOE OSTI2017

Mass and energy transfer across the Earth's magnetopause caused by vortex-induced reconnection: Mass and energy transfer by K-H vortex

When the interplanetary magnetic field (IMF) is strongly northward, a boundary layer that contains a considerable amount of plasma of magnetosheath origin is often observed along and earthward of the low-latitude magnetopause. Such a pre-existing boundary layer, with a higher density than observed in the adjacent magnetosphere, reduces the local Alfvén speed and allows the Kelvin-Helmholtz instability (KHI) to grow more strongly. We employ a three-dimensional fully kinetic simulation to model an event observed by the Magnetospheric Multiscale (MMS) mission in which the spacecraft detected substantial KH waves between a pre-existing boundary layer and the magnetosheath during strong northward IMF. Initial results of this simulation [Nakamura et al., 2017] have successfully demonstrated ion-scale signatures of magnetic reconnection induced by the non-linearly developed KH vortex, which are quantitatively consistent with MMS observations. Furthermore, we quantify the simulated mass and energy transfer processes driven by this vortex-induced reconnection (VIR) and show that during this particular MMS event (i) mass enters a new mixing layer formed by the VIR more efficiently from the pre-existing boundary layer side than from the magnetosheath side, (ii) mixed plasmas within the new mixing layer convect tailward along the magnetopause at more than half the magnetosheath flow speed, and (iii) energy dissipation in localized VIR dissipation regions results in a strong parallel electron heating within the mixing layer. Finally, the quantitative agreements between the simulation and MMS observations allow new predictions that elucidate how the mass and energy transfer processes occur near the magnetopause during strong northward IMF.

58 GEOSCIENCES↗
DOE OSTI2023

Comparison of δ 13 C analyses of individual foraminifer ( Orbulina universa ) shells by secondary ion mass spectrometry and gas source mass spectrometry

Rationale: The use of secondary ion mass spectrometry (SIMS) to perform micrometer-scale in situ carbon isotope (δ 13 C) analyses of shells of marine microfossils called planktic foraminifers holds promise to explore calcification and ecological processes. The potential of this technique, however, cannot be realized without comparison to traditional whole-shell δ 13 C values measured by gas source mass spectrometry (GSMS). Methods: Paired SIMS and GSMS δ 13 C values measured from final chamber fragments of the same shell of the planktic foraminifer Orbulina universa are compared. The SIMS–GSMS δ 13 C differences (Δ 13 C SIMS-GSMS ) were determined via paired analysis of hydrogen peroxide-cleaned fragments of modern cultured specimens and of fossil specimens from deep-sea sediments that were either untreated, sonicated, and cleaned with hydrogen peroxide or vacuum roasted. After treatment, fragments were analyzed by a CAMECA IMS 1280 SIMS instrument and either a ThermoScientific MAT-253 or a Fisons Optima isotope ratio mass spectrometer (GSMS). Results: Paired analyses of cleaned fragments of cultured specimens (n = 7) yield no SIMS–GSMS δ 13 C difference. However, paired analyses of untreated (n = 18) and cleaned (n = 12) fragments of fossil shells yield average Δ 13 C SIMS-GSMS values of 0.8‰ and 0.6‰ (±0.2‰, 2 SE), respectively, while vacuum roasting of fossil shell fragments (n = 11) removes the SIMS–GSMS δ 13 C difference. Conclusions: The noted Δ 13 C SIMS-GSMS values are most likely due to matrix effects causing sample–standard mismatch for SIMS analyses but may also be a combination of other factors such as SIMS measurement of chemically bound water. The volume of material analyzed via SIMS is ~10 5 times smaller than that analyzed by GSMS; hence, the extent to which these Δ 13 C SIMS-GSMS values represent differences in analyte or instrument factors remains unclear.

58 GEOSCIENCES↗
DOE OSTI2024

Installation protocol for charge transfer dissociation mass spectrometry on ion trapping mass spectrometers

Abstract Rationale Charge transfer dissociation (CTD) is a novel fragmentation technique that demonstrates enhanced structural characterization for a wide variety of molecules compared to standard fragmentation techniques like collision‐induced dissociation (CID). Alternative fragmentation techniques, such as electron transfer dissociation, electron capture dissociation, and ultraviolet photodissociation, also overcome many of the shortfalls of CID, but none of them are a silver bullet that can adequately characterize a wide variety of structures and charge states of target compounds. Given the diversity of structural classes and their occasional obstinance towards certain activation techniques, alternative fragmentation techniques are required that rely on novel or alternative modes of activation. Methods Herein, we present a step‐by‐step protocol for the installation of CTD on a quadrupole ion trap mass spectrometer and best practices for optimizing the signal‐to‐noise ratio and acquisition times for CTD mass spectra. Results In addition to two CTD installations in the Jackson laboratory, CTD has also been installed, and is currently in operation, on two 3D ion trap mass spectrometers in France: one in the laboratory of Dr. David Ropartz and Dr. Hélène Rogneaux at INRAE in Nantes, and the other in the laboratory of Dr. Jean‐Yves Salpin at Université d'Évry Val‐d'Essonne, part of the Paris‐Saclay University system. Conclusions Here, we provide a visual protocol to help others accomplish the instrument modification.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Measurement of the top-quark mass using a leptonic invariant mass in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A measurement of the top-quark mass ($m_t$) in the $t\overline{t}$ → lepton+jets channel is presented, with an experimental technique which exploits semileptonic decays of $b$-hadrons produced in the top-quark decay chain. The distribution of the invariant mass $m_{{\ell}µ}$ of the lepton, $\ell$ (with $\ell$ = $e, µ$), from the $W$-boson decay and the muon, $µ$, originating from the b-hadron decay is reconstructed, and a binned-template profile likelihood fit is performed to extract $m_t$. The measurement is based on data corresponding to an integrated luminosity of 36.1 fb –1 of $\sqrt{s}$ = 13 TeV $pp$ collisions provided by the Large Hadron Collider and recorded by the ATLAS detector. The measured value of the top-quark mass is $m_t$ = 174.41 ± 0.39 (stat.) ± 0.66 (syst.) ± 0.25 (recoil) GeV, where the third uncertainty arises from changing the Pythia8 parton shower gluon-recoil scheme, used in top-quark decays, to a recently developed setup.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

A search for high-mass resonances decaying to τ + τ - in pp collisions at $ \sqrt{s}=8 $ TeV with the ATLAS detector

A search for high-mass resonances decaying into τ⁺τ⁻ final states using proton-proton collisions at √s=8 TeV produced by the Large Hadron Collider is presented. The data were recorded with the ATLAS detector and correspond to an integrated luminosity of 19.5–20.3 fb –1 . No statistically significant excess above the Standard Model expectation is observed; 95% credibility upper limits are set on the cross section times branching fraction of Z' resonances decaying into τ⁺τ⁻ pairs as a function of the resonance mass. As a result, Z' bosons of the Sequential Standard Model with masses less than 2.02 TeV are excluded at 95% credibility. As a result, the impact of the fermionic couplings on the Z' acceptance is investigated and limits are also placed on a Z' model that exhibits enhanced couplings to third-generation fermions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

A mass-conserving lattice Boltzmann method with dynamic grid refinement for immiscible two-phase flows

A mass-conserving lattice Boltzmann method (LBM) for multiphase flows is presented in this paper. The proposed LBM improves a previous model (Lee and Liu, 2010 [21]) in terms of mass conservation, speed-up, and efficiency, and also extends its capabilities for implementation on non-uniform grids. The presented model consists of a phase-field lattice Boltzmann equation (LBE) for tracking the interface between different fluids and a pressure-evolution LBM for recovering the hydrodynamic properties. In addition to the mass conservation property and the simplicity of the algorithm, the advantages of the current phase-field LBE are that it is an order of magnitude faster than the previous interface tracking LBE proposed by Lee and Liu (2010) [21] and it requires less memory resources for data storage. Meanwhile, the pressure-evolution LBM is equipped with a multi-relaxation-time (MRT) collision operator to facilitate attainability of small relaxation rates thereby allowing simulation of multiphase flows at higher Reynolds numbers. Additionally, we reformulate the presented MRT-LBM on nonuniform grids within an adaptive mesh refinement (AMR) framework. Various benchmark studies such as a rising bubble and a falling drop under buoyancy, droplet splashing on a wet surface, and droplet coalescence onto a fluid interface are conducted to examine the accuracy and versatility of the proposed AMR-LBM. The proposed model is further validated by comparing the results with other LB models on uniform grids. A factor of about 20 in savings of computational resources is achieved by using the proposed AMR-LBM. As a more demanding application, the Kelvin–Helmholtz instability (KHI) of a shear-layer flow is investigated for both density-matched and density-stratified binary fluids. The KHI results of the density-matched fluids are shown to be in good agreement with the benchmark AMR results based on the sharp-interface approach. When a density contrast between the two fluids exists, a typical chaotic structure in the flow field is observed at a Reynolds number of 10000, which indicates that the proposed model is a promising tool for direct numerical simulation of two-phase flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Native Mass Spectrometry Analysis of Oligomerization States of Fluorescence Recovery Protein and Orange Carotenoid Protein: Two Proteins Involved in the Cyanobacterial Photoprotection Cycle [Native Mass Spectrometry Analysis of Oligomerization States of FRP and OCP: Two Proteins Involved in the Cyanobacterial Photoprotection Cycle]

Here, the orange carotenoid protein (OCP) and fluorescence recovery protein (FRP) are present in many cyanobacteria, and regulate an essential photoprotection cycle in an antagonistic manner as a function of light intensity. We characterized the oligomerization states of OCP and FRP by using native mass spectrometry, a technique that has the capability of studying native proteins under a wide range of protein concentrations and molecular masses. We found that dimeric FRP (dFRP) is the predominant state at protein concentrations ranging from 3 μM to 180 μM, and that higher order oligomers gradually form at protein concentrations above this range. The OCP, however, demonstrates significantly different oligomerization behavior. Monomeric OCP (mOCP) dominates at low protein concentrations, with an observable population of dimeric OCP (dOCP). The ratio of dOCP to mOCP, however, increases proportionally with the protein concentration. Higher order OCP oligomers form at protein concentrations beyond 10 μM. Additionally, native mass spectrometry coupled with ion mobility allowed us to measure protein collisional cross sections (CCS) and interrogate the unfolding of different FRP and OCP oligomers. We found that monomeric FRP exhibits a one-stage unfolding process, which could be correlated with its C-terminal bent crystal structure. The structural domain compositions of FRP and OCP are compared and discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Energy dependence of $\textit{p}$ + 232 Th fission mass distributions: Mass-asymmetric standard I and standard II modes, and multichance fission

Background: The predominant mass-asymmetric fission of actinide nuclides occurs mainly through the so-called standard I and standard II modes. Though understood to be caused by shape-dependent shell structures encountered between the fission barrier deformation and scission, the most relevant shell gaps are still not firmly established. The standard I mode had been associated with the spherical doubly magic 132 Sn, and thus the $\textit{Z}$ = 50 proton shell, but recently it has been proposed that standard I and standard II are associated with quadrupole and octupole deformed gaps at $\textit{Z}$ = 52 and 56, respectively. Purpose: In this work, we investigate how the relative probabilities of the standard I and standard II modes vary with excitation energy near threshold, probing where the two modes bifurcate. Methods: The Australian National University Heavy Ion Accelerator Facility and CUBE fission spectrometer have been used to measure fission mass distributions for the $\textit{p}$ + 232 Th reaction (forming 233 Pa) at closely spaced bombarding energy intervals from 6.5 to 28 MeV. Results: A model-independent analysis of the energy dependence of the shape of the mass-asymmetric peak shows a strong dependence of the standard I and standard II relative probability on excitation energy near threshold. Conclusions: The results are consistent with the standard II mode having a lower fission barrier than standard I in 233 Pa, with the latter increasing continually in relative probability above its barrier energy. It is concluded that multichance fission, in particular last chance fission, plays a strong role in determining the observed energy dependence of all fission modes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Search for high-mass dilepton resonances in p p collisions at s = 8 TeV with the ATLAS detector

Here, the ATLAS detector at the Large Hadron Collider is used to search for high-mass resonances decaying to dielectron or dimuon final states. Results are presented from an analysis of proton-proton (pp) collisions at a center-of-mass energy of 8 TeV corresponding to an integrated luminosity of 20.3 fb –1 in the dimuon channel. A narrow resonance with Standard Model Z couplings to fermions is excluded at 95% confidence level for masses less than 2.79 TeV in the dielectron channel, 2.53 TeV in the dimuon channel, and 2.90 TeV in the two channels combined. Limits on other model interpretations are also presented, including a grand-unification model based on the E 6 gauge group, Z* bosons, minimal Z' models, a spin-2 graviton excitation from Randall-Sundrum models, quantum black holes, and a minimal walking technicolor model with a composite Higgs boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Precision measurement of the top-quark mass in lepton+jets final states

We measure the mass of the top quark in lepton$+$jets final states using the full sample of $p\bar{p}$ collision data collected by the D0 experiment in Run II of the Fermilab Tevatron Collider at $\sqrt s=1.96 $TeV, corresponding to $9.7 {\rm fb}^{-1}$ of integrated luminosity. We use a matrix element technique that calculates the probabilities for each event to result from $t\bar t$ production or background. The overall jet energy scale is constrained in situ by the mass of the $W$ boson. We measure $m_t=174.98\pm0.76$ GeV. In conclusion, this constitutes the most precise single measurement of the top-quark mass.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Measurement of the Jet Mass Distribution and Top Quark Mass in Hadronic Decays of Boosted Top Quarks in $pp$ Collisions at $\sqrt{s} =$ TeV

A measurement is reported of the jet mass distribution in hadronic decays of boosted top quarks produced in pp collisions at s=13 TeV. The data were collected with the CMS detector at the LHC and correspond to an integrated luminosity of 35.9 fb-1. The measurement is performed in the lepton+jets channel of tt¯ events, where the lepton is an electron or muon. The products of the hadronic top quark decay t→bW→bqq¯′ are reconstructed as a single jet with transverse momentum larger than 400 GeV. The tt¯ cross section as a function of the jet mass is unfolded at the particle level and used to extract a value of the top quark mass of 172.6±2.5 GeV. A novel jet reconstruction technique is used for the first time at the LHC, which improves the precision by a factor of 3 relative to an earlier measurement. This highlights the potential of measurements using boosted top quarks, where the new technique will enable future precision measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Search for new phenomena in different-flavour high-mass dilepton final states in $pp$ collisions at $\sqrt{s}=13$ Tev with the ATLAS detector

A search is performed for a heavy particle decaying into different flavour dilepton pairs (eμ, eτ or μτ), using 3.2 fb -1 of proton–proton collision data at $\sqrt{s}=13$ TeV collected in 2015 by the ATLAS detector at the Large Hadron Collider. No excess over the Standard Model prediction is observed. Limits at the 95 % credibility level are set on the mass of a Z' boson with lepton-flavour-violating couplings at 3.0, 2.7 and 2.6 TeV, and on the mass of a supersymmetric τ sneutrino with R-parity-violating couplings at 2.3, 2.2 and 1.9 TeV, for eμ, eτ and μτ final states, respectively. The results are also interpreted as limits on the threshold mass for quantum black hole production.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗