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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Model's sparse representation based on reduced mixed GMsFE basis methods

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Lanczos algorithm for lattice QCD matrix elements

Recent work [M. L. Wagman, Lanczos, the transfer matrix, and the signal-to-noise problem, .] found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for multiple states from a single correlator, and two-sided error bounds. After filtering out spurious eigenvalues and using outlier-robust estimators within a nested bootstrap framework, Lanczos estimators behave more like multistate fit results than effective masses—but without involving statistical fitting. We extend this formalism to the determination of matrix elements from three-point correlation functions and provide a physical picture of “spurious-state filtering” involving restriction to a Hermitian subspace. We demonstrate similar advantages for matrix elements as for spectroscopy through example applications to noiseless mock-data and (bare) forward matrix elements of the strange scalar current between both ground and excited states with the quantum numbers of the nucleon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Large-time correlation functions in bosonic lattice field theories

Large-time correlation functions have a pivotal role in extracting particle masses from Euclidean lattice field theory calculations, however little is known about the statistical properties of these quantities. In this work, the asymptotic form of the distributions of the correlation functions at vanishing momentum is determined for bosonic interacting lattice field theories with a unique gapped vacuum. It is demonstrated that the deviations from the asymptotic form at large Euclidean times can be utilized to determine the spectrum of the theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Evolution of finite viscous disks with time-independent viscosity

We find Green functions for the accretion disk with fixed outer radius and time-independent viscosity. With the Green functions, a viscous evolution of the disk with any initial conditions can be described. Two types of inner boundary conditions are considered: the zero stress tensor and the zero accretion rate. The variable mass inflow at the outer radius can also be included. The well-known exponential decline of the accretion rate is a part of the solution with the inner zero stress tensor. The solution with the zero central accretion rate is applicable to disks around stars whose magnetosphere's boundary exceeds the corotation radius. Using the solution, the viscous evolution of disks in some binary systems can be studied. We apply the solution with zero inner stress tensor to outbursts of short-period X-ray transients during the time around the peak. It is found that for the Kramers’ regime of opacity and the initial surface density proportional to the radius, the rise time to the peak is t{sub rise}≈0.15 r{sub out}{sup 2}/ν{sub out} and the e-folding time of the decay is t{sub exp}≈0.45 r{sub out}{sup 2}/ν{sub out}. Comparison to non-stationary α-disks shows that both models with the same value of viscosity at the outer radius produce similar behavior on the viscous time-scale. For six bursts in X-ray novae, which exhibit fast-rise–exponential-decay and are fitted by the model, we find a way to restrict the turbulent parameter α.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Effects of graphene surface functionalities towards controlled reinforcement of a lignin based renewable thermoplastic rubber

In this report, we describe methods to enhance mechanical properties of a renewable thermoplastic rubber by incorporating functional graphene platelets into an equal-mass mixture of lignin, a feedstock from plant biomass, and a nitrile-butadiene rubber having 41 mol % acrylonitrile content (NBR41) that form a nanocomposite. Not all lignins yield mechanically strong material when they are combined with NBR41, and thus, limit its use for such rubbery products. Here, we evaluate different graphene oxides (GO) and reduced graphene oxides (rGO) dry-powders with different surface areas, functionality, and wettability in the synthesis of performance-enhanced nanocomposites of soft lignin/NBR41 matrix via a solvent-free, high shear reactive process. High surface area GO (HSGO) platelets with strong hydrophilicity exhibit good dispersion in the multiphase lignin/NBR41 composites with lignin dispersion varying from 200 to 2000 nm, resulting in superior reinforcement over other graphene derivatives. The addition of 1–4 wt % HSGO increased the tensile stress of the lignin/NBR41 thermoplastic rubber matrix by 60–160% (15–24 MPa) and the modulus by 200–700% (60–140 MPa). Scanning electron microscopy and small angle X-ray scattering results show that the well-dispersed HSGO platelets effectively disrupt the lignin-rich aggregates in NBR41 matrix, resulting in both strength and stiffness enhancements in the formed nanocomposites. This report on performance enhancement of lignin-based renewable polymers via the production of nanocomposite would increase potential for ‘finding the value of lignin’—a grand challenge associated with modern biorefineries.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Accretion in Radiative Equipartition (AiRE) Disks

Standard accretion disk theory predicts that the total pressure in disks at typical (sub-)Eddington accretion rates becomes radiation pressure dominated. However, radiation pressure dominated disks are thermally unstable. Since these disks are observed in approximate steady state over the instability timescale, our accretion models in the radiation-pressure-dominated regime (i.e., inner disk) need to be modified. Here, we present a modification to the Shakura and Sunyaev model, where the radiation pressure is in equipartition with the gas pressure in the inner region. We call these flows accretion in radiative equipartition (AiRE) disks. We introduce the basic features of AiRE disks and show how they modify disk properties such as the Toomre parameter and the central temperature. We then show that the accretion rate of AiRE disks is limited from above and below, by Toomre and nodal sonic point instabilities, respectively. The former leads to a strict upper limit on the mass of supermassive black holes as a function of cosmic time (and spin), while the latter could explain the transition between hard and soft states of X-ray binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Search for invisible decays of a Higgs boson using vector-boson fusion in pp collisions at √s = 8 TeV with the ATLAS detector

A search for a Higgs boson produced via vector-boson fusion and decaying into invisible particles is presented, using 20.3 fb -1 of proton-proton collision data at a centre-of-mass energy of 8 TeV recorded by the ATLAS detector at the LHC. For a Higgs boson with a mass of 125 GeV, assuming the Standard Model production cross section, an upper bound of 0.28 is set on the branching fraction of H → invisible at 95% confidence level, where the expected upper limit is 0.31. Furthermore, the results are interpreted in models of Higgs-portal dark matter where the branching fraction limit is converted into upper bounds on the dark-matter-nucleon scattering cross section as a function of the dark-matter particle mass, and compared to results from the direct dark-matter detection experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Formation of Carbon Dioxide Attached Fragment Ions in the Fragmentation of Deprotonated Tolfenpyrad and Tebufenpyrad

The in-source collision-induced dissociation (CID) and MS/MS mass spectra of deprotonated tolfenpyrad and tebufenpyrad both showed an unusual fragment ion at m/z 187, but its fragmentation pattern and structure could not be explained by logical neutral losses. Accurate mass measurement indicated that the mass difference between this fragment ion and the dominant fragment ion at m/z 143 equaled to a carbon dioxide (CO{sub 2}) molecule. The isolation of the fragment ion m/z 143 in the mass analyzer could spontaneously give rise to the ion m/z 187. The Gibbs free energy of carbon dioxide addition to deprotonated pyrazole ion was significantly negative from the computational results. According to these results, we derived a proposal for the formation and structure of the ion m/z 187, which was an attachment of molecular carbon dioxide to the fragment ion m/z 143 to produce a carboxylate anion. The trace carbon dioxide was speculated to be derived from the residual atmosphere or collision gas in the instrument. This study is valuable for the qualitative and quantitative mass spectrometry analysis of pesticides containing the pyrazole functional group. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

High Char Yield and Flowable Preceramic Resin Enabled with the Monomer Functionalized SiC Particle

Ceramic matrix composites (CMCs) are used in diverse high temperature applications; however, manufacturing CMCs is highly time consuming and costly. We address this challenge by introducing a methodology for fabricating CMCs using an innovative composite preceramic resin. This composite resin contains 40% mass loading of SiC particles, which are chemically functionalized with a resin monomer. The functionalization facilitates a homogenous dispersion of SiC particles within the resin matrix, resulting in high char yield (83.6%) and enhanced impregnation efficiency through reduced melt viscosity, ~10 Pa.s for relevant shear rates. This breakthrough represents a significant stride towards developing a more economically viable and efficient manufacturing process for CMCs.

14 SOLAR ENERGY↗
DOE OSTI2023

A search for heavy Higgs bosons decaying into vector bosons in same-sign two-lepton final states in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for heavy Higgs bosons produced in association with a vector boson and decaying into a pair of vector bosons is performed in final states with two leptons (electrons or muons) of the same electric charge, missing transverse momentum and jets. A data sample of proton–proton collisions at a centre-of-mass energy of 13 TeV recorded with the ATLAS detector at the Large Hadron Collider between 2015 and 2018 is used. The data correspond to a total integrated luminosity of 139 fb –1 . The observed data are in agreement with Standard Model background expectations. The results are interpreted using higher-dimensional operators in an effective field theory. Upper limits on the production cross-section are calculated at 95% confidence level as a function of the heavy Higgs boson’s mass and coupling strengths to vector bosons. Limits are set in the Higgs boson mass range from 300 to 1500 GeV, and depend on the assumed couplings. The highest excluded mass for a heavy Higgs boson with the coupling combinations explored is 900 GeV. Limits on coupling strengths are also provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Global description of $β$ – decay with the axially deformed Skyrme finite-amplitude method: Extension to odd-mass and odd-odd nuclei

Here we use the finite-amplitude method (FAM), an efficient implementation of the quasiparticle random phase approximation, to compute $β$-decay rates with Skyrme energy-density functionals for 3983 nuclei, essentially all the medium-mass and heavy isotopes on the neutron-rich side of stability. We employ an extension of the FAM that treats odd-mass and odd-odd nuclear ground states in the equal filling approximation. Our rates are in reasonable agreement both with experimental data where available and with rates from other global calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Dynamics and microinstabilities at perpendicular collisionless shock: A comparison of large-scale two-dimensional full particle simulations with different ion to electron mass ratio

Large-scale two-dimensional (2D) full particle-in-cell (PIC) simulations are carried out for studying the relationship between the dynamics of a perpendicular shock and microinstabilities generated at the shock foot. The structure and dynamics of collisionless shocks are generally determined by Alfven Mach number and plasma beta, while microinstabilities at the shock foot are controlled by the ratio of the upstream bulk velocity to the electron thermal velocity and the ratio of the plasma-to-cyclotron frequency. With a fixed Alfven Mach number and plasma beta, the ratio of the upstream bulk velocity to the electron thermal velocity is given as a function of the ion-to-electron mass ratio. The present 2D full PIC simulations with a relatively low Alfven Mach number (M{sub A} ∼ 6) show that the modified two-stream instability is dominant with higher ion-to-electron mass ratios. It is also confirmed that waves propagating downstream are more enhanced at the shock foot near the shock ramp as the mass ratio becomes higher. The result suggests that these waves play a role in the modification of the dynamics of collisionless shocks through the interaction with shock front ripples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Search for single production of vector-like quarks decaying to a top quark and a $\mathrm {W} $ boson in proton–proton collisions at $\sqrt{s} = 13 \,\text {TeV} $

A search is presented for the single production of vector-like quarks in proton–proton collisions at $\sqrt{s}=13\,\text {TeV} $. The data, corresponding to an integrated luminosity of 35.9 $\,\text {fb}^{-1}$, were recorded with the CMS experiment at the LHC. The analysis focuses on the vector-like quark decay into a top quark and a $\mathrm {W} $ boson, with one muon or electron in the final state. The mass of the vector-like quark candidate is reconstructed from hadronic jets, the lepton, and the missing transverse momentum. Methods for the identification of $\mathrm {b}$ quarks and of highly Lorentz boosted hadronically decaying top quarks and $\mathrm {W} $ bosons are exploited in this search. No significant deviation from the standard model background expectation is observed. Exclusion limits at 95% confidence level are set on the product of the production cross section and branching fraction as a function of the vector-like quark mass, which range from 0.3 to 0.03 $\,\text {pb}$ for vector-like quark masses of 700 to 2000 $\,\text {GeV}$. Mass exclusion limits up to 1660 $\,\text {GeV}$ are obtained, depending on the vector-like quark type, coupling, and decay width. Furthermore, these represent the most stringent exclusion limits for the single production of vector-like quarks in this channel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Nonperturbative dynamics of (2+1)d φ 4 -theory from Hamiltonian truncation

We use Lightcone Conformal Truncation (LCT) - a version of Hamiltonian truncation - to study the nonperturbative, real-time dynamics of φ 4 -theory in 2+1 dimensions. This theory has UV divergences that need to be regulated. We review how, in a Hamiltonian framework with a total energy cutoff, renormalization is necessarily state-dependent, and UV sensitivity cannot be canceled with standard local operator counter-terms. To overcome this problem, we present a prescription for constructing the appropriate state-dependent counterterms for (2+1)d φ 4 -theory in lightcone quantization. We then use LCT with this counterterm prescription to study φ 4 -theory, focusing on the $\mathbb{Z}$ 2 symmetry-preserving phase. Specifically, we compute the spectrum as a function of the coupling and demonstrate the closing of the mass gap at a (scheme-dependent) critical coupling. We also compute Lorentz-invariant two-point functions, both at generic strong coupling and near the critical point, where we demonstrate IR universality and the vanishing of the trace of the stress tensor.

field theories in lower dimensions↗
DOE OSTI2014

Dynamical friction in multi-component evolving globular clusters

We use the Chandrasekhar formalism and direct N-body simulations to study the effect of dynamical friction on a test object only slightly more massive than the field stars, orbiting a spherically symmetric background of particles with a mass spectrum. The main goal is to verify whether the dynamical friction time (t {sub DF}) develops a non-monotonic radial dependence that could explain the bimodality of the blue straggler radial distributions observed in globular clusters. In these systems, in fact, relaxation effects lead to a mass and velocity radial segregation of the different mass components, so that mass-spectrum effects on t {sub DF} are expected to be dependent on radius. We find that in spite of the presence of different masses, t {sub DF} is always a monotonic function of radius, at all evolutionary times and independently of the initial concentration of the simulated cluster. This is because the radial dependence of t {sub DF} is largely dominated by the total mass density profile of the background stars (which is monotonically decreasing with radius). Hence, a progressive temporal erosion of the blue straggler star (BSS) population at larger and larger distances from the cluster center remains the simplest and the most likely explanation of the shape of the observed BSS radial distributions, as suggested in previous works. We also confirm the theoretical expectation that approximating a multi-mass globular cluster as made of (averaged) equal-mass stars can lead to significant overestimations of t {sub DF} within the half-mass radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Measurement of the top-quark pole mass in dileptonic $t\overline{t}$ + 1-jet events at $\sqrt{s}=13$ TeV with the ATLAS experiment

A measurement of the top-quark pole mass $m$$^{pole}_{t}$ is presented in $t\bar{t}$ events with an additional jet, $t\bar{t}$+ 1-jet, produced in pp collisions at $\sqrt{s} = 13 TeV. The data sample, recorded with the ATLAS experiment during Run 2 of the LHC, corresponds to an integrated luminosity of 140 fb −1 . Events with one electron and one muon of opposite electric charge in the final state are selected to measure the $t\bar{t}$ + 1-jet differential cross-section as a function of the inverse of the invariant mass of the $t\bar{t}$ + 1-jet system. Iterative Bayesian Unfolding is used to correct the data to enable comparison with fixed-order calculations at next-to-leading-order accuracy in the strong coupling. The process pp → $t\bar{t}$j(2 → 3), where top quarks are taken as stable particles, and the process pp → $b\bar{b}$l + vl – $\overline{ν}$j (2 → 7), which includes top-quark decays to the dilepton final state and off-shell effects, are considered. The top-quark mass is extracted using a χ 2 fit of the unfolded normalized differential cross-section distribution. The results obtained with the 2 → 3 and 2 → 7 calculations are compatible within theoretical uncertainties, providing an important consistency check.

Hadron-Hadron Scattering↗
DOE OSTI2023

Dynamic Molecular Investigation of the Solid-Electrolyte Interphase of an Anode-Free Lithium Metal Battery Using In Situ Liquid SIMS and Cryo-TEM

Solid electrolyte interphase (SEI) has been widely perceived to play a critical role in the stable cycling of rechargeable batteries. However, associated with the fragile and air-sensitive nature of the SEI layer, delineation of the formation process and the nature of SEI remains a big challenge. Here, we use in situ liquid time-of-flight secondary ion mass spectroscopy (TOF-SIMS), cryo- transmission electron microscope (TEM) and density functional theory (DFT) calculation to delineate molecular process on the formation of SEI layer under the dynamic operating condition. We discover that the onset potential for SEI layer formation and the thickness of the SEI show dependence on the solvation shell structure. Using LiCoO 2 as a cathode and Cu film as an anode, the SEI is noticed to start to form at around 2.0 V and reach its final thickness (irreversible part, ~ 40-50 nm) at about 3.0 V in the 1 M LiPF 6 –EC/DMC electrolyte, while for the case of 1 M LiFSI–DME, the SEI starts to form at around 1.5 V and reaches its final thickness (~ 20 nm) at about 2.0 V. The in situ TOF-SIMS clearly indicates the outer SEI layer formation and dissipation upon charging and discharging, implying a continued evolution of electrolyte structure with extended cycling. In conclusion, the present work establishes a direct correlation between the molecular signature of SEI layer with solvation feature of electrolytes in lithium batteries, providing insights for tailoring SEI layer toward improved electrochemical properties of lithium batteries.

25 ENERGY STORAGE↗
DOE OSTI2018

B c mesons and their properties on the light front

We investigate the unequal-mass relativistic bound-state system, the B c mesons, in a light-front Hamiltonian formalism. We adopt an effective Hamiltonian based on soft-wall light-front holography, together with a longitudinal confinement that was first introduced for heavy quarkonium. We also include the one-gluon-exchange interaction with a running coupling, which produces the spin structure. Here, we present the mass spectrum and light-front wave functions. We also use the light-front wave functions to calculate decay constants, charge and momentum densities, as well as distribution amplitudes. The results are compared with experiments and other theoretical approaches, all of which are in reasonable agreement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗