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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multi-instanton calculus in $c$ = 1 string theory

We formulate a strategy for computing the complete set of non-perturbative corrections to closed string scattering in c = 1 string theory from the worldsheet per spective. This requires taking into account the effect of multiple ZZ-instantons, including higher instantons constructed from ZZ boundary conditions of type (m, 1), with a careful treatment of the measure and contour in the integration over the instanton moduli space. The only a priori ambiguity in our prescription is a normalization constant $\mathcal{N}_m$ that ap pears in the integration measure for the (m, 1)-type ZZ instanton, at each positive integer m. We investigate leading corrections to the closed string reflection amplitude at the n instanton level, i.e. of order e -n/g s , and find striking agreement with our recent proposal on the non-perturbative completion of the dual matrix quantum mechanics, which in turn fixes $\mathcal{N}_m$ for all m.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Scalable quantum simulations of scattering in scalar field theory on 120 qubits

Simulations of collisions of fundamental particles on a quantum computer are expected to have an exponential advantage over classical methods and promise to enhance searches for new physics. Furthermore, scattering in scalar field theory has been shown to be bounded-error quantum polynomial time (BQP) complete, making it a representative problem for which quantum computation is efficient. As a step toward large-scale quantum simulations of collision processes, scattering of wave packets in one-dimensional scalar field theory is simulated using 120 qubits of IBM’s Heron superconducting quantum computer ibm_fez. Variational circuits compressing vacuum preparation, wave packet initialization, and time evolution are determined using classical resources. By leveraging physical properties of states in the theory, such as symmetries and locality, the variational quantum algorithm constructs scalable circuits that can be used to simulate arbitrarily large system sizes. A new strategy is introduced to mitigate errors in quantum simulations, which enables the extraction of meaningful results from circuits with up to 4924 two-qubit gates and two-qubit gate depths of 103. The effect of interactions is clearly seen, and is found to be in agreement with classical matrix product state simulations. Finally, the developments that will be necessary to simulate high-energy inelastic collisions on a quantum computer are discussed.

quantum circuits↗
DOE OSTI2020

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Using optimal estimation to retrieve winds from velocity-azimuth display (VAD) scans by a Doppler lidar

Abstract. Low-powered commercially available coherent Doppler lidar (CDL) wind profilers provide continuous measurement of vertical profiles of wind in the lower troposphere, usually close to or up to the top of the planetary boundary layer. The vertical extent of these wind profiles is limited by the availability of scatterers and thus varies substantially throughout the day and from one day to the next. This makes it challenging to develop continuous products that rely on CDL-observed wind profiles. In order to overcome this problem, we have developed a new method for wind profile retrievals from CDL that combines the traditional velocity-azimuth display (VAD) technique with optimal estimation (OE) to provide continuous wind profiles up to 3 km. The new method exploits the level-to-level covariance present in the wind profile to fill in the gaps where the signal-to-noise ratio of the CDL return is too low to provide reliable results using the traditional VAD method. Another advantage of the new method is that it provides the full error covariance matrix of the solution and profiles of information content, which more easily facilitates the assimilation of the observed wind profiles into numerical weather prediction models. This method was tested using yearlong CDL measurements at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) Central Facility in 2019. Comparison with the ARM operational CDL wind profile product and collocated radiosonde wind measurements shows excellent agreement (R2>0.99) with no degradation in results where the traditional VAD provided a valid solution. In the region where traditional VAD does not provide results, the OE wind speed and wind vector have uncertainties of 3.44 and 4.33 m s−1, respectively. As a result, the new method provides additional information over the standard technique and increases the effective range of existing CDL systems without the need for additional hardware.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Sample Size Effects on Petrophysical Characterization and Fluid-to-Pore Accessibility of Natural Rocks

Laboratory-scale analysis of natural rocks provides petrophysical properties such as density, porosity, pore diameter/pore-throat diameter distribution, and fluid accessibility, in addition to the size and shape of framework grains and their contact relationship with the rock matrix. Different types of laboratory approaches for petrophysical characterization involve the use of a range of sample sizes. While the sample sizes selected should aim to be representative of the rock body, there are inherent limitations imposed by the analytical principles and holding capacities of the different experimental apparatuses, with many instruments only able to accept samples at the μm–mm scale. Therefore, a total of nine (three limestones, three shales, two sandstones, and one dolomite) samples were collected from Texas to fill the knowledge gap of the sample size effect on the resultant petrophysical characteristics. The sample sizes ranged from 3 cm cubes to <75 μm particles. Using a combination of petrographic microscopy, helium expansion pycnometry, water immersion porosimetry, mercury intrusion porosimetry, and (ultra-) small-angle X-ray scattering, the impact of sample size on the petrophysical properties of these samples was systematically investigated here. The results suggest that the sample size effect is influenced by both pore structure changes during crushing and sample size-dependent fluid-to-pore connectivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tailoring compatibilization potential of maleic anhydride–grafted polypropylene by sequential rheochemical processing of polypropylene and polyamide 66 blends

Reactive compatibilization of immiscible polymer blends using a preferred compatibilizer leaves the following question: How much loading of a compatibilizer is good enough and what maximum properties can be achieved? A good understanding of the process can help solve the reutilization of mixed waste plastics. Here, the reactive compatibilization of polypropylene-graft-maleic anhydride (PP-g-MAH) on polypropylene/polyamide 66 (PP/PA66) blends is quantitatively assessed using thermorheological, microoptical, spectroscopic, and x-ray scattering-based characterization tools. The overall compositions of all PP(60%)/PA66(30%)/PP-g-MAH(10%) blends are kept constant while systematically controlling the degree of the chemical reaction by varying the sequential addition of PP-g-MAH to the melt mixture. The first feeding of PP-g-MAH (x%, 0 ≤ x ≤ 10) is conducted at 280°C and the second feeding of (10–x)% is at 200°C. During the first step, a larger amount of chemical activity is observed up to 4%–6% addition of PP-g-MAH. Furthermore, the constant chemical composition allows a systematic comparison of the compatibilizer-dependent thermal, rheological, morphological, and mechanical properties. With an increased degree of interfacial reaction, the size of dispersed PA66 domains decreases to register improved interfacial adhesion with the PP matrix, yielding enhanced Young's modulus and absolute failure strength of the isotropic matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An Accelerated Creep Testing Program For Nickel Based Superalloys

In order to improve the energy production within the United States, new materials are developed with the goal of increased functionality. These materials are required to perform at extreme pressures and temperatures (up to and beyond 200MPa and 650â??) as well as be sustainable beyond 105 hours. Before developing these materials into components for power generation, mechanical testing is required to better understand the behavior of these materials at various loads and temperatures. The longest of these tests is the conventional creep test which is a real time test that can beyond 105 hours depending on service conditions. Hundreds of specimens must be tested before being approved for use in power generation, but it is extremely difficult to rapidly qualify when each material is required to exceed 105 hours making testing through conventional means unfeasible. While others have designed accelerated testing methods to help qualify materials, many of these experiments use an empirical approach that requires test data to fit already existing creep data. In this study, an accelerated creep test called the stepped isostress method (SSM) is then applied to wrought Inconel 718 (IN 718) specimens. A test matrix is designed using deformation mechanism maps, time-temperature-transformation diagrams, and time-temperature-precipitation diagrams, in order to ensure that microstructurally, the accelerated creep tests fail similarly to the conventional creep tests. The data from the stepped isostress method is then applied to the McVetty and Sin-hyperbolic (Sinh) constitutive models in order to generate a creep master curve. The results from the model fits are then compared to the conventional creep data done from experiments as well as from the NIMS database for Inconel 718. Optical microscopy and scanning electron microscopy are used to compare the evolution of the microstructure from the conventional creep and accelerated creep tests. It is found that using the Sinh model on the accelerated creep data provides reasonable creep rupture predictions when compared to the scatter band of creep tests. It was also observed that the microstructural evolution between the SSM experiments and creep tests were very similar in terms of the volume fraction of precipitates and phases.

Mach, Robert↗
DOE OSTI2024

Search for heavy Majorana neutrinos in e ± e ± and e ± μ ± final states via WW scattering in pp collisions at s = 13 TeV with the ATLAS detector

A search for heavy Majorana neutrinos in scattering of same-sign W boson pairs in proton–proton collisions at $\sqrt{s}$ = 13 TeV at the LHC is reported. The dataset used corresponds to an integrated luminosity of 140 fb -1 , collected with the ATLAS detector during 2015–2018. The search is performed in final states including a same-sign ee or eμ pair and at least two jets with large invariant mass and a large rapidity difference. No significant excess of events with respect to the Standard Model background predictions is observed. The results are interpreted in a benchmark scenario of the Phenomenological Type-I Seesaw model. New constraints are set on the values of the |V eN | 2 and |V eN V$^{*}_{μN}$| parameters for heavy Majorana neutrino masses between 50 GeV and 20 TeV, where V ℓN is the matrix element describing the mixing of the heavy Majorana neutrino mass eigenstate with the Standard Model neutrino of flavour ℓ = e,μ. The sensitivity to the Weinberg operator is investigated and constraints on the effective ee and eμ Majorana neutrino masses are reported. The statistical combination of the ee and eμ channels with the previously published μμ channel is performed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Magnetization dynamics fingerprints of an excitonic condensate t 2 g 4 magnet

The competition between spin-orbit coupling (SOC) λ and electron-electron interaction U leads to a plethora of novel states of matter, extensively studied in the context of t 2 g 4 and t 2 g 5 materials, such as ruthenates and iridates. Excitonic magnets—the antiferromagnetic state of bounded electron-hole pairs-are prominent examples of phenomena driven by those competing energy scales. Interestingly, recent theoretical studies predicted that excitonic magnets can be found in the ground state of SOC t 2 g 4 Hubbard models. Here we present a detailed computational study of the magnetic excitations in that excitonic magnet, employing one-dimensional chains (via density matrix renormalization group) and small two-dimensional clusters (via Lanczos). Specifically, first we show that the low-energy spectrum is dominated by a dispersive (acoustic) magnonic mode, with extra features arising from the λ = 0 state in the phase diagram. Second, and more importantly, we found a novel magnetic excitation forming a high-energy optical mode with the highest intensity at wave-vector q → 0 . In the excitonic condensation regime at large U , we also have found a novel high-energy π mode composed solely of orbital excitations. Overall, these features do not appear all together in any of the neighboring states in the phase diagram and thus constitute unique fingerprints of the t 2 g 4 excitonic magnet, of importance in the analysis of neutron and resonant inelastic x-ray scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Symbol alphabets from plabic graphs III: n = 9

Symbol alphabets of n-particle amplitudes in N = 4 super-Yang-Mills theory are known to contain certain cluster variables of G(4, n) as well as certain algebraic functions of cluster variables. In this paper we solve the C Z = 0 matrix equations associated to several cells of the totally non-negative Grassmannian, combining methods of arXiv:2012.15812 for rational letters and arXiv:2007.00646 for algebraic letters. We identify sets of parameterizations of the top cell of G + (5, 9) for which the solutions produce all of (and only) the cluster variable letters of the 2-loop nine-particle NMHV amplitude, and identify plabic graphs from which all of its algebraic letters originate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Isotopic and vibrational-level dependence of H 2 dissociation by electron impact

The low-energy electron-impact dissociation of molecular hydrogen has been a source of disagreement between various calculations and measurements for decades. Excitation of the ground state of H 2 into the dissociative b 3 $Σ$$$^{+}_{u}$ state is now well understood, with the most recent measurements being in excellent agreement with the molecular convergent close-coupling (MCCC) calculations of both integral and differential cross sections [Zawadzki et al., Phys. Rev. A 98, 062704 (2018)]. However, in the absence of similar measurements for vibrationally excited or isotopically substituted H 2 , cross sections for dissociation of these species must be determined by theory alone. We have identified large discrepancies between MCCC calculations and the recommended R-matrix cross sections for dissociation of vibrationally excited H 2 , D 2 , T 2 , HD, HT, and DT [Trevisan et al., Plasma Phys. Contr. Fusion 44 1263 (2002); Plasma Phys. Contr. Fusion 44, 2217 (2002)], with disagreement in both the isotope effect and dependence on initial vibrational level. Furthermore, we investigate the source of the discrepancies, and discuss the consequences for plasma models, which have incorporated the previously recommended data.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

To grind or not to grind? The influence of mechanical and thermal treatments on the $\mathrm{Cu/Zn}$ disorder in $\mathrm{Cu}$ 2 $\mathrm{ZnSn}$($\mathrm{S}$ x $\mathrm{Se}$ 1-x ) 4 monograins

We report that Kesterite-type based thin film solar cell technologies are mainly based on polycrystalline absorber layers. A promising low cost alternative technology uses Cu 2 ZnSn(S x Se 1-x ) 4 (CZTSSe) monograins (single crystals of 20–100 μm size) which are fixed in a polymer matrix to form a flexible solar cell. The Cu/Zn disorder is discussed as a possible reason for band tailing causing voltage losses limiting the efficiency of CZTSSe-based devices. The experimental determination of the order parameter Q which is a quantitative measure of Cu/Zn disorder, requires a differentiation between the isoelectronic cations Cu + and Zn 2+ . An in-depth analysis of neutron diffraction data allows the determination of type and concentration of intrinsic point defects including a distinction between Cu and Zn. Neutron diffraction requires large sample volumes, thus monograins offer the unique possibility to correlate structural disorder in CZTSSe with device performance parameters. In this study we tackle the influence of grinding the monograins on stoichiometry deviations, the Cu/Zn disorder as well as intrinsic point defects and optoelectronic properties of CZTSSe monograins. Moreover, an easy methodology based on Raman scattering spectroscopy is proposed for the assessment of Cu/Zn disorder in the CZTSSe compounds.

14 SOLAR ENERGY↗
DOE OSTI2022

Electronic structure, magnetic properties, and pairing tendencies of the copper-based honeycomb lattice Na 2 Cu 2 TeO 6

Spin-1/2 chains with alternating antiferromagnetic (AFM) and ferromagnetic (FM) couplings have attracted considerable interest due to the topological character of their spin excitations. Here, using density functional theory and density-matrix renormalization-group (DMRG) methods, we have systematically studied the dimerized chain system Na 2 Cu 2 TeO 6 with a d 9 electronic configuration. Near the Fermi level, in the nonmagnetic phase the dominant states are mainly contributed by the Cu 3d x 2 -y 2 orbitals highly hybridized with the O 2p orbitals, leading to an “effective” single-orbital low-energy model. By calculating the relevant hoping amplitudes, we explain the size and sign of the exchange interactions in Na 2 Cu 2 TeO 6 . In addition, a single-orbital Hubbard model is constructed for this dimerized chain system where the quantum fluctuations are taken into account. Both AFM and FM couplings (leading to an ↑|-|↓-|↓-↑| state) along the chain were found in our DMRG and Lanczos calculations, in agreement with density functional theory and neutron-scattering results. The hole pairing binding energy ΔE is predicted to be negative at Hubbard U~ 11eV, suggesting incipient pairing tendencies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Notes on resonances and unitarity from celestial amplitudes

We study the celestial description of the O(N) sigma model in the large N limit as introduced by Coleman, Jackiw and Politzer. Focusing on three dimensions, we analyze the implications of a UV complete, all-loop order 4-point amplitude of pions in terms of correlation functions defined on the celestial circle. We find these retain many key features from the previously studied tree-level case, such as their relation to Generalized Free Field theories and crossing-symmetry, but also incorporate new properties such as IR/UV softness and S-matrix metastable states. In particular, to understand unitarity, we propose a form of the optical theorem that controls the imaginary part of the correlator based solely on the presence of these resonances. We also explicitly analyze the conformal block expansions and factorization of four-point functions into three-point functions. We find that summing over resonances is key for these factorization properties to hold. We end with some topics for future study.

1/N expansion↗
DOE OSTI2025

Finite- and infinite-volume study of DDπ scattering

We develop a comprehensive framework for extracting the pole position and properties of the doubly-charmed tetraquark $T$$^{+}_{cc}$(3875) from lattice QCD data using the relativistic three-particle formalism. This approach incorporates the effect of the one-pion exchange diagram in DDπ and DD ∗ scattering, making it applicable at energies coinciding with the left-hand cut in the partial-wave projected DD ∗ amplitude. We present an example application of this framework to existing lattice QCD data at mπ = 280 MeV. We solve the integral equations describing the DDπ reaction, use LSZ reduction to determine the corresponding DD ∗ amplitude, and find the values of the infinite-volume two- and three-body K matrices that lead to agreement with lattice DD ∗ phase shifts within their uncertainties. Using these K matrices in the three-particle quantization condition, we describe the finite- volume DD ∗ spectrum and find good agreement with the lattice QCD energies. Our results suggest that, at this pion mass, the tetraquark appears as a pair of subthreshold complex poles whose precise location strongly depends on the value of the DDπ three-particle K matrix.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Resonance form factors from finite-volume correlation functions with the external field method

A novel method for the extraction of form factors of unstable particles on the lattice is proposed. The approach is based on the study of two-particle scattering in a static, spatially periodic external field by using a generalization of the Lüscher method in the presence of such a field. It is shown that the resonance form factor is given by the derivative of the resonance pole position in the complex plane with respect to the coupling constant to the external field. Unlike the standard approach, this proposal does not suffer from problems caused by the presence of the triangle diagram.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Application of an energy-dependent instrument response function to analysis of nTOF data from cryogenic DT experiments

Neutron time-of-flight (nTOF) detectors are used to diagnose the conditions present in inertial confinement fusion (ICF) experiments and basic laboratory physics experiments performed on an ICF platform. The instrument response function (IRF) of these detectors is constructed by convolution of two components: an x-ray IRF and a neutron interaction response. The shape of the neutron interaction response varies with incident neutron energy, changing the shape of the total IRF. Analyses of nTOF data that span a broad range of energies must account for this energy-dependence in order to accurately infer plasma parameters and nuclear properties in ICF experiments. This work briefly reviews a matrix multiplication approach to convolution which allows for an energy-dependent change in the shape of the IRF. This method is applied to synthetic data resembling symmetric cryogenic DT implosions to examine the effect of the energy-dependent IRF on the inferred areal density. Here, results of forward fits that infer ion temperatures and areal densities from nTOF data collected during cryogenic DT experiments on OMEGA are also discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Percolated Ionic Aggregate Morphologies and Decoupled Ion Transport in Precise Sulfonated Polymers Synthesized by Ring-Opening Metathesis Polymerization

Here, we describe a set of precise single-ion conducting polymers that form self-assembled percolated ionic aggregates in glassy polymer matrices and have decoupled transport of metal cations. These precise single-ion conductors (SICs), synthesized by a scalable ring-opening metathesis polymerization, consist of a polyethylene backbone with a sulfonated phenyl group pendant on every fifth carbon and are fully neutralized by a counterion X + (Li + , Na + , or Cs + ). Experimental X-ray scattering measurements and fully atomistic molecular dynamics (MD) simulations are in good agreement. The MD simulations show that the ionic groups nanophase separate from the polymer backbone to form percolating ionic aggregates. Using graph theory, we find that within the Li + - and Na + -neutralized polymers the percolated aggregates exhibit planar and ribbon-like configurations at intermediate length scales, while the percolated aggregates within the Cs + -neutralized polymers are more isotropic. Electrical impedance spectroscopy measurements show that the ionic conductivities exhibit Arrhenius behavior, with conductivities of 10 –7 to 10 –6 S/cm at 180 °C. In the MD simulations, the cations move between sulfonate groups in the percolated aggregates, larger ions travel further, and overall cations travel further than the polymer backbones, indicating a decoupled ion-transport mechanism. Thus, the percolated ionic aggregates in these polymers can serve as pathways to facilitate decoupled ion motion through a glassy polymer matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗