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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Unified description of the coupled-channels and statistical Hauser-Feshbach nuclear reaction theories for low energy neutron incident reactions

We incorporate the coupled-channels optical model into the statistical Hauser-Feshbach nuclear reaction theory, where the scattering matrix is diagonalized by performing the Engelbrecht-Weidenmüller transformation. This technique has been implemented in the coupled-channels optical model code ECIS by J. Raynal, and we extend this method so that all the open channels in a nucleon-induced reaction on a deformed nucleus can be calculated consistently.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Simulation of enhanced light extraction from periodic, disordered, and quasi-periodic OLED structures

Here we have developed a rigorous scattering matrix theory of light emission from periodically structured media using a Green’s function approach. We computationally simulate the spectral power inside the structure, incorporating Purcell factor enhancements, and find internal waveguiding modes and plasmonic losses. We simulate the light-outcoupling factor η out and describe how corrugations and structured media can enhance η out . We have extended our framework to describe non-periodic disordered arrays as well as aperiodic quasi-crystalline arrays. Flat organic light-emitting diodes (OLEDs) have low outcoupling with η out ~20% since most of the light is trapped in waveguided modes in higher index layers or lost to plasmonic excitations at the metal cathode. Periodically corrugated OLEDs can achieve highly enhanced η out ~65%-70% for pitch values between 1000 and 2000 nm, representing an enhancement factor >3 over planar structures. Periodic corrugations strongly diffract trapped waveguided and plasmonic modes to the emissive air cone. Disordered templates also can cause significant enhanced outcoupling with η out ~50%-55% for smaller nearest-neighbor separations of 300–400 nm. Quasi-crystalline tilings can also lead to enhancements of η out ~50%-55%. This framework can be utilized to design novel structured media that can generate high light extraction.

42 ENGINEERING↗
DOE OSTI2020

Dynamical Control of Broadband Coherent Absorption in ENZ Films

Interferometric effects between two counter-propagating beams incident on an optical system can lead to a coherent modulation of the absorption of the total electromagnetic radiation with 100% efficiency even in deeply subwavelength structures. Coherent perfect absorption (CPA) rises from a resonant solution of the scattering matrix and often requires engineered optical properties. For instance, thin film CPA benefits from complex nanostructures with suitable resonance, albeit at a loss of operational bandwidth. In this work, we theoretically and experimentally demonstrate a broadband CPA based on light-with-light modulation in epsilon-near-zero (ENZ) subwavelength films. We show that unpatterned ENZ films with different thicknesses exhibit broadband CPA with a near-unity maximum value located at the ENZ wavelength. By using Kerr optical nonlinearities, we dynamically tune the visibility and peak wavelength of the total energy modulation. Our results based on homogeneous thick ENZ media open a route towards on-chip devices that require efficient light absorption and dynamical tunability.

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

Improvement of SCALE-XSPROC Multigroup Cross Section Processing Based on the CENTRM Pointwise Slowing Down Calculation

The SCALE-XSProc multigroup (MG) cross section processing procedure based on the CENTRM pointwise slowing down calculation is the primary procedure to process problem-dependent self-shielded MG cross sections and scattering matrices for neutron transport calculations.This procedure supports various cell-based geometries including slab, 1-D cylindrical, 1-D spherical and 2-D rectangular configurations and doubly heterogeneous particulate fuels. Recently, this procedure has been significantly improved to be applied to any advanced reactor analysis covering thermal and fast reactor systems, and to be comparable to continuous energy (CE) Monte Carlo calculations. Some reactivity bias and reaction rate differences have been observed compared with CE Monte Carlo calculations, and several areas for improvement have been identified in the SCALE-XSProc MG cross section processing: (1) resonance self-shielding calculations within the unresolved resonance range, (2) 10 eV thermal cut-off energy for the free gas model, (3) on-the-fly adjustments to the thermal scattering matrix, (4) normalization of the pointwise neutron flux, and (5) fine MG energy structure. This procedure ensures very accurate MG cross section processing for high-fidelity deterministic reactor physics analysis for various advanced reactor systems.

Kim, Kang Seog↗
DOE OSTI2025

Real-time scattering in Ising field theory using matrix product states

We study scattering in Ising field theory (IFT) using matrix product states and the time-dependent variational principle. IFT is a one-parameter family of strongly coupled nonintegrable quantum field theories in 1+1 dimensions, interpolating between massive free fermion theory and Zamolodchikov's integrable massive 𝐸 8 theory. Particles in IFT may scatter either elastically or inelastically. In the postcollision wave function, particle tracks from all final-state channels occur in superposition; processes of interest can be isolated by projecting the wave function onto definite particle sectors, or by evaluating energy density correlation functions. Using numerical simulations we determine the time delay of elastic scattering and the probability of inelastic particle production as a function of collision energy. We also study the mass and width of the lightest resonance near the 𝐸 8 point in detail. Close to both the free fermion and 𝐸 8 theories, our results for both elastic and inelastic scattering are in good agreement with expectations from form-factor perturbation theory. Using numerical computations to go beyond the regime accessible by perturbation theory, we find that the high-energy behavior of the two-to-two particle scattering probability in IFT is consistent with a conjecture of Zamolodchikov. Our results demonstrate the efficacy of tensor-network methods for simulating the real-time dynamics of strongly coupled quantum field theories in 1+1 dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Lattice QCD study of π Σ − K ¯ N scattering and the Λ ( 1405 ) resonance

A lattice QCD computation of the coupled channel π Σ – K ¯ N scattering amplitudes in the Λ ( 1405 ) region is detailed. Results are obtained using a single ensemble of gauge field configurations with N f = 2 + 1 dynamical quark flavors and m π ≈ 200 MeV and m K ≈ 487 MeV . Hermitian correlation matrices using both single baryon and meson-baryon interpolating operators for a variety of different total momenta and irreducible representations are used. Several parametrizations of the two-channel scattering K -matrix are utilized to obtain the scattering amplitudes from the finite-volume spectrum. The amplitudes, continued to the complex energy plane, exhibit a virtual bound state below the π Σ threshold and a resonance pole just below the K ¯ N threshold. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Small Angle Scattering Data Analysis Assisted by Machine Learning Methods

Small angle scattering (SAS) is a widely used technique for characterizing structures of wide ranges of materials. For such wide ranges of applications of SAS, there exist a large number of ways to model the scattering data. While such analysis models are often available from various suites of SAS data analysis software packages, selecting the right model to start with poses a big challenge for beginners to SAS data analysis. Here, we present machine learning (ML) methods that can assist users by suggesting scattering models for data analysis. A series of one-dimensional scattering curves have been generated by using different models to train the algorithms. The performance of the ML method is studied for various types of ML algorithms, resolution of the dataset, and the number of the dataset. The degree of similarities among selected scattering models is presented in terms of the confusion matrix. The scattering model suggestions with prediction scores provide a list of scattering models that are likely to succeed. Therefore, if implemented with extensive libraries of scattering models, this method can speed up the data analysis workflow by reducing search spaces for appropriate scattering models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Success and breakdown of the T-matrix approximation for phonon-disorder scattering

Here, we examine the validity of the widely used T-matrix approximation for treating phonon-disorder scattering by implementing an unfolding algorithm that allows simulation of disorder up to tens of millions of atoms. The T-matrix approximation breaks down for low-energy flexure phonons that play an important role in thermal transport in two-dimensional materials. Furthermore, insights are developed into the success of the T-matrix approximation in describing maximally mass disordered systems. To achieve this, the phonon unfolding formalism is generalized to describe mass disorder and strongly nonperturbative features of the spectrum are connected to the Boltzmann quasiparticle picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Tunable quantum logic gate on photonic qubits with a ladder emitter

We describe how a ladder emitter can implement a tunable quantum logic gate on photonic qubits encoded in the frequency basis. The ground-to-first excited state of the ladder emitter interacts with the control photon, and the first-to-second excited state transition interacts with the target photon. By controlling the relative detuning between the target photon and the first-to-second excited state transition of the ladder emitter, we enable any controlled-phase operation from 0 to π. We derive analytical formulas for the performance of the gate through the S-matrix formalism as well as describe the mechanism intuitively. This gate is deterministic, does not utilize any active control, and needs only a single ladder emitter, enabling low-footprint and more efficient decomposition of quantum circuits, especially the quantum Fourier transform. We suggest multiple potential systems for physical realization of our proposal, such as lanthanide ions embedded in Purcell-enhanced cavities. We expect these results to motivate further interest in photonic quantum information processing with designer emitters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Intrinsic quality factor extraction of multi-port cavity with arbitrary coupling

In this work, we derived S-parameter based expressions for the intrinsic quality factor of an arbitrary coupled multiport microwave cavity and a non-ideal test fixture. Practical accuracy limitations of the obtained expressions specifically for superconducting accelerator cavities were evaluated both analytically and with the simulation software. The resulting formulas can be used to extract the intrinsic quality factor of normal-conducting and superconducting cavities directly from the calibrated S-parameter measurements.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Quantum reactive scattering calculations for the cold and ultracold Li + LiNa → Li 2 + Na reaction

A first-principles based quantum dynamics study of the Li + LiNa(ν = 0, j = 0) → Li 2 (ν', j') + Na reaction is reported for collision energies spanning the ultracold (1 nK) to cold (1 K) regimes. A full-dimensional ab initio potential energy surface for the ground electronic state of Li 2 Na is utilized that includes an accurate treatment of the long-range interactions. The Li + LiNa reaction is barrierless and exoergic and exhibits a deep attractive potential well that supports complex formation. Thus, significant reactivity occurs even for collision temperatures approaching absolute zero. The reactive scattering calculations are based on a numerically exact time-independent quantum dynamics methodology in hyperspherical coordinates. Total and rotationally resolved rate coefficients are reported at 56 collision energies and include all contributing partial waves. Several shape resonances are observed in many of the rotationally resolved rate coefficients and a small resonance feature is also reported in the total rate coefficient near 50 mK. Furthermore, of particular interest, the angular distributions or differential cross sections are reported as a function of both the collision energy and scattering angle. Unique quantum fingerprints (bumps, channels, and ripples) are observed in the angular distributions for each product rotational state due to quantum interference and shape resonance contributions. The Li + LiNa reaction is under active experimental investigation so that these intriguing features could be verified experimentally when sufficient product state resolution becomes feasible for collision energies below 1 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A GHz-frequency multistrip acoustic beam splitter for quantum applications

Here we demonstrate a microwave-frequency, two-track acoustic beam splitter, based on a multistrip coupler design matched to four unidirectional transducers, two on each of the two acoustic tracks that make up the device. We explain the device design and its experimental implementation, showing good agreement between our model and the measured device scattering spectra. The beam splitter regime, dividing an input signal at port 1 into closely equal outputs at ports 2 and 3, is reached over a 94.7 MHz bandwidth centered at 4.79 GHz, with an output power division ratio |S 21 /S 31 | 2 = 1.1 ± 0.2. The measured bandwidth of the device is limited by the bandwidth of the transducers, rather than that of the multistrip coupler.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Characterisation of nano-assemblies inside mesopores using neutron scattering

Adsorption of molecular and nanoscale matter in mesoporous materials is important in filtration and chromatography as well as membrane processes. However, the morphology and distribution of self-assembled structures of adsorbate formed within nanoconfined environments is largely unknown. Small Angle Neutron Scattering (SANS) with porous matrix matching the neutron scattering length density of the solvent has the potential to provide detailed information on the self-assemblies formed in pore spaces. However, analysis of such SANS profiles remains a challenge. In this study, we extend the SANS analysis method previously developed by Findenegg and co-workers to include interparticle correlations, providing a qualitative characterisation of the adsorption state of surfactants and nanoparticles in the cylindrical pores of silica nanomaterials. We find that the pore filling fraction and the self-assembled state of the adsorbate governs the scattering profile. We apply the model to two materials namely, triethyleneglycol monohexyl ether (C 6 E 3 ) surfactant and gold nanoparticles adsorbed in SBA-15 mesoporous silica. In contrast to the C 6 E 3 system, Bragg scattering dominates the diffuse scattering in gold nanoparticle system, which we attribute to the immobile internal structure of the nanoparticles. In conclusion, this new SANS analysis method has potential to elucidate structures of soft matter nanoassemblies inside mesopores.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

How Much Attenuation Extinguishes mm-Wave Vertically Pointing Radar Return Signals?

Vertically pointing radars (VPRs) operating at millimeter wavelengths measure the power return from raindrops enabling precipitation retrievals as a function of height. However, as the rain rate increases, there are combinations of rain rate and rain path length that produce sufficient attenuation to prevent the radar from detecting raindrops all the way through rain shafts. This study explores the question: Which rain rate and path length combinations completely extinguish radar return signals for VPRs operating between 3 and 200 GHz? An important step in these simulations is converting attenuated radar reflectivity factor into radar received signal-to-noise ratio (SNR) in order to determine the range where the SNR drops below the receiver detection threshold. Configuring the simulations to mimic a U.S. Department of Energy Atmospheric Radiation Mission (ARM) W-band (95 GHz) radar deployed in Brazil, the simulation results indicate that a W-band radar could observe raindrops above 3.5 km only when the rain rate was less than approximately 4 mm h -1 . The deployed W-band radar measurements confirm the simulation results with maximum observed heights ranging between 3 and 4.5 km when a surface disdrometer measured 4 mm h -1 rain rate (based on 25-to-75 percentiles from over 25,000 W-band radar profiles). In summary, this study contributes to our understanding of how rain and atmospheric gas attenuation impacts the performance of millimeter-wave VPRs and will help with the design and configuration of multi-frequency VPRs deployed in future field campaigns.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

𝐴𝑏 initio density-matrix approach to exciton coherence: Phonon scattering, Coulomb interactions, and radiative recombination

Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition-metal dichalcogenides, quasi-two-dimensional excitonic semiconductors in which atomistic design allows for tunable excited-state properties, such as relaxation lifetimes and photoinduced coherence. In this work, we present a density-matrix-based approach to compute exciton relaxation within a many-body ab initio perspective. We expand our previously developed Lindblad density-matrix formalism to capture multichannel electron-hole pair relaxation processes, including phonon and Coulomb scattering as well as radiative recombination, and we study their effect on the time-resolved excited-state propagation. Using monolayer MoSe 2 as a prototypical example, we examine many-body effects on the time-dependent dynamics of photoactive excitations, exploring how the electron-hole pair interactions are reflected in variations of the excitation energy, spectral signature, and state coherence. In conclusion, our method supplies a detailed understanding of exciton relaxation mechanisms in realistic materials, offering a previously unexplored pathway to study excited-state dynamics in semiconductors from first principles.

Band structure methods↗
DOE OSTI2022

New oscillation and scattering constraints on the tau row matrix elements without assuming unitarity

The tau neutrino is the least well measured particle in the Standard Model. Most notably, the tau neutrino row of the lepton mixing matrix is quite poorly constrained when unitarity is not assumed. In this paper, we identify data sets involving tau neutrinos that improve our understanding of the tau neutrino part of the mixing matrix, in particular ν ${\tau}$ appearance in atmospheric neutrinos. We present new results on the elements of the tau row leveraging existing constraints on the electron and muon rows for the cases of unitarity violation, with and without kinematically accessible steriles. We also show the expected sensitivity due to upcoming experiments and demonstrate that the tau neutrino row precision may be comparable to the muon neutrino row in a careful combined fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Bound states in the B -matrix formalism for the three-body scattering

In this work, we consider a model of relativistic three-body scattering with a bound state in the two-body subchannel. We show that the naiïve K-matrix type parametrization, here referred to as the B-matrix, has nonphysical singularities near the physical region. We show how to eliminate such singularities by using dispersion relations and also show how to reproduce unitarity relations by taking into account all relevant open channels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗