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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 OSTI2021

Non-adiabatic quantum interference in the ultracold Li + LiNa → Li 2 + Na reaction

Electronically non-adiabatic effects play an important role in many chemical reactions. However, how these effects manifest in cold and ultracold chemistry remains largely unexplored. Here for the first time we present from first principles the non-adiabatic quantum dynamics of the reactive scattering between ultracold alkali-metal LiNa molecules and Li atoms. We show that non-adiabatic dynamics induces quantum interference effects that dramatically alter the ultracold rotationally resolved reaction rate coefficients. The interference effect arises from the conical intersection between the ground and an excited electronic state that is energetically accessible even for ultracold collisions. These unique interference effects might be exploited for quantum control applications such as a quantum molecular switch. The non-adiabatic dynamics are based on full-dimensional ab initio potential energy surfaces for the two electronic states that includes the non-adiabatic couplings and an accurate treatment of the long-range interactions. A statistical analysis of rotational populations of the Li2 product reveals a Poisson distribution implying the underlying classical dynamics are chaotic. The Poisson distribution is robust and amenable to experimental verification and appears to be a universal property of ultracold reactions involving alkali metal dimers.

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

Inferred UV fluence focal-spot profiles from soft x-ray pinhole-camera measurements on OMEGA

A method was developed with laser-irradiated Au planar foils to characterize the focal spot of UV laser beams on target at full energy from soft x-ray emission. A pinhole camera with a back-thinned charge-coupled–device detector and filtration with thin Be and Al foil filters provides images of the x-ray emission at photon energies <2 keV. This method requires a careful measurement of the relation between the applied UV fluence and the x-ray signal, which can be described by a power-law dependence. The measured exponent γ ~ 2 provides a dynamic range of ~25 for the inferred UV fluence. UV fluence profiles of selected beams were measured for 100-ps and 1-ns laser pulses and were compared to directly measured profiles from an UV equivalent-target-plane diagnostic. The inferred spot size and super-Gaussian order from the x-ray technique agree within several percent with the values measured with the direct UV measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Preliminary Evaluation of Joint Electricity-Hydrogen Concept of Operations

An initial thermal power dispatch (TPD) concept of operations was evaluated that couples a nuclear power plant to a nearby hydrogen production plant. GSE Systems’ generic pressurized water reactor full-scope simulator was modified with a TPD model comprised of a thermal power extraction and delivery system. A prototype human-system interface (HSI) was developed to interact with the TPD model and allow participants to execute the basic operating scenarios for normal operations. Four retired operators performed the evaluation, and due to COVID-19 travel restrictions, the original in-person experimental design was restructured to support a remote participator evaluation using a web meeting platform. Data from operator feedback, observations from the research team, and quantitative survey responses revealed that the initial TPD concept of operations is feasible. The operators were comfortable with the engineered system and HSI and could manage it without adverse impacts to reactor power, plant safety, or equipment. Findings are discussed in terms of both the TPD system design and HSI performance.

human factors↗
DOE OSTI2024

Relevance of anisotropy in the Kondo effect: Lessons from the symplectic case

A Kondo model with symplectic symmetry was recently put forward as the effective low-energy theory of a superconducting-island device coupled to multiple leads. This model, which possesses non-Fermi liquid physics and effective anyons, was argued to belong to the class of topological Kondo effects. Here, we clarify the extent of stability of its exotic fixed point using perturbative and numerical renormalization group in conjunction with bosonization and conformal field theory. In contrast to previous claims, we show that asymmetry in the coupling to the leads destabilizes the non-Fermi liquid. Other destabilizing perturbations include asymmetry in the superconducting pairing or internal energy of the individual quantum dots in the island. Nevertheless, these perturbations all generate the same relevant operators. Thus, only a small number of couplings need to be tuned individually, and these can be selected according to experimental convenience. Our results highlight a common misconception that anisotropy in single-channel Kondo couplings is always irrelevant. As demonstrated, relevant terms will emerge whenever the group generators do not span the full space of impurity operators. This calls for a more detailed inspection of models that exhibit this property, such as large-spin impurities and SO⁡( M ) Kondo models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Sockeye Heat Pipe Analysis Code Verification and Validation

Some of the most promising microreactor designs currently under development utilize heat pipe technology to transfer heat from the reactor core to the secondary side heat exchanger, due to the technology’s compactness, efficiency, passivity, and reliability. Sockeye is an engineering-scale heat pipe tool developed under the Nuclear Energy Advanced Modeling and Simulation Program to be used for the design and safety analysis of microreactors. Sockeye’s core capability lies in a 1D, two-phase, compressible flow model, used to simulate the working fluid inside the heat pipe. Sockeye is built on the Multiphysics Object-Oriented Simulation Environment framework, which allows for seamless multiphysics coupling with other Nuclear Energy Advanced Modeling and Simulation tools and can thus be used in a full-scale simulation of a microreactor assembly, which can include hundreds of heat pipes. This paper presents some initial verification and validation assessments performed for Sockeye. We demonstrate good agreement between Sockeye’s numerical results and steady-state analytic solutions for velocity and pressure drop, with differences attributable to the underlying assumptions made by the analytic solutions. We also show that Sockeye reproduces analytic predictions of key operational limits, such as the capillary limit and the sonic limit. Finally, we compare Sockeye results to experimental data for the SAFE-30 heat pipe module test.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Magnon-Magnon Interaction Induced by Dynamic Coupling in a Hybrid Magnonic Crystal

We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film separated by a 5 nm Al 2 O 3 spacer. Using Brillouin light scattering spectroscopy, we probe the frequency dependence of thermal spin waves as functions of applied magnetic field and wavevector, revealing the decisive role of interlayer dipolar coupling in the magnetization dynamics. Micromagnetic simulations complement the experiments, showing a strong interplay between ASI edge modes and backward volume modes in the NiFe film. The contrast in saturation magnetization between CoFeB and NiFe enhances this coupling, leading to a pronounced hybridization manifested as a triplet of peaks in the BLS spectra predicted by simulations and observed experimentally. This magnon−magnon coupling persists over a wide magnetic field range, shaping both the spin-wave dispersion at fixed fields and the full frequency-field response throughout the magnetic hysteresis loop. Our findings establish how ASI geometry can selectively enhance specific spin-wave wavelengths in the underlying film, thereby boosting their amplitude and identifying them as preferential channels for spin wave transmission and manipulation.

Brillouin light scattering spectroscopy↗
DOE OSTI2024

Machine Learning-Based Identification of the Interface Regions for Coupling Local and Nonlocal Models

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process can be challenging, requiring expertise to identify the interface between local and nonlocal regions. Here, this study introduces a machine learning-based approach to automatically detect the regions in which the local and nonlocal models should be used. The method uses loading functions evaluated at grid points to decide the model selection at those points. Training of the networks is based on datasets provided by classes of loading functions for which reference coupling configurations are computed using accurate coupled solutions, where accuracy is measured in terms of the relative error between the solution to the coupling approach and the solution to the nonlocal model. We study two approaches that vary in data structure. The first, the full-domain input data approach, uses the entire load vector and outputs a complete label vector, performing a global classification. The second, a window-based approach, processes loads into windows and addresses the problem as a node-wise classification where each window's central point is classified individually. The classification problems are solved via deep learning algorithms based on convolutional neural networks. The performance of these approaches is studied on one-dimensional numerical examples using F1-scores and accuracy metrics. Notably, the windowing approach achieves an accuracy of 0.96 and an F1-score of 0.97, highlighting its potential to automate coupling processes effectively and enhance computational efficiency in material science applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Adaptively coupled phase retrieval in multi-peak Bragg coherent diffraction imaging

Recent advances in Bragg coherent diffraction imaging (BCDI) experimental techniques permit routine measurement of multiple Bragg peaks from a single crystalline grain. The resulting images contain the full lattice distortion vector field which can be differentiated to provide lattice strain and rotation. With the advent of fourth-generation synchrotron light sources, such multi-peak datasets are produced at high rates, facilitating the need for rapid phase retrieval of the multiple peaks and subsequent image analysis. Here we describe and demonstrate a new implementation of a coupled phase retrieval technique for multi-peak BCDI which simultaneously treats each Bragg peak of the dataset and produces a three-dimensional image of the crystal's morphology and lattice distortion field. In addition, this method uses the redundant information contained in the various Bragg diffraction patterns to detect and suppress spurious signal appearing on the detector in a subset of the measurements. Compared with manual data editing, adaptive coupling produces a more consistent phase profile in reciprocal space and sharper surfaces in direct space, with no significant difference in computational cost. These improvements reduce the need for manual preprocessing and enable robust high-throughput analysis of multi-peak BCDI data, supporting near-real-time strain microscopy at modern synchrotron facilities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

BISON Robustness and Performance Improvements

BISON is a modern finite-element based nuclear fuel performance code that has been under development at the Idaho National Laboratory (USA) since 2009 [1]. The code is applicable to both steady and transient fuel behavior and can be used to analyze 1D (spherically symmetric), 2D (axisymmetric and generalized plane strain) or 3D geometries. BISON is the fuel performance code used within CASL for LWR fuel under both normal operating and accident conditions. BISON is built using the INL Multiphysics ObjectOriented Simulation Environment, or MOOSE [2, 3]. MOOSE is a massively parallel, finite element-based framework to solve systems of coupled non-linear partial differential equations using the Jacobian-Free Newton Krylov (JFNK) method [4]. This enables investigation of computationally large problems, for example a full stack of discrete pellets in a LWR fuel rod, or every rod in a full reactor core. MOOSE supports the use of complex two and three-dimensional meshes and uses implicit time integration, important for the widely varied time scale in nuclear fuel simulation. An object-oriented architecture is employed which greatly minimizes the programming effort required to add new material and behavioral models. The flexibility of the implicit and fully coupled multiphysics approach comes with a need for constructing suitable approximations for the Jacobian matrix of the coupled system used for either preconditioning a Krylov solve or in a direct Newton solve. Preconditioning options for Bison problems need to be revisited with new preconditioning methods becoming available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Core Characterization of Bakken Shale from the Bedwell 33-52-1-1H Well, Sheridan County, Montana

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core of the Bedwell 33-52-1-1H well (API 25-091-21920), a wildcat field in Sheridan County, Montana. The primary impetus of this work is to provide a unique dataset to researchers at universities, national laboratories, geological surveys, and other locations for additional analyses. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/bedwell-33-52-1-1h-well. The equipment and techniques used to characterize the full core were non-destructive, enabling future examinations and analyses to be performed on these cores. However, none of the equipment used was suitable for direct visualization of the pore space in fine-grained structures such as those found in shales; fractures, discontinuities, and millimeter scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. A selection of samples (Table 1) were cored, sliced, and powdered for additional characterization analyses. These analyses did involve destructive subsampling of the full core at discrete sections, and the results are presented here in the context of the larger core description. Selected sections of the core were removed from the full core for detailed analyses using the following destructive techniques: bulk inductively coupled plasma-optical emission spectroscopy (ICP-OES), isolation of carbon and sulfur, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and higher resolution CT scan with NETL’s micro-CT scanning systems. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2025

Modeling Offshore Wind Farm Performance in Coastal Low-Level Jets Using Coupled Mesoscale-Microscale Large Eddy Simulations

Accurately predicting wind farm reliability under complex offshore atmospheric conditions remains a key challenge, particularly during noncanonical meteorological events such as coastal low-level jets (LLJs). LLJs, characterized by strong nonmonotonic vertical shear and directional veer, depart significantly from the simplified inflow assumptions embedded in conventional design standards, low-fidelity engineering models, and microscale large eddy simulations of the atmospheric boundary layer. In this work, we use the virtual wind farm framework—an exascale, graphics processing unit–accelerated large eddy simulation platform coupled with high-fidelity aeroservoelastic turbine models and advanced mesoscale-microscale coupling via the ExaWind software stack—to investigate turbine responses under realistic LLJ forcing. Simulations are performed over the U.S. North Atlantic offshore domain with the use of meteorological inputs from New York State Energy Research and Development Authority buoy data, focusing on a representative LLJ case impacting the International Energy Agency 15 MW reference turbine. Our results show that LLJs can cause up to 50% power deficits in downstream turbine rows and significantly amplify low-speed shaft and tower loads through nonlinear coupling between complex inflow characteristics and turbine structural dynamics. Two primary mechanisms drive these load amplifications: (1) unique LLJ inflow features—including veer and vertical/lateral shear—and (2) the downstream evolution of the flow under stable thermal stratification, which suppresses turbulence mixing and alters wake recovery. These mechanisms produce streamwise variations in turbine loading not captured by standard hub height–based metrics or existing design load case (DLC) definitions. This study highlights the critical role of rotor-scale flow gradients in driving fatigue and system-level aeroelastic responses, challenging current DLC and control strategies. We advocate the integration of full-flow field, environment-aware wind inputs into load modeling and control algorithms. By leveraging exascale computing to resolve mesoscale-microscale coupling, this work lays the groundwork for next-generation offshore wind turbine design and operation in meteorologically complex marine environments.

17 WIND ENERGY↗
DOE OSTI2026

AMAROK: A Radio Frequency Development Platform for High-Power, Full-Scale Positive Ion Sources for DIII-D Neutral Beam Injectors

Next-generation neutral beam injection (NBI) systems demand RF ion sources capable of efficiently coupling >120 kW at 2–4-MHz frequencies, yet existing designs face voltage standoff and impedance-matching challenges. To address this, the advanced multicoil antenna for RF operations at kilowatts (AMAROK) was developed as a high-power RF inductively coupled plasma (ICP) source delivering up to 200 kW in the 2–4-MHz range via four phase-controlled generators for flexible power sharing. Two antenna designs—a single-strap multiturn (MT) and a multistrap single-turn (ST) design—were evaluated to optimize resonance, impedance matching, and power coupling across plasma loads. Here, a semi-analytical self-resonant frequency (SRF) model, validated experimentally, predicts resonance trends for arbitrary turn counts and tubing diameters, enabling rapid antenna optimization. Strap-to-strap mutual inductance in the ST configuration showed strong spatial dependence, guiding generator operation and total load inductance. These insights informed a custom π -topology matching network, achieving stable impedance matching over a wide range of plasma-driven loads. Collectively, these results position AMAROK as a versatile testbed for advancing high-power RF source technology in fusion NBI applications.

DIII-D↗
DOE OSTI2023

Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy

We apply Frenkel exciton theory to model the entire Q-band of a tightly bound chlorophyll dimer inspired by the photosynthetic reaction center of photosystem II. The potential of broadband two-dimensional electronic spectroscopy experiment spanning the Qx and Qy regions to extract the parameters of the model dimer Hamiltonian is examined through theoretical simulations of the experiment. We find that the local nature of Qx excitation enables identification of molecular properties of the delocalized Qy excitons. Specifically, we demonstrate that the cross-peak region, where excitation energy is resonant with Qy while detection is at Qx, contains specific spectral signatures that can reveal the full real-space molecular Hamiltonian, a task that is impossible by considering the Qy transitions alone. System–bath coupling and site energy disorder in realistic systems may limit the resolution of these spectral signatures due to spectral congestion.

Chemistry↗
DOE OSTI2021

Neutral beam prompt loss in LTX-β

Prompt loss of beam injected fast ions approaches 100% in lithium tokamak experiment-beta (LTX-β) discharges, though significantly improved confinement is expected for the higher current plasmas made available by a recent upgrade to the Ohmic heating power supply. Modeling of fast ions using TRANSP/NUBEAM finds a maximum coupled beam fraction of 76% at the near-term limits of the LTX-β operating space. The full ion orbit code POET is employed to validate NUBEAM results against possible non-adiabatic effects on fast ion orbits, but corrections to the prompt loss fraction due to collisionless transport are found to be small. The graphical method code CONBEAM is used to investigate the topology of fast ion phase space as it relates to neutral beam deposition, and counter-injected NBI is considered as a way to access a region of high field side beam deposition. A metric is developed within the CONBEAM using a beam filament model to estimate the prompt loss fraction and shown to agree well with both POET and NUBEAM, enabling near real-time analysis and potential feedback to operators between plasma discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Spectral broadening from turbulence in multiscale lower hybrid current drive simulations

Abstract The scattering of lower hybrid (LH) waves due to scrape-off layer filaments is investigated. It is revealed that scattering can account for the LH spectral gap without any ad hoc modification to the wave-spectrum. This is shown using a multiscale simulation approach which allows, for the first time, the inclusion of full-wave scattering physics in ray-tracing/Fokker–Planck calculations. In this approach, full-wave scattering probabilities are calculated for a wave interacting with a statistical ensemble of filaments. These probabilities are coupled to ray-tracing equations using radiative transfer theory. This allows the modeling of scattering along the entire ray-trajectory, which can be important in the multi-pass regime. Simulations are conducted for LH current drive (LHCD) in Alcator C-Mod, resulting in excellent agreement with experimental current and hard x-ray profiles. A region in filament parameter space is identified in which the impact of scattering on LHCD is saturated. Such a state coincides with experimental LHCD measurements, suggesting saturation indeed occurs in C-Mod, and therefore the exact statistical properties of the filaments are not important.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

From hydrogen to helium: the spectral evolution of white dwarfs as evidence for convective mixing

ABSTRACT We present a study of the hypothesis that white dwarfs undergo a spectral change from hydrogen- to helium-dominated atmospheres using a volume-limited photometric sample drawn from the Gaia-DR2 catalogue, the Sloan Digital Sky Survey (SDSS), and the Galaxy Evolution Explorer (GALEX). We exploit the strength of the Balmer jump in hydrogen-atmosphere DA white dwarfs to separate them from helium-dominated objects in SDSS colour space. Across the effective temperature range from 20 000 to 9000 K, we find that 22 per cent of white dwarfs will undergo a spectral change, with no spectral evolution being ruled out at 5σ. The most likely explanation is that the increase in He-rich objects is caused by the convective mixing of DA stars with thin hydrogen layers, in which helium is dredged up from deeper layers by a surface hydrogen convection zone. The rate of change in the fraction of He-rich objects as a function of temperature, coupled with a recent grid of 3D radiation-hydrodynamic simulations of convective DA white dwarfs – which include the full overshoot region – lead to a discussion on the distribution of total hydrogen mass in white dwarfs. We find that 60 per cent of white dwarfs must have a hydrogen mass larger than MH/MWD = 10−10, another 25 per cent have masses in the range MH/MWD = 10−14–10−10, and 15 per cent have less hydrogen than MH/MWD = 10−14. These results have implications for white dwarf asteroseismology, stellar evolution through the asymptotic giant branch and accretion of planetesimals on to white dwarfs.

Cunningham, Tim↗
DOE OSTI2024

HHH whitepaper

Abstract We here report on the progress of the HHH Workshop, that took place in Dubrovnik in July 2023. After the discovery of a particle that complies with the properties of the Higgs boson of the Standard Model, all Standard Model (SM) parameters are in principle determined. However, in order to verify or falsify the model, the full form of the potential has to be determined. This includes the measurement of the triple and quartic scalar couplings. We here report on ongoing progress of measurements for multi-scalar final states, with an emphasis on three SM-like scalar bosons at 125$$\,\text {Ge}\hspace{-.08em}\text {V}$$ Ge V , but also mentioning other options. We discuss both experimental progress and challenges as well as theoretical studies and models that can enhance such rates with respect to the SM predictions.

Physics↗
DOE OSTI2021

Clifford Circuit Optimization with Templates and Symbolic Pauli Gates

The Clifford group is a finite subgroup of the unitary group generated by the Hadamard, the CNOT, and the Phase gates. This group plays a prominent role in quantum error correction, randomized benchmarking protocols, and the study of entanglement. Here we consider the problem of finding a short quantum circuit implementing a given Clifford group element. Our methods aim to minimize the entangling gate count assuming all-to-all qubit connectivity. First, we consider circuit optimization based on template matching and design Clifford-specific templates that leverage the ability to factor out Pauli and SWAP gates. Second, we introduce a symbolic peephole optimization method. It works by projecting the full circuit onto a small subset of qubits and optimally recompiling the projected subcircuit via dynamic programming. CNOT gates coupling the chosen subset of qubits with the remaining qubits are expressed using symbolic Pauli gates. Software implementation of these methods finds circuits that are only 0.2% away from optimal for 6 qubits and reduces the two-qubit gate count in circuits with up to 64 qubits by 64.7% on average, compared with the Aaronson-Gottesman canonical form.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗