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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 145 records · Page 8

Multi-fidelity modeling to predict the rheological properties of a suspension of fibers using neural networks and Gaussian processes

Unveiling the rheological properties of fiber suspensions is of paramount interest to many industrial applications. There are multiple factors, such as fiber aspect ratio and volume fraction, that play a significant role in altering the rheological behavior of suspensions. Three-dimensional (3D) numerical simulations of coupled differential equations of the suspension of fibers are computationally expensive and time-consuming. Machine learning algorithms can be trained on the available data and make predictions for the cases where no numerical data are available. However, some widely used machine learning surrogates, such as neural networks, require a relatively large training dataset to produce accurate predictions. Multi-fidelity models, which combine high-fidelity data from numerical simulations and less expensive lower fidelity data from resources such as simplified constitutive equations, can pave the way for more accurate predictions. Here, we focus on neural networks and the Gaussian processes with two levels of fidelity, i.e., high and low fidelity networks, to predict the steady-state rheological properties, and compare them to the single-fidelity network. High-fidelity data are obtained from direct numerical simulations based on an immersed boundary method to couple the fluid and solid motion. The low-fidelity data are produced by using constitutive equations. Multiple neural networks and the Gaussian process structures are used for the hyperparameter tuning purpose. Results indicate that with the best choice of hyperparameters, both the multi-fidelity Gaussian processes and neural networks are capable of making predictions with a high level of accuracy with neural networks demonstrating marginally better performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Benchmarking Quantum Simulators Using Ergodic Quantum Dynamics

Here we propose and analyze a sample-efficient protocol to estimate the fidelity between an experimentally prepared state and an ideal target state, applicable to a wide class of analog quantum simulators without advanced spatiotemporal control. Our protocol relies on universal fluctuations emerging from generic Hamiltonian dynamics, which we discover in the present work. It does not require fine-tuned control over state preparation, quantum evolution, or readout capability, while achieving near optimal sample complexity: a percent-level precision is obtained with ~103 measurements, independent of system size. Furthermore, the accuracy of our fidelity estimation improves exponentially with increasing system size. We numerically demonstrate our protocol in a variety of quantum simulator platforms, including quantum gas microscopes, trapped ions, and Rydberg atom arrays. We discuss applications of our method for tasks such as multiparameter estimation of quantum states and processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical simulations of noisy quantum circuits for computational chemistry

The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the behavior of these noisy quantum circuits using numerical simulations to estimate the accuracy and fidelity of the prepared quantum states relative to the ground truth obtained by conventional means. We implement several different types of ansatz circuits derived from unitary coupled cluster theory for the purposes of estimating the ground-state energy of sodium hydride using the variational quantum eigensolver algorithm. We show how relative error in the energy and the fidelity scale with the levels of gate-based noise, the internuclear configuration, the ansatz circuit depth, and the parameter optimization methods.

36 MATERIALS SCIENCE↗

High-fidelity simultaneous detection of a trapped-ion qubit register

Qubit state detection is an important part of a quantum computation. As number of qubits in a quantum register increases, it is necessary to maintain high fidelity detection to accurately measure the multi-qubit state. Here we present experimental demonstration of high-fidelity detection of a multi-qubit trapped ion register with average single qubit detection error of 4.2(1.5) ppm and a 4-qubit state detection error of 17(2) ppm, limited by the decay lifetime of the qubit, using a novel single-photon-sensitive camera with fast data collection, excellent temporal and spatial resolution, and low instrumental crosstalk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optical quantum nondemolition measurement of a single rare earth ion qubit

Optically-interfaced spins in the solid state are a promising platform for quantum technologies. A crucial component of these systems is high-fidelity, projective measurement of the spin state. Here, we demonstrate single-shot spin readout of a single rare earth ion qubit, Er3+, which is attractive for its telecom-wavelength optical transition and compatibility with silicon nanophotonic circuits. In previous work with laser-cooled atoms and ions, and solidstate defects, spin readout is accomplished using fluorescence on an optical cycling transition; however, Er3+ and other rare earth ions generally lack strong cycling transitions. We demonstrate that modifying the electromagnetic environment around the ion can increase the strength and cyclicity of the optical transition by several orders of magnitude, enabling single-shot quantum nondemolition readout of the ion’s spin with 94.6% fidelity. We use this readout to probe coherent dynamics and relaxation of the spin.

42 ENGINEERING↗

Accelerating accurate simulations of calorimeter showers with normalizing flows and probability density distillation

Recently, we introduced caloflow, a high-fidelity generative model for GEANT4 calorimeter shower emulation based on normalizing flows. Here, we present caloflow v2, an improvement on our original framework that speeds up shower generation by a further factor of 500 relative to the original. The improvement is based on a technique called probability density distillation, originally developed for speech synthesis in the machine learning literature, and which we develop further by introducing a set of powerful new loss terms. We demonstrate that caloflow v2 preserves the same high fidelity as the original using qualitative (average images, histograms of high-level features) and quantitative (classifier metric between geant4 and generated samples) measures. The result is a generative model for calorimeter showers that matches the state of the art in speed (a factor of 10 4 faster than GEANT4) and greatly surpasses the previous state of the art in fidelity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Benchmarking and Fidelity Response Theory of High-Fidelity Rydberg Entangling Gates

The fidelity of entangling operations is a key figure of merit in quantum information processing, especially in the context of quantum error correction. High-fidelity entangling gates in neutral atoms have seen remarkable advancement recently. A full understanding of error sources and their respective contributions to gate infidelity will enable the prediction of fundamental limits on quantum gates in neutral atom platforms with realistic experimental constraints. In this work, we implement the time-optimal Rydberg controlled-Z (CZ) gate, design a circuit to benchmark its fidelity, and achieve a fidelity, averaged over symmetric input states, of 0.9971 ( 5 ) , downward corrected for leakage error, which together with our recent work [Nature 634, 321–327 (2024)] forms a new state of the art for neutral atoms. The remaining infidelity is explained by an error model, consistent with our experimental results over a range of gate speeds, with varying contributions from different error sources. Further, we develop a fidelity response theory to efficiently predict infidelity from laser noise with nontrivial power spectral densities and derive scaling laws of infidelity with gate speed. Besides its capability of predicting gate fidelity, we also utilize the fidelity response theory to compare and optimize gate protocols, to learn laser frequency noise, and to study the noise response for quantum simulation tasks. Finally, we predict that a CZ gate fidelity of ≳ 0.999 is feasible with realistic experimental upgrades. Published by the American Physical Society 2025

Tsai, Richard Bing-Shiun (ORCID:0000000286758677)↗

EEL: A MOOSE-based Application for 3D Electro-Chemo-Thermo-Mechanical Modeling of Solid-State Batteries

This report describes a tool for three dimensional, high fidelity, coupled electro-chemo-thermo-mechanical modeling of solid-state batteries. A complete version of the tool is available as open source software at https://github.com/hugary1995/eel.git. The theoretical framework of the tool revolves around an inf-sup statement on a total potential, comprising the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. The tool uses the finite element framework of Multiphysics Object-Oriented Simulation Environment (MOOSE) and a variational formulation to solve the boundary value problem for solid-state battery incorporating the full set of multiphysics couplings. The variational formulation also enables a modular software architecture for the tool so additional physics can be easily included by specifying the new contribution to the total potential. The report discusses several method of manufactured solutions that were used to verify the implementation of different physics and the Butler-Volmer reaction kinetics at the electrolyte-electrode interface. Finally, the report discusses results from complete charge/discharge simulations of a quasi-1D and a 3D solid-state battery.

25 ENERGY STORAGE↗

Using intrusive approaches as a step towards accounting for stochasticity in wind turbine design

Current wind turbine design methods require tens of thousands of time-domain simulations and use different random seeds to account for the stochasticity of the environmental conditions. The account of stochasticity is nonintrusive because the sampling method calls a deterministic model multiple times without changing its underlying equations. In this work, we investigate and demonstrate using simple proof of concepts how intrusive approaches can be used to directly account for stochasticity in the equations representing a mechanical system. Our long term goal is to apply such methodology to the design of wind turbines without requiring an excessive number of simulations. Intrusive methods manipulate stochastic variables directly to provide the probability density functions (PDFs) of the states and outputs at any time as functions of the PDFs of the inputs. We illustrate how different methods can be used with a reduced-order model of a wind turbine with one degree of freedom and for linear and nonlinear models. We discuss how the methods can be extended and what it will take to apply them to a level of fidelity similar to current state-of-the-art wind turbine design tools.

17 WIND ENERGY↗

Tomography of entangling two-qubit logic operations in exchange-coupled donor electron spin qubits

Scalable quantum processors require high-fidelity universal quantum logic operations in a manufacturable physical platform. Donors in silicon provide atomic size, excellent quantum coherence and compatibility with standard semiconductor processing, but no entanglement between donor-bound electron spins has been demonstrated to date. Here we present the experimental demonstration and tomography of universal one- and two-qubit gates in a system of two weakly exchange-coupled electrons, bound to single phosphorus donors introduced in silicon by ion implantation. We observe that the exchange interaction has no effect on the qubit coherence. We quantify the fidelity of the quantum operations using gate set tomography (GST), and we use the universal gate set to create entangled Bell states of the electrons spins, with fidelity 91.3 ± 3.0%, and concurrence 0.87 ± 0.05. These results form the necessary basis for scaling up donor-based quantum computers.

42 ENGINEERING↗

Microwave-Based Quantum Control and Coherence Protection of Tin-Vacancy Spin Qubits in a Strain-Tuned Diamond-Membrane Heterostructure

Robust spin-photon interfaces in solids are essential components in quantum networking and sensing technologies. Ideally, these interfaces combine a long-lived spin memory, coherent optical transitions, fast and high-fidelity spin manipulation, and straightforward device integration and scaling. The tin- vacancy center (SnV) in diamond is a promising spin-photon interface with desirable optical and spin properties at 1.7 K. However, the SnV spin lacks efficient microwave control, and its spin coherence degrades with higher temperature. In this work, we introduce a new platform that overcomes these challenges—SnV centers in uniformly strained thin diamond membranes. The controlled generation of crystal strain introduces orbital mixing that allows microwave control of the spin state with 99.36(9)% gate fidelity and spin coherence protection beyond a millisecond. Moreover, the presence of crystal strain suppresses temperature-dependent dephasing processes, leading to a considerable improvement of the coherence time up to 223(10) μs at 4 K, a widely accessible temperature in common cryogenic systems. Critically, the coherence of optical transitions is unaffected by the elevated temperature, exhibiting nearly lifetime-limited optical linewidths. Combined with the compatibility of diamond membranes with device integration, the demonstrated platform is an ideal spin-photon interface for future quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

eMosaic: Electrification Mosaic Platform for Grid Informed Smart Charging Management (Final Scientific/Technical Report)

ABB (Prime Contractor), in collaboration with its partners at the Utah State University (USU), Idaho National Laboratory, Rocky Mountain Power (RMP), and Electric Power Engineers (EPE), have performed research, development, and wide scale demonstration of a scalable and resilient Electrification Mosaic (eMosaic) platform for Smart Charge Management (SCM) for Electric Vehicle Infrastructure. Work was completed under DE EE0009194, titled “eMosaic Electrification Mosaic Platform for Grid Informed Smart Charging Management”, funded by the US Department of Energy. The project members developed algorithms that provide localized and bulk grid services and that reduce and stabilize costs all the way down the supply chain to the PEV owner through SCM. This platform aggregates telemetry from multiple data sources as pieces of the larger picture including personal, private fleet or transportation EVs, fast chargers and other supply equipment, weather service information, and geographically distributed charging sites such as public lots, garage and retail, and private or shared usage depots. ABB and the project team designed, tested, and improved a charging management system at local/edge and cloud levels. The ultimate objective of the project was to convincingly demonstrate that the developed secure eMosaic plat-form can be readily and favorably adopted by diverse utilities and site owners at scale. This was achieved through a demonstration plan with field deployment at several physical sites across 4 states and additional scalable simulation from high fidelity charging models.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Machine learning for arbitrary single-qubit rotations on an embedded device

Here, in this study, we present a technique for using machine learning (ML) for single-qubit gate synthesis on field-programmable logic for a superconducting transmon-based quantum computer based on simulated studies. Our approach is multi-stage. We first “bootstrap” a model based on simulation with access to the full state vector for measuring gate fidelity. We next present an algorithm, named adapted randomized benchmarking (ARB), for fine-tuning the gate on hardware based on measurements of the devices. We also present techniques for deploying the model on programmable devices with care to reduce the required resources. While the techniques here are applied to a transmon-based computer, many of them are portable to other architectures.

97 MATHEMATICS AND COMPUTING↗

LUNA: LUT-Based Neural Architecture for Fast and Low-Cost Qubit Readout

Qubit readout is a critical operation in quantum computing systems, which maps the analog response of qubits into discrete classical states. Deep neural networks (DNNs) have recently emerged as a promising solution to improve readout accuracy . Prior hardware implementations of DNN-based readout are resource-intensive and suffer from high inference latency, limiting their practical use in low-latency decoding and quantum error correction (QEC) loops. This paper proposes LUNA, a fast and efficient superconducting qubit readout accelerator that combines low-cost integrator-based preprocessing with Look-Up Table (LUT) based neural networks for classification. The architecture uses simple integrators for dimensionality reduction with minimal hardware overhead, and employs LogicNets (DNNs synthesized into LUT logic) to drastically reduce resource usage while enabling ultra-low-latency inference. We integrate this with a differential evolution based exploration and optimization framework to identify high-quality design points. Our results show up to a 10.95x reduction in area and 30% lower latency with little to no loss in fidelity compared to the state-of-the-art. LUNA enables scalable, low-footprint, and high-speed qubit readout, supporting the development of larger and more reliable quantum computing systems.

Farooq, M. A. [Arizona State U., Tempe]↗

Circadian clock control of ribosome composition promotes rhythmic translation and termination fidelity

Ribosome composition is dynamic, shifting with cell state and stress, but whether it varies with circadian time is unknown. Here, we uncover circadian clock-driven changes in ribosome composition in Neurospora crassa . Mass spectrometry of ribosomes across circadian time identified six ribosomal proteins and one associated factor under clock control. Rhythms in eL31 abundance were validated in purified ribosomes, and deletion of el31 disrupted translation rhythms in nearly half of rhythmically translated mRNAs. N. crassa eL31 promotes circadian control of translation termination and impacts elongation fidelity while maintaining Mg homeostasis, a key determinant of translational accuracy. These findings reveal that the circadian clock reprograms ribosome composition to orchestrate rhythmic translation and fidelity, temporally expanding the proteome beyond the static genome to align cellular function with time of day.

circadian clock↗

High-fidelity wind farm simulation methodology with experimental validation

The complexity and associated uncertainties involved with atmospheric-turbine-wake interactions produce challenges for accurate wind farm predictions of generator power and other important quantities of interest (QoIs), even with state-of-the-art high-fidelity atmospheric and turbine models. A comprehensive computational study was undertaken with consideration of simulation methodology, parameter selection, and mesh refinement on atmospheric, turbine, and wake QoIs to identify capability gaps in the validation process. For neutral atmospheric boundary layer conditions, the massively parallel large eddy simulation (LES) code Nalu-Wind was used to produce high-fidelity computations for experimental validation using high-quality meteorological, turbine, and wake measurement data collected at the Department of Energy/Sandia National Laboratories Scaled Wind Farm Technology (SWiFT) facility located at Texas Tech University’s National Wind Institute. The wake analysis showed the simulated lidar model implemented in Nalu-Wind was successful at capturing wake profile trends observed in the experimental lidar data.

17 WIND ENERGY↗

A Three-Dimensional, Thermodynamically and Variationally Consistent, Fully Coupled, Electro-Chemo-Thermo-Mechanical Model of Solid-State Batteries

Here we present a theoretical framework for high fidelity modeling of three-dimensional electro-chemo-thermo-mechanical coupled systems such as solid-state batteries. The framework provides a useful means of utilizing molecular level information to predict the overall performance of the system at the continuum level. The central statement of the theoretical framework is a thermodynamically consistent inf-sup problem. The total potential of the coupled system consists of the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. All governing equations derive from variational principles. We also show that the resulting initial-boundary-value problem (IBVP) is consistent with existing, widely adopted equations for modeling batteries. Moreover, the IBVP can be naturally discretized using the (variational) finite element method to simulate practical solid-state batteries with arbitrary geometries. Several examples illustrate multiphysics coupling between pairs of the physical field equations, culminating in a comprehensive three-dimensional model of charge-discharge in a solid state battery.

25 ENERGY STORAGE↗

Bell-State Bootstrapping via Spot-Checking

We present a spot-checking method to monitor and mitigate errors in imperfect entangled photon sources from semi-trusted third parties. We demonstrate that our method effectively mitigates polarization drifts and yields high-fidelity polarization-entangled Bell-state generation.

Zhang, Yanbao [ORNL] (ORCID:0000000245530561)↗