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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Implementing nonlinear optics from Off-Energy closed orbit at NSLS-II

To characterize the second-order (chromatic sextupole) magnet lattice with high precision, we implemented nonlinear optics from off-energy closed orbit (NOECO) tool based on the linear optics from closed orbit modulation (LOCOM) method, named LOCOM-NOECO. The preliminary numerical study indicates that 1–2% precision can be achieved for the calibration of chromatic sextupoles. Further, this accuracy could potentially help in resolving some long-standing challenges of NSLS-II (e.g., the discrepancy between the designed and measured dynamic apertures) if such high precision can be fulfilled. As an independent crosscheck, we also implemented NOECO based on the independent component analysis (ICA) method using turn-by-turn (TBT) BPM data, named ICA-NOECO. Both ICA-NOECO and LOCOM-NOECO have been successfully applied to identify the pre-dialed random errors of a chromatic sextupole family including five power supplies, and achieved the root mean square (RMS) residual error of 1% and peak error less than 2%. Moreover, to mitigate the chromatic sextupole error effect, we applied the correction and achieved significant improvements in the injection efficiency as well as the dynamic apertures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

237 Np Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic Electron Correlation in Heavy Element Complexes

A large set of neptunium compounds with different oxidation states (III to VII) was assembled to study the Mössbauer isomer shift by wave function calculations and better understand covalency in f-elements complexes. The contact density approach was used to calculate the isomer shift using complete active space self-consistent field (CASSCF) multiconfiguration wave functions, as well as matrix product states [from Density Matrix Renormalization Group (DMRG) algorithms] for large active spaces. Dynamic correlation effects for the isomer shifts were treated via CASPT2 energy derivatives with respect to the nuclear radius. The CASSCF calculations appear to produce different orbital overlocalization errors for low and high Np oxidation states. For compounds with low Np oxidation numbers, the errors can be attributed to the overlocalization of the 5f orbitals. For the compounds with high Np oxidation numbers, the main errors arise from an overlocalization of ligand orbitals and concomitant to weak donation bonding. Attempts to mitigate the overlocalization errors with large active spaces using DMRG were only partially successful, showing that explicit treatment of dynamic correlation is necessary for accurate predictions of Mössbauer isomer shifts. The CASPT2 calculations perform very satisfactorily. For a subset of Np compounds, both static and dynamic correlation effects were substantial. Furthermore, a rational active space selection based on orbital entanglement diagrams proved beneficial for determining the optimal reference wave function.

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

A Novel Simulation-Based Framework for Sensor Error Impact Analysis in Smart Building Systems: A Case Study for a Demand-Controlled Ventilation System

Sensors are one of the fundamental components for sensor-rich controls in buildings but are prone to different errors. Existing studies show that sensor errors hold a place among top-priority faults in building systems. Before we take countermeasures to mitigate the sensor errors, it is vital to prioritize key sensors and quantify the collective impacts of concurrent sensor errors. In response to this, a simulation-based methodology is introduced to conduct a comprehensive sensor error impact analysis in building systems, which adds a stochastic sensor prioritization through a sensitivity analysis on top of a commonly used deterministic sensor error quantification. The synergies of these two parts help better interpret the sensor error impacts on building energy consumption, ventilation performance, thermal comfort, etc. A sensor-rich CO2-based Demand-Controlled Ventilation system is used as a case study to demonstrate the viability of the methodology as a proof-of-the-concept. The results show that the energy savings potential and ventilation performance are mostly influenced by the accuracy of the AHU outdoor airflow sensors. The accuracy of zone level airflow sensors has a negligible impact on both energy savings and ventilation performance. The accuracy of zone CO2 sensors has more influence on the ventilation performance compared with the accuracy of zone airflow sensors. Compared with the baseline case with zero errors, the largest deviation percentages could reach 16.90% and 94.32%, respectively, in terms of the Heating, Ventilation, and Air-Conditioning (HVAC) annual energy consumption and the Outdoor Air Ratio (OAR) when multiple key sensors suffer from normal error intensities simultaneously.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

A robust dynamic state estimation approach against model errors caused by load changes

Dynamic state estimation (DSE) plays an important role in power system security monitoring and online control. In practice, there are two approaches to implementing DSE. The first approach is distributed DSE, which is based on the assumption that the terminal bus of each generator can be measured by PMUs (phasor measurement units). The assumption cannot be satisfied currently, however, because PMUs usually are installed at important high-voltage buses such as 500-kV buses installed in portions of the grid overseen by the Western Electricity Coordinating Council. Another issue of this approach is that performance of DSE is vulnerable to bad measurement data. The reason for this vulnerability is that DSE is performed separately through measurements at each terminal bus, and measurements at terminal buses are the only measurement upon which DSE can rely. Therefore, important redundant measurements are not included in this approach. The second approach is centralized DSE. This approach does not have the requirement for PMU location, and redundant measurements can be considered fully. However, load changes and grid topology changes impact centralized DSE. In this paper, we propose a new approach for handling the impact of load changes on DSE. We have developed a new algorithm that includes two sequential steps. In the first step, errors caused by load changes are detected by analyzing the difference between prediction results and measured results. In the second step, once model error is detected, a model optimization procedure is run to correct the error so the state estimation error can be mitigated. Simulation results from the IEEE 68 bus system show that the proposed approach can effectively handle model errors caused by load changes.

robust dynamic state estimation, load change, powe↗
DOE OSTI2023

High-speed Focal Plane Wave Front Sensing with an Optical Chopper

Focal plane wave front sensing and control is a critical approach to reducing noncommon path errors between a conventional astronomical adaptive optics (AO) wave front sensor (WFS) detector and a science camera. However, in addition to mitigating noncommon path errors, recent focal plane wave front sensing techniques have been developed to operate at speeds fast enough to enable "multi-WFS" AO, where residual atmospheric errors are further corrected by a focal plane WFS. Although a number of such techniques have been recently developed for coronagraphic imaging, here we present one designed for noncoronagraphic imaging. Utilizing conventional AO system components, this concept additionally requires (1) a detector imaging the focal plane of the WFS light source and (2) a pupil plane optical chopper device that is the noncommon path to the first WFS and is synchronized to the focal plane imager readout. These minimal hardware requirements enable the temporal amplitude modulation to resolve the sine ambiguity of even wave-front modes for low, mid, and high wave front spatial frequencies. Similar capabilities have been demonstrated with classical phase diversity by defocusing the detector, but such techniques are incompatible with simultaneous science observations. This optical chopping technique, however, enables science imaging at up to 50% duty cycle. In conclusion, we present both simulations and laboratory validation of this concept on SEAL, the Santa Cruz Extreme AO Laboratory testbed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Crosstalk-robust quantum control in multimode bosonic systems

High-coherence superconducting cavities offer a hardware-efficient platform for quantum information processing. To achieve universal operations of these bosonic modes, the requisite nonlinearity is realized by coupling them to a transmon ancilla. However, this configuration is susceptible to crosstalk errors in the dispersive regime, where the ancilla frequency is Stark shifted by the state of each coupled bosonic mode. This leads to a frequency mismatch of the ancilla drive, lowering the gate fidelities. To mitigate such coherent errors, we employ quantum optimal control to engineer ancilla pulses that are robust to the frequency shifts. These optimized pulses are subsequently integrated into a recently developed echoed conditional displacement protocol for executing single- and two-mode operations. Through numerical simulations, we examine two representative scenarios: the preparation of single-mode Fock states in the presence of spectator modes and the generation of two-mode entangled Bell-cat states. Our approach markedly suppresses crosstalk errors, outperforming conventional ancilla control methods by orders of magnitude. These results provide guidance for experimentally achieving high-fidelity multimode operations and pave the way for developing high-performance bosonic quantum information processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A Polynomial-Time Classical Algorithm for Noisy Quantum Circuits

We provide a polynomial-time classical algorithm for noisy quantum circuits. The algorithm computes the expectation value of any observable for any circuit, with a small average error over input states drawn from an ensemble (e.g., the computational basis). Our approach is based upon the intuition that noise exponentially damps nonlocal correlations relative to local correlations. This enables one to classically simulate a noisy quantum circuit by keeping track of only the dynamics of local quantum information. Our algorithm also enables sampling from the output distribution of a circuit in quasipolynomial time, so long as the distribution anticoncentrates. A number of implications are discussed, including a fundamental limit on the efficacy of noise mitigation strategies: For constant noise rates, any quantum circuit for which error mitigation succeeds in polynomial-time on most input states can also be classically simulated in polynomial-time on most input states. Our algorithms scale exponentially in the inverse noise rate, which is fundamental and makes them impractical for current quantum devices.

decoherence↗
DOE OSTI2025

Dephasing and error dynamics affecting a singlet-triplet qubit during coherent spin shuttling

Quantum information transport over micron to millimeter scale distances is critical for the operation of practical quantum processors based on spin qubits. One method of achieving a long-range interaction is by coherent electron spin shuttling through an array of silicon quantum dots. In order to execute many shuttling operations with high fidelity, it is essential to understand the dynamics of qubit dephasing and relaxation during the shuttling process in order to mitigate them. However, errors arising after many repeated shuttles are not yet well documented. Here, we probe decay dynamics contributing to dephasing and relaxation of a singlet-triplet qubit during coherent spin shuttling over many N repeated shuttle operations, in a small external magnetic field B 0 ≈ 0−10 mT, and in the absence of a micromagnet. We find that losses are dominated by magnetic dephasing, most visible for small N < 10 3 . However, incoherent spin-flip type shuttle errors become evident for large N > 10 3 . Additionally, we estimate shuttle error rates below 10 −4 out to at least N = 10 3 , representing an encouraging figure for future implementations of spin shuttling to entangle distant qubits.

quantum dots↗
DOE OSTI2026

Resilience of the surface code to error bursts

Quantum error correction works effectively only if the error rate of gate operations is sufficiently low. However, some rare physical mechanisms can cause a temporary increase in the error rate that affects many qubits; examples include ionizing radiation in superconducting hardware and large deviations in the global control of atomic systems. We refer to such rare transient spikes in the gate error rate as error bursts. In this work, we investigate the resilience of the rotated surface code to generic error bursts. We assume that, after appropriate mitigation strategies, the spike in the error rate lasts for only a single syndrome-extraction cycle; we also assume that the enhanced error rate is uniform across the code block. Under these assumptions, and for a circuit-level depolarizing noise model, we perform Monte Carlo simulations to determine the regime in burst error rate and background error rate for which the memory time becomes arbitrarily long as the code block size grows. Our results indicate that suitable hardware mitigation methods combined with standard decoding methods may suffice to protect against transient error bursts in the rotated surface code.

Quantum error correction↗
DOE OSTI2020

An Eulerian multimaterial framework for simulating high-explosive aquarium tests

Aquarium tests of cylindrical high-explosive charges provide optical data of the detonation front velocity and shape, propagation of the shock wave in the surrounding water, and expansion rates of the detonation products behind the front. Data from aquarium experiments is often used for calibration of reactive burn models based on phenomenological equations of state (EOS) and reaction rate laws. This paper presents a multimaterial numerical modeling framework to solve the 2D axisymmetric reactive Euler equations for high-explosive aquarium tests, in particular for ammonium nitrate - fuel oil (ANFO) explosives. An extension of the Ghost Fluid Method (GFM) is used to handle the dynamic material interfaces for the ANFO explosion products, the charge-confining material (polymethyl methacrylate PMMA), and the surrounding water. This study analyzes the sensitivity of calculations (both computational efficiency and numerical accuracy) to different algorithms for the material interface models including the original GFM versus Riemann solver-based strategies. A novel method for defining the left and right states in the interfacial Riemann problem eliminates the need for sorting or nodal interpolation during the projection along the material interface. Numerical tests indicate that populating the interface node values using the Riemann solution mitigate the overheating error observed in steady-state calculations. Solution convergence and computational efficiency are explored as a function of the spatial and temporal order of the schemes. Results from the computational model with analytical equations of state and fitted reaction rate parameters show very good quantitative agreement with experimentally observed detonation front velocity, reaction products expansion, and shock wave propagation in the surrounding water for a cylindrical ANFO charge encased in PMMA. Finally, the proposed modeling framework, in conjunction with experimental tests, provides a reliable tool to assess equations of state and reaction rate expressions for reactive burn models of confined high explosives.

42 ENGINEERING↗
DOE OSTI2022

Enhanced physics-constrained deep neural networks for modeling vanadium redox flow battery

Numerical simulation has become indispensable in advancing cost-effective process optimization and control of flow batteries. We propose an enhanced version of the physics-constrained deep neural network (PCDNN) approach to provide high-accuracy voltage predictions in the vanadium redox flow batteries (VRFBs). The purpose of the PCDNN approach is to enforce the physics-based zero-dimensional (0D) VRFB model in a neural network to assure model generalization for various battery operation conditions. However, limited by the simplifications of the 0D model, the PCDNN cannot capture sharp voltage changes in the extreme SOC regions. To improve the accuracy of voltage prediction at extreme ranges, we introduce a second (enhanced) DNN to mitigate the prediction errors carried from the 0D model itself and call the resulting approach enhanced PCDNN (ePCDNN). By comparing with experimental data, we demonstrate that the ePCDNN approach can accurately capture the voltage response throughout the charge–discharge cycle, including the tail region of the voltage discharge curve. The loss function for training the ePCDNN is designed to be flexible by adjusting the weights of the physics-constrained DNN and the enhanced DNN. In conclusion, this allows the ePCDNN framework to be transferable to battery systems with variable physical model fidelity.

25 ENERGY STORAGE↗
DOE OSTI2022

Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise

Abstract Quantum computing has the potential to revolutionize computing, but its significant sensitivity to noise requires sophisticated error correction and mitigation. Traditionally, noise on the quantum device is characterized directly through qubit and gate measurements, but this approach has drawbacks in that it does not adequately capture the effect of noise on realistic multi-qubit applications. In this paper, we simulate the relaxation of stationary quantum states on a quantum computer to obtain a unique spectroscopic fingerprint of the computer’s noise. In contrast to traditional approaches, we obtain the frequency profile of the noise as it is experienced by the simulated stationary quantum states. Data from multiple superconducting-qubit IBM processors show that noise generates a bath within the simulation that exhibits both colored noise and non-Markovian behavior. Our results provide a direction for noise mitigation but also suggest how to use noise for quantum simulations of open systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Solving the Hele–Shaw flow using the Harrow–Hassidim–Lloyd algorithm on superconducting devices: A study of efficiency and challenges

The development of quantum processors for practical fluid flow problems is a promising yet distant goal. Recent advances in quantum linear solvers have highlighted their potential for classical fluid dynamics. In this study, we evaluate the Harrow–Hassidim–Lloyd (HHL) quantum linear systems algorithm (QLSA) for solving the idealized Hele–Shaw flow. Our focus is on the accuracy and computational cost of the HHL solver, which we find to be sensitive to the condition number, scaling exponentially with problem size. This emphasizes the need for preconditioning to enhance the practical use of QLSAs in fluid flow applications. Moreover, we perform shots-based simulations on quantum simulators and test the HHL solver on superconducting quantum devices, where noise, large circuit depths, and gate errors limit performance. Error suppression and mitigation techniques improve accuracy, suggesting that such fluid flow problems can benchmark noise mitigation efforts. Finally, our findings provide a foundation for future, more complex application of QLSAs in fluid flow simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Towards quantum simulations in particle physics and beyond on noisy intermediate-scale quantum devices

We review two algorithmic advances that bring us closer to reliable quantum simulations of model systems in high-energy physics and beyond on noisy intermediate-scale quantum (NISQ) devices. The first method is the dimensional expressivity analysis of quantum circuits, which allows for constructing minimal but maximally expressive quantum circuits. The second method is an efficient mitigation of readout errors on quantum devices. Both methods can lead to significant improvements in quantum simulations, e.g. when variational quantum eigensolvers are used. This article is part of the theme issue ‘Quantum technologies in particle physics’.

Science & Technology - Other Topics↗
DOE OSTI2023

Demonstration of Quantum Energy Teleportation on Superconducting Quantum Hardware

Teleporting physical quantities to remote locations remains a key challenge for quantum information science and technology. Quantum teleportation has enabled the transfer of quantum information, but teleportation of quantum physical quantities has not yet been realized. Here we report the realization and observation of quantum energy teleportation on real superconducting quantum hardware. We achieve this by using several IBM superconducting quantum computers. The results are consistent with the exact solution of the theory and are improved by the mitigation of measurement error. Quantum energy teleportation requires only local operations and classical communication. Furthermore, our results provide a realistic benchmark that is fully achievable with current quantum computing and communication technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

3D Simulations Capture the Persistent Low-Mode Asymmetries Evident in Laser-Direct-Drive Implosions on OMEGA

Spherical implosions in Inertial Confinement Fusion (ICF) are inherently sensitive to perturbations that may arise from experimental constraints and errors. Control and mitigation of low-mode (long wavelengths) perturbations is a key milestone to improving implosion performances. Here, we present the first 3-D radiation-hydrodynamic simulations of directly driven ICF implosions with an inline package for polarized Crossed-Beam Energy Transfer (CBET). Simulations match bang times, yields (separately accounting for laser-induced high modes and fuel age), hot spot flow velocities and direction, for which polarized CBET contributes to the systematic flow orientation evident in the OMEGA implosion database. Current levels of beam mispointing, imbalance, target offset and asymmetry from polarized CBET degrade yields by more than 40%. The effectiveness of two mitigation strategies for low-modes is explored.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Errors in reconstruction of dichroic X-ray orientation tomography due to polarization rotation of the incident beam

Dichroic X-ray tomography is a technique in which the crystal orientation or magnetization of a sample is resolved in three dimensions. The best-known uses of this technique are for observation of magnetic moments via circular dichroism, using left- and right-handed circularly polarized X-ray beams. Another variant uses linear dichroism to resolve the crystal orientation. In both these techniques, it is assumed that the absorption of X-rays along a path inside a material can be computed as a line integral of a local absorption coefficient along the ray path. For linear dichroism, this assumption is inaccurate because the polarization of the beam changes along the propagation direction when the optic axis of the material is not aligned along the polarization. In this work, a finite-element Maxwell solver is used to simulate tomography and reconstructions. The propagation effect can lead to significant errors in the reconstructed orientations. These errors may be mitigated by taking data at additional angles or by operating at energies at which the dichroism is weak. An iterative approach is proposed which may allow accurate reconstruction with fewer data than would otherwise be required.

X-ray linear dichroism↗
DOE OSTI2021

Multi-Time Scale Coordinated Control and Scheduling of Inverter-Based TCLs With Variable Wind Generation

To address microgrid tie flow errors caused by wind generation variability, here we propose and develop a multi-time scale coordinated control and scheduling strategy for inverter-based thermostatically controlled loads (TCLs). First, in hour-time scale, inverter-based TCLs with adjusting temperature set-point are modeled as virtual generators to compensate tie flow deviations in the day-ahead plan. Next, in minute-time scale, virtual batteries representing operating behaviors of inverter-based TCLs with frequency control are scheduled determined by the control of virtual generators in hour-time scale. The virtual batteries are scheduled to smooth out tie flow errors corresponding to day-ahead plan and hour-time scale schedules. The multi-time scale control methods are coordinated to employ the response potential of inverter-based TCLs and response curve-based methods are proposed to control inverter-based TCLs considering the customer privacy. The multi-time scale stochastic schedules which are based on response curves of inverter-based TCLs are coordinated to accommodate wind generation variability. Simulation results demonstrate that the microgrid tie flow errors are effectively mitigated by the proposed multi-time scale coordinated control and scheduling of inverter-based TCLs.

24 POWER TRANSMISSION AND DISTRIBUTION↗