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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multipartite entanglement in the one-dimensional spin- 1 2 Heisenberg antiferromagnet

Multipartite entanglement refers to the simultaneous entanglement between multiple subsystems of a many-body quantum system. While multipartite entanglement can be difficult to quantify analytically, it is known that it can be witnessed through the quantum Fisher information (QFI), a quantity that can also be related to dynamical Kubo response functions. In this work, we first show that the finite temperature QFI can generally be expressed in terms of a static structure factor of the system, plus a correction that vanishes as T→0. This implies that the static structure factor witnesses multipartite entanglement near quantum critical points at temperatures below a characteristic energy scale of the system. Therefore, in systems with a known static structure factor, we can deduce finite temperature scaling of multipartite entanglement and low temperature entanglement depth without knowledge of the full dynamical response function of the system. This is particularly useful to study 1D quantum critical systems in which sub-power-law divergences can dominate entanglement growth, where the conventional scaling theory of the QFI breaks down. Furthermore, the 1D spin- 1 2 antiferromagnetic Heisenberg model is an important example of such a system, and we show that multipartite entanglement in the Heisenberg chain diverges nontrivially as ~ln(1/T) 3/2 . We verify these predictions with calculations of the QFI using conformal field theory and matrix product state simulations. Finally, we discuss the implications of our results for experiments to probe entanglement in quantum materials, comparing to neutron scattering data in KCuF 3 , a material well described by the Heisenberg chain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Characterizing non-Markovian and coherent errors in quantum simulation

Quantum simulation of many-body systems, particularly using ultracold atoms and trapped ions, presents a unique form of quantum control—it is a direct implementation of a multi-qubit gate generated by the Hamiltonian. As a consequence, it also faces a unique challenge in terms of benchmarking, because the well-established gate benchmarking techniques are unsuitable for this form of quantum control. Here we show that the symmetries of the target many-body Hamiltonian can be used not only to benchmark but to characterize experimental errors in the quantum simulation. We use our results to develop protocols to characterize these errors, which can be implemented using state-of-the-art technology. We consider two forms of errors: (i) unitary errors arising out of systematic errors in the applied Hamiltonian and (ii) canonical non-Markovian errors arising out of random shot-to-shot fluctuations in the applied Hamiltonian. We show that the dynamics of the expectation value of the target Hamiltonian itself, which is ideally constant in time, can be used to characterize these errors. In the presence of errors, the expectation value of the target Hamiltonian shows a characteristic thermalization dynamics, when it satisfies the operator thermalization hypothesis (OTH). That is, an oscillation in the short time followed by relaxation to a steady-state value in the long time limit. We show that while the steady-state value can be used to characterize the coherent errors, the amplitude of the oscillations can be used to estimate the non-Markovian errors. We prove a sandwich theorem to establish a linear relation between the amplitude of the oscillations and the magnitude of the non-Markovian errors. Moreover, by varying the initial state, we show that the steady state values can be used to completely construct the generator of the coherent errors. Using these results, we develop two experimental protocols to characterize the unitary errors based on these results, one of which requires single-qubit addressing and the other one doesn't. We also develop a protocol to characterize non-Markovian errors. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

An Advanced Cyber-Physical System Security Testbed for Substation Automation

A Cyber-Physical System (CPS) testbed serves as a powerful platform for testing and validating cyber intrusion detection and mitigation strategies in substations. This study presents the design and development of a CPS testbed that can effectively assess the real-time dynamics of a substation. Cyber attacks exploiting IEC 61850-based SV and GOOSE protocols are demonstrated using the testbed, along with an analysis on attack detection. Realistic timing measurements are obtained, and the time frames for deploying detection and mitigation strategies are evaluated.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Equation-Free Coarse Control of Distributed Parameter Systems via Local Neural Operators

The control of high-dimensional distributed parameter systems (DPS) remains a challenge when explicit coarse-grained equations are unavailable. Classical equation-free (EF) approaches rely on fine-scale simulators treated as black-box timesteppers. However, repeated simulations for steady-state computation, linearization, and control design are often computationally prohibitive, or the microscopic timestepper may not even be available, leaving us with data as the only resource. We propose a data-driven alternative that uses local neural operators, trained on spatiotemporal microscopic/mesoscopic data, to obtain efficient short-time solution operators. These surrogates are employed within Krylov subspace methods to compute coarse steady and unsteady-states, while also providing Jacobian information in a matrix-free manner. Krylov-Arnoldi iterations then approximate the dominant eigenspectrum, yielding reduced models that capture the open-loop slow dynamics without explicit Jacobian assembly. Both discrete-time Linear Quadratic Regulator (dLQR) and pole-placement (PP) controllers are based on this reduced system and lifted back to the full nonlinear dynamics, thereby closing the feedback loop.

93B52, 93C20, 47N70, 65J15, 65M32, 68T07, 68T20, 6↗
DOE OSTI2022

Conversion of Classical Light Emission from a Nanoparticle‐Strained WSe 2 Monolayer into Quantum Light Emission via Electron Beam Irradiation

Abstract Solid‐state single photon emitters (SPEs) within atomically thin transition metal dichalcogenides (TMDs) have recently attracted interest as scalable quantum light sources for quantum photonic technologies. Among TMDs, WSe 2 monolayers (MLs) are promising for the deterministic fabrication and engineering of SPEs using local strain fields. The ability to reliably produce isolatable SPEs in WSe 2 is currently impeded by the presence of numerous spectrally overlapping states that occur at strained locations. Here nanoparticle (NP) arrays with precisely defined positions and sizes are employed to deterministically create strain fields in WSe 2 MLs, thus enabling the systematic investigation and control of SPE formation. Using this platform, electron beam irradiation at NP‐strained locations transforms spectrally overlapped sub‐bandgap emission states into isolatable, anti‐bunched quantum emitters. The dependence of the emission spectra of WSe 2 MLs as a function of strain magnitude and exposure time to electron beam irradiation is quantified and provides insight into the mechanism for SPE production. Excitons selectively funnel through strongly coupled sub‐bandgap states introduced by electron beam irradiation, which suppresses spectrally overlapping emission pathways and leads to measurable anti‐bunched behavior. The findings provide a strategy to generate isolatable SPEs in 2D materials with a well‐defined energy range.

2D material↗
DOE OSTI2024

Sub‐Diffraction Correlation of Quantum Emitters and Local Strain Fields in Strain‐Engineered WSe 2 Monolayers

Strain-engineering in atomically thin metal dichalcogenides is a useful method for realizing single-photon emitters (SPEs) for quantum technologies. Correlating SPE position with local strain topography is challenging due to localization inaccuracies from the diffraction limit. Currently, SPEs are assumed to be positioned at the highest strained location and are typically identified by randomly screening narrow-linewidth emitters, of which only a few are spectrally pure. In this work, hyperspectral quantum emitter localization microscopy is used to locate 33 SPEs in nanoparticle-strained WSe 2 monolayers with sub-diffraction-limit resolution (≈30 nm) and correlate their positions with the underlying strain field via image registration. In this system, spectrally pure emitters are not concentrated at the highest strain location due to spectral contamination; instead, isolable SPEs are distributed away from points of peak strain with an average displacement of 240 nm. These observations point toward a need for a change in the design rules for strain-engineered SPEs and constitute a key step toward realizing next-generation quantum optical architectures.

2D material↗
DOE OSTI2020

The transformation of diamond to graphite: Experiments reveal the presence of an intermediate linear carbon phase

Natural diamonds that have been partially replaced by graphite have been observed to occur in natural rocks. While the graphite-to-diamond phase transition has been extensively studied the opposite of this (diamond to graphite) remains poorly understood. We performed high-pressure and temperature hydrous and anhydrous experiments up to 1.0 GPa and 1300 °C using Amplex premium virgin synthetic diamonds (20–40 μm size) as the starting material mixed with Mg(OH) 2 as a source of H 2 O for the hydrous experiments. The experiments revealed that the diamond-to-graphite transformation at P = 1.0 GPa and T = 1300 °C was triggered by the presence of H 2 O and was accomplished through a three-stage process. Stage 1: diamond reacts with a supercritical H 2 O producing an intermediate 200–500 nm size “globular carbon” phase. This phase is a linear carbon chain; i.e. a polyyne or carbyne. Stage 2: the linear carbon chains are unstable and highly reactive, and they decompose by zigzagging and cross-linking to form sp 2 -hybridized structures. Stage 3: normal, disordered, and onion-like graphite is produced by the decomposition of the sp-hybridized carbon chains which are re-organized into sp 2 bonds. Our experiments show that there is no direct transformation from sp 3 C-bonds into sp 2 C-bonds. Our hydrous high-pressure and high-temperature experiments show that the diamond-to-graphite transformation requires an intermediate metastable phase of a linear hydrocarbon. This process also provides a simple mechanism for the substitution of other elements into the graphite structure (e.g. H, S, O).

36 MATERIALS SCIENCE↗
DOE OSTI2023

A universal variational quantum eigensolver for non-Hermitian systems

Abstract Many quantum algorithms are developed to evaluate eigenvalues for Hermitian matrices. However, few practical approach exists for the eigenanalysis of non-Hermintian ones, such as arising from modern power systems. The main difficulty lies in the fact that, as the eigenvector matrix of a general matrix can be non-unitary, solving a general eigenvalue problem is inherently incompatible with existing unitary-gate-based quantum methods. To fill this gap, this paper introduces a Variational Quantum Universal Eigensolver (VQUE), which is deployable on noisy intermediate scale quantum computers. Our new contributions include: (1) The first universal variational quantum algorithm capable of evaluating the eigenvalues of non-Hermitian matrices—Inspired by Schur’s triangularization theory, VQUE unitarizes the eigenvalue problem to a procedure of searching unitary transformation matrices via quantum devices; (2) A Quantum Process Snapshot technique is devised to make VQUE maintain the potential quantum advantage inherited from the original variational quantum eigensolver—With additional $$O(log_{2}{N})$$ O ( l o g 2 N ) quantum gates, this method efficiently identifies whether a unitary operator is triangular with respect to a given basis; (3) Successful deployment and validation of VQUE on a real noisy quantum computer, which demonstrates the algorithm’s feasibility. We also undertake a comprehensive parametric study to validate VQUE’s scalability, generality, and performance in realistic applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Possible Observation of Quadrupole Waves in Spin Nematics

Discovery of new states of matter is a key objective in modern condensed matter physics, which often leads to revolutionary technological advancements such as superconductivity. Quantum spin nematic, a “hidden order” that evades conventional magnetic probes, is one such state. Na 2 ⁢BaNi⁢(PO 4 ) 2 is a potential spin nematic material, suggested by the observation of a two-magnon Bose-Einstein condensation from above the saturation field. However, direct confirmation of the spin nematicity remains elusive. Here, this Letter presents inelastic neutron scattering spectra from the putative spin nematic phases of Na 2⁢ BaNi⁢(PO 4 ) 2 , revealing low-energy quadrupole waves that are absent in the neighboring conventional magnetic phases. A spin-one model quantitatively captures the full details of the spin excitation spectra across all low-temperature phases, providing direct evidence of the spin nematic orders. Additionally, we show evidence of the three-magnon continuum and two-magnon bound states in the 1/3-magnetization plateau, revealing condensation of the two-magnon bound state as the origin of the low-field spin nematic supersolid phase.

Sheng, Jieming [Southern University of Science and↗
DOE OSTI2021

A field guide to cultivating computational biology

Evolving in sync with the computation revolution over the past 30 years, computational biology has emerged as a mature scientific field. While the field has made major contributions toward improving scientific knowledge and human health, individual computational biology practitioners at various institutions often languish in career development. As optimistic biologists passionate about the future of our field, we propose solutions for both eager and reluctant individual scientists, institutions, publishers, funding agencies, and educators to fully embrace computational biology. We believe that in order to pave the way for the next generation of discoveries, we need to improve recognition for computational biologists and better align pathways of career success with pathways of scientific progress. With 10 outlined steps, we call on all adjacent fields to move away from the traditional individual, single-discipline investigator research model and embrace multidisciplinary, data-driven, team science.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Anisotropic phase stiffness in infinite-layer nickelates superconductors

In unconventional superconductors such as cuprates and iron pnictides and chalcogenides, phase stiffness—a measure of the energy cost associated with superconducting phase variations—governs the formation of superconductivity. Here we demonstrate a vector current technique enabling in-situ angle-resolved transport measurements to reveal anisotropic phase stiffness in infinite-layer nickelate superconductors. Pronounced anisotropy of in-plane resistance manifests itself in both normal and superconducting transition states, indicating crystal symmetry breaking. Remarkably, the electric conductivity of Nd 0.8 Sr 0.2 NiO 2 peaks at 125° between the direction of the current and crystal principal axis, but this angle evolves to 160° near zero-resistance temperature. Further measurements reveal that the phase stiffness maximizes along 160°, a direction distinct from the symmetry axis imposed by both electronic nematicity and the crystal lattice. Identical measurements conducted on a prototypical cuprate superconductor yield consistent results. By identifying the contrasting anisotropy between electron fluid and superfluid in both nickelates and cuprates, our findings provide clues for a unified framework for understanding unconventional superconductors.

Xu, Minyi [University of Electronic Science and Te↗
DOE OSTI2024

Not even 6 dB: Gaussian quantum illumination in thermal background

Abstract In analyses of target detection with Gaussian state transmitters in a thermal background, the thermal occupation is taken to depend on the target reflectivity in a way which simplifies the analysis of the symmetric quantum hypothesis testing problem. However, this assumption precludes comparison of target detection performance between an arbitrary transmitter and a vacuum state transmitter, i.e. ‘detection without illumination’, which is relevant in a bright thermal background because a target can be detected by its optical shadow or some other perturbation of the background. Using a target-agnostic thermal environment leads to the result that the oft-claimed 6 dB possible reduction in the quantum Chernoff exponent for a two-mode squeezed vacuum transmitter over a coherent state transmitter in high-occupation thermal background is an unachievable limiting value, only occurring in a limit in which the target detection problem is ill-posed. Further analyzing quantum illumination in a target-agnostic thermal environment shows that a weak single-mode squeezed transmitter performs worse than ‘no illumination’, which is explained by the noise-increasing property of reflected low-intensity squeezed light.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The Observed and Projected Changes of Global Monsoons: Current Status and Future Perspectives

The global monsoon system, encompassing the Asian-Australian, African, and American monsoons, sustains two-thirds of the world’s population by regulating water resources and agriculture. Monsoon anomalies pose severe risks, including floods and droughts. Recent research associated with the implementation of the Global Monsoons Model Intercomparison Project under the umbrella of CMIP6 has advanced our understanding of its historical variability and driving mechanisms. Observational data reveal a 20th-century shift: increased rainfall pre-1950s, followed by aridification and partial recovery post-1980s, driven by both internal variability (e.g., Atlantic Multidecadal Oscillation) and external forcings (greenhouse gases, aerosols), while ENSO drives interannual variability through ocean-atmosphere interactions. Future projections under greenhouse forcing suggest long-term monsoon intensification, though regional disparities and model uncertainties persist. Models indicate robust trends but struggle to quantify extremes, where thermodynamic effects (warming-induced moisture rise) uniformly boost heavy rainfall, while dynamical shifts (circulation changes) create spatial heterogeneity. Volcanic eruptions and proposed solar radiation modification (SRM) further complicate predictions: tropical eruptions suppress monsoons, whereas high-latitude events alter cross-equatorial flows, highlighting unresolved feedbacks. The emergent constraint approach is booming in terms of correcting future projections and reducing uncertainty with respect to the global monsoons. Critical challenges remain. Model biases and sparse 20th-century observational data hinder accurate attribution. The interplay between natural variability and anthropogenic forcings, along with nonlinear extreme precipitation risks under warming, demands deeper mechanistic insights. Additionally, SRM’s regional impacts and hemispheric monsoon interactions require systematic evaluation. Addressing these gaps necessitates enhanced observational networks, refined climate models, and interdisciplinary efforts to disentangle multiscale drivers, ultimately improving resilience strategies for monsoon-dependent regions.

climate extreme events↗
DOE OSTI2022

A Systems Engineering Analysis of National Ignition Facility Industrial Controls Systems and Safety Interlock Systems Remote Input/Output Networking Migration from ControlNet to EtherNet/IP

The ControlNet industrial communications protocol and modules used in the Industrial Control System (ICS) and Safety Interlock System (SIS) at the National Ignition Facility (NIF) are no longer necessary and the ICS and SIS would be better served by migrating the communications structure to use EtherNet/Industrial Protocol (IP) and EtherNet bridge modules instead. By the admission of the vendor of ControlNet hardware, Rockwell Automation, in literature by Bill Petro [1], “Moving forward, customers will be able to optimize their asset utilization better using EtherNet/IP protocol than with ControlNet.” The NIF is one of the key elements of the Inertial Confinement Fusion (ICF) program at Lawrence Livermore National Laboratory (LLNL), a federally funded research and development center (FFRDC). The NIF contains the systems and provides the operational capacity to perform ICF, high energy density (HED), and discovery science experiments utilizing 192 individual beamlines, a host of diagnostics, and all the industrial systems required to facilitate these beamlines and diagnostics. The industrial systems are governed by the ICS and SIS, with the ICS providing control and the SIS providing monitoring and permissives. Construction on the NIF began in 1997 and was certified complete in 2009 and, as a result, the ICS and SIS were developed during this time using the tools that were available then. This includes the communications structure and protocols for these systems, much of which was, and still is, ControlNet. ControlNet, particularly during the time that the ICS and SIS were being built, has several attractive features. ControlNet hardware is exclusive to Rockwell Automation, which was the automation hardware chosen for the ICS and SIS. One feature that could be considered an advantage or a disadvantage depending on the communication needs of the system is that ControlNet also utilizes no active network components, excluding repeaters which are not always necessary. According to the architect of the ICS system at the NIF, Gordon Lau, one of the most attractive features of the ControlNet protocol during development of the ICS and SIS was that it is deterministic, providing timing of data transfer that is executed exactly as it is defined by the developer.

42 ENGINEERING↗
DOE OSTI2024

LLNL NESHAPs 2023 Annual Report

Lawrence Livermore National Security, LLC operates facilities at Lawrence Livermore National Laboratory (LLNL) in which radionuclides are handled and stored. These facilities are subject to the U.S. Environmental Protection Agency (EPA) National Emission Standards for Hazardous Air Pollutants (NESHAPs) in Code of Federal Regulations (CFR) Title 40, Part 61, Subpart H, which regulates radionuclide emissions to air from Department of Energy (DOE) facilities. Specifically, NESHAPs limits the emission of radionuclides to the ambient air to levels resulting in an annual effective dose equivalent of 10 mrem (100 µSv) to any member of the public. Using measured and calculated emissions, and building-specific and common parameters, LLNL personnel applied the EPA-approved computer code, CAP88-PC, Version 4.1.1.0, to calculate the dose to the maximally exposed individual member of the public for the Livermore Site and Site 300.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Resilience of the slow component in timescale-separated synchronized oscillators

Physiological networks are usually made of a large number of biological oscillators evolving on a multitude of different timescales. Phase oscillators are particularly useful in the modelling of the synchronization dynamics of such systems. If the coupling is strong enough compared to the heterogeneity of the internal parameters, synchronized states might emerge where phase oscillators start to behave coherently. Here, we focus on the case where synchronized oscillators are divided into a fast and a slow component so that the two subsets evolve on separated timescales. We assess the resilience of the slow component by, first, reducing the dynamics of the fast one using Mori-Zwanzig formalism. Second, we evaluate the variance of the phase deviations when the oscillators in the two components are subject to noise with possibly distinct correlation times. From the general expression for the variance, we consider specific network structures and show how the noise transmission between the fast and slow components is affected. Interestingly, we find that oscillators that are among the most robust when there is only a single timescale, might become the most vulnerable when the system undergoes a timescale separation. We also find that layered networks seem to be insensitive to such timescale separations.

59 BASIC BIOLOGICAL SCIENCES↗