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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Variational quantum simulation of the critical Ising model with symmetry averaging

Here we investigate the use of deep multiscale entanglement renormalization ansatz (DMERA) circuits as a variational ansatz. We use the exactly solvable one-dimensional critical transverse-field Ising model as a test bed. Numerically exact simulation of the quantum circuit ansatz can in this case be carried out to hundreds of qubits by exploiting efficient classical algorithms for simulating matchgate circuits. We find that, for this system, the DMERA strongly outperforms a standard quantum approximate optimization algorithm (QAOA)–style ansatz, and that a major source of systematic error in correlation functions approximated using the DMERA is the breaking of the translational and Kramers-Wannier symmetries of the transverse-field Ising model. We are able to reduce this error by up to four orders of magnitude by symmetry averaging, without incurring additional cost in qubits or circuit depth. Here, we propose that this technique for mitigating systematic error could be applied to noisy intermediate-scale quantum (NISQ) simulations of physical systems with other symmetries.

1-dimensional spin chains↗
DOE OSTI2021

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Enabling in-time Prognostics with Surrogate Modeling through Physics-enhanced Dynamic Mode Decomposition Method

Computational models provide essential quantitative tools for assessing and predicting the health and performance of physical systems. However, high-fidelity models are rarely used in real-time operations or large optimization loops, due to their time-intensive nature. A common approach to improving computational efficiency of prognosis is to employ surrogate models. Such models can significantly decrease computation time for some accuracy loss. In this context, use of Dynamic Mode Decomposition (DMD) is proposed to generate surrogate models for lithium-ion (Li-ion) battery discharge. DMD has been suggested and used successfully in the area of fluid dynamics for over a decade, but it has not been applied to the PHM domain, where far-ahead prediction of nonlinear behavior is crucial to propagate faults or predict Remaining Useful Life (RUL). For Li-ion battery health management, the standard application of DMD using only the observable quantities of interest was unable to capture the nonlinear discharge of batteries exhibited in lab testing. The Koopman theory, however, provides a mechanism to tradeoff low dimensional nonlinear models with high-dimensional linear ones in a DMD framework, by augmenting nonlinear state variables into the system representation. In this way, DMD allows for configurable simulation accuracy dependent on the dimensionality of the Koopman operator. For battery health management, we augmented the observable variables with the hidden states of a higher-fidelity physics model to build the DMD surrogate. In comparison to a high-fidelity model, the surrogate improved computational efficiency with only a minimal loss of accuracy, and enabled long-term prognostics horizons. A generalized method for this was implemented in the prog models python package.

prognostics and health management↗
DOE OSTI2024

On the Application of Cyber-Informed Engineering (CIE)

The 2023 National Cybersecurity Strategy has recommended a transition to secure-by-design methodologies in critical infrastructure. This paper presents the adoption of the National Cyber-Informed Engineering (CIE) Strategy as initiated by the U.S. DOE’s CESER office, advocating for the integration of cybersecurity at the earliest stages of system design. The strategy targets design engineers responsible for energy infrastructure to embed CIE principles within the engineering lifecycle, thus enhancing cyber resilience. This paper discusses the expansion of secure-by-design concepts to cyber-physical systems, moving beyond traditional IT security to include engineering considerations that can mitigate cyber risks through design choices. The paper introduces Digital Risk Management, balancing traditional cybersecurity with CIE to reduce both likelihood and impact of cyber threats. A set of CIE starter questions derived from 12 core principles is detailed, aiding engineers to consider cybersecurity in their designs and highlights the importance of CIE in anticipating and reducing the impacts of cyber attacks, suggesting that such integration is essential for national security and infrastructure resilience.

42 ENGINEERING↗
DOE OSTI2023

Nanoscale X-ray Imaging and Dynamics of Electronic and Magnetic Materials

This project supported cutting-edge nanoscale characterization developments including X-ray Imaging by utilizing the power of Coherent X-ray Diffractive Imaging (CXDI). This research pioneered new directions in studies of nanoscale dynamics using X-ray Photon Correlation Spectroscopy (XPCS) and Ultrafast X-ray Scattering (UXS), extending our understanding of science and technology at the limits of ultrasmall (atomic/nanoscale) and ultrafast (from seconds to femtosecond dynamics). The research funded by this award spans a wide range of condensed matter and materials physics systems, from correlated oxides and nanomaterials to energy-related materials, and quantum materials for neuromorphic computing.

25 ENERGY STORAGE↗
DOE OSTI2024

Attack detection and localization with adaptive thresholding

According to some embodiments, a system, method, and non-transitory computer readable medium are provided comprising a plurality of real-time monitoring nodes to receive streams of monitoring node signal values over time that represent a current operation of the cyber physical system; and a threat detection computer platform, coupled to the plurality of real-time monitoring nodes, to: receive the monitoring node signal values; compute an anomaly score; compare the anomaly score with an adaptive threshold; and detect that one of a particular monitoring node and a system is outside a decision boundary based on the comparison, and classify that particular monitoring node or system as anomalous. Numerous other aspects are provided.

Abbaszadeh, Masoud↗
NASA NTRSDate not supplied

Role of PHM in Autonomous Decision-Making: Aerospace applications

There is an increased need for onboard decision-making capabilities in cyber-physical systems be it in energy, automotive, aviation, space, or other industries as they aim for increased efficiency, resiliency, and mission assurance capabilities. Emerging next-gen technologies such as multi-rover planetary missions, distributed satellites, unmanned ground and aerial vehicle operations and smart grid systems rely on in-time risk assessment and autonomous decision-making. One critical piece of the autonomy puzzle is reliable prediction of system behavior under time-varying and potentially uncertain environmental conditions. Further, if agent states change during operation such as initiation of faults or degradation, reliable diagnostic tools need to be investigated. In this tutorial, we will revise approaches that integrates existing physics-based and data-driven models of agents interacting with probability models of the environment and component operation state. Role of existing PHM methodologies as they feed into decision-making under uncertainty will be studied. Balancing critical trade-offs between high-fidelity prognostic models, prediction time-horizons and the computational requirements for in-time cost-effective decision-making will be discussed through the implementation of surrogate models. Finally, the audience will be introduced to a real-time application of in-time trajectory planning of an unmanned aerial system (UAS) based on its PHM assessments under uncertain and varying wind conditions.

decision-making↗
DOE OSTI2022

The effect of elastic anisotropy on the symmetry selection of irradiation-induced void superlattices in cubic metals

We report self-organized microstructures and patterns have been widely observed in non-equilibrium physical systems. In particular, irradiation in metals creates far-from-equilibrium environments, in which the competing dynamics of defect production and annihilation can lead to unique self-organized superlattice structures, e.g., void and gas bubble superlattices. From a physical point of view, the superlattice structures are dictated by the intrinsic symmetry breaking in the metals, i.e., anisotropy caused by the breaking of continuous rotational symmetry. In the literature, two distinctive anisotropies, elastic anisotropy and diffusion anisotropy of interstitials, have been proposed to be the origins of superlattice formation. However, it is still unclear which anisotropy dominates the symmetry selection of superlattice structures. In this paper, we study elastic anisotropy and its effect on the symmetry of void superlattices. By using theoretical analyses and phase field simulations, we show that elastic anisotropy in cubic metals can lead to either face-centered cubic or simple cubic superlattices depending on the Zener anisotropy ratio. The superlattices formed under this elastic anisotropy mechanism must form under the influence of spinodal decomposition, as the mechanism requires perturbations in the vacancy concentration field to develop into spatially-static concentration waves. We compare to existing work on symmetry selection in superlattices via diffusion anisotropy and to experimental observations, and we suggest that concentration wave development under the influence of elastic anisotropy is not the mechanism for symmetry selection during the formation of irradiation-induced void superlattices, but that diffusion anisotropy could be the dominant mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2020

INTEGRATED WORKFLOW MANAGEMENT FOR PARTICLE ACCELERATOR SIMULATION

Supercomputing systems are used for a wide range of computationally demanding tasks in many fields of science and engineering. They play a key role in numerical simulation, in which mathematical models are computed in order to simulate the behavior of physical systems. Scientists and engineers that use supercomputers for numerical simulation often have their productivity limited by the need to manually organize and manage extremely large amounts of data that are often produced and consumed by the software programs run on these systems. Recognizing these limitations, Kitware Inc. (Clifton Park, NY) and SLAC National Accelerator Laboratory (Menlo Park, CA) are developing an advanced software platform that can reduce the cognitive overhead required by knowledge workers when using supercomputers for numerical simulation. Phase I of the project is complete and includes the development of new capabilities for organizing simulation project files, improvements to the user interface and overall usability, and deployment of a “middle tier” server to sit between user desktop machines and supercomputers to offload much of the data management workload. The project also developed prototype software for executing sequences of numerical simulations, and a prototype for migrating supercomputing software to cloud-based computing systems to provide a potential alternative to supercomputers with different logistical and price-to-performance tradeoffs.

Tourtellott, John↗
NASA NTRS1984

Approximate analytic solutions for singular non-linear oscillators

Mickens (1981, 1984) has considered analytic techniques for obtaining approximate solutions to one-dimensional nonlinear oscillatory systems x(double-dot) + x = lambda f(x, x/dot/, lambda) where lambda is a small positive parameter and f is a nonlinear polynomial function of its arguments. However, in certain cases there is interest in the analysis of physical systems for which the nonlinear function f(x, x/dot/, lambda) is singular for finite values of x or x(dot). The present investigation is concerned with the use of existing approximate analytic schemes to obtain solutions to singular nonlinear oscillatory differential equations.

Bota, K. B.↗
NASA NTRS1989

QATT: a Natural Language Interface for QPE

QATT, a natural language interface developed for the Qualitative Process Engine (QPE) system is presented. The major goal was to evaluate the use of a preexisting natural language understanding system designed to be tailored for query processing in multiple domains of application. The other goal of QATT is to provide a comfortable environment in which to query envisionments in order to gain insight into the qualitative behavior of physical systems. It is shown that the use of the preexisting system made possible the development of a reasonably useful interface in a few months.

White, Douglas Robert-Graham↗
DOE OSTI2023

Increasing Extractable Work in Small Qubit Landscapes

An interesting class of physical systems, including those associated with life, demonstrates the ability to hold thermalization at bay and perpetuate states of high free-energy compared to a local environment. In this work we study quantum systems with no external sources or sinks for energy, heat, work, or entropy that allow for high free-energy subsystems to form and persist. We initialize systems of qubits in mixed, uncorrelated states and evolve them subject to a conservation law. We find that four qubits make up the minimal system for which these restricted dynamics and initial conditions allow an increase in extractable work for a subsystem. On landscapes of eight co-evolving qubits, interacting in randomly selected subsystems at each step, we demonstrate that restricted connectivity and an inhomogeneous distribution of initial temperatures both lead to landscapes with longer intervals of increasing extractable work for individual qubits. We demonstrate the role of correlations that develop on the landscape in enabling a positive change in extractable work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

A Verification Framework for Runtime Assurance of Autonomous UAS

Runtime Assurance (RTA) is a design-time architecture for safety-critical systems where an internal monitor acts upon detecting a violation of a property. The simplex architecture is an instance of RTA, where the action taken is to hand control of the overall system to a trusted controller when an untrusted one violates a safety property. Simplex RTA is emerging as a method for allowing AI/ML and other unverified software to be integrated into safety-critical applications like aircraft. To this end, the American Society for Testing and Materials (ASTM) and NASA have each published guidelines on the use of RTA in such systems. In the simplex RTA framework, a system has an advanced controller (AC) and a reversionary controller (RC). The system is allowed to operate with the AC until a runtime monitor detects that some property has been violated and then the RC takes over. Assuming that the sample rate of the monitor will detect improper functioning with enough time for the RC to correct the impending problem, and that the RC is trusted, the system will operate as intended. This use of the simplex RTA framework can allow for the integration of untrusted, but possibly more performant, controllers in a safe way. This paper presents a formalization of a simplex RTA framework in the Prototype Verification System (PVS) theorem prover using an embedding of differential dynamic logic (DDL) called Plaidypvs. A novel feature of this framework is that it can be instantiated at different levels of abstraction. This feature allows for the formal verification of a system with an untrusted black box component, such as an AI/ML controller. This paper does not address the many difficulties in deploying RTA in an industrial-level system. Instead, the focus is on the formal verification of the simplex RTA framework in the language of hybrid programs. Hybrid programs are programs that include both discrete and continuous dynamics and can be used to model complex cyber-physical systems. Plaidypvs is a tool that enables formalization of hybrid programs in the PVS theorem prover. Plaidypvs enables the verification of the general simplex RTA framework and then, by specializing some components of the hybrid program, verifying instances of the framework while treating the untrusted component as a black box. A selection of Unmanned Aircraft Systems (UAS) operations are shown as instances of the general RTA framework in PVS. This offers the benefit of design time verification of relevant safety properties to the system, and it also gives requirements on the sample rate of sensors that determine the time interval in which the ‘switch’ property of the RTA framework is checked.

PVS↗
DOE OSTI2025

Particle Markov Chain Monte Carlo Approach to Inference in Transient Surface Kinetics

Here, in this work, we develop a novel Bayesian approach to study the adsorption and desorption of CO onto a Pd(111) surface, a process of great importance in natural sciences. The motivation for this work comes from the recent availability of time-resolved infrared spectroscopy data and the need for model interpretability and uncertainty quantification in chemical processes. The objective is to learn the relevant parameters that characterize the process: coverage with time, rate constants, activation energies, and pre-exponential factors. Our approach consists of three main schemes: (i) a problem design and probabilistic model for the whole system, (ii) a particle Markov chain Monte Carlo sampler to learn the hidden coverages and rate constant parameters, and (iii) two Bayesian formulations to infer the activation energies and pre-exponential factors. The flexibility of the Bayesian framework allows for uncertainty quantification where possible and integration of mathematical constraints in the model to reflect the system physically. We found that our results for the activation energies and pre-exponential factor are in agreement with those reported in the experimental literature, independently, and we provide discussions on the advantages and disadvantages as well as applicability to other systems.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Redundancy management of electrohydraulic servoactuators by mathematical model referencing

A description of a mathematical model reference system is presented which provides redundancy management for an electrohydraulic servoactuator. The mathematical model includes a compensation network that calculates reference parameter perturbations induced by external disturbance forces. This is accomplished by using the measured pressure differential data taken from the physical system. This technique was experimentally verified by tests performed using the H-1 engine thrust vector control system for Saturn IB. The results of these tests are included in this report. It was concluded that this technique improves the tracking accuracy of the model reference system to the extent that redundancy management of electrohydraulic servosystems may be performed using this method.

Campbell, R. A.↗
NASA NTRS2003

System Modeling and Diagnostics for Liquefying-Fuel Hybrid Rockets

A Hybrid Combustion Facility (HCF) was recently built at NASA Ames Research Center to study the combustion properties of a new fuel formulation that burns approximately three times faster than conventional hybrid fuels. Researchers at Ames working in the area of Integrated Vehicle Health Management recognized a good opportunity to apply IVHM techniques to a candidate technology for next generation launch systems. Five tools were selected to examine various IVHM techniques for the HCF. Three of the tools, TEAMS (Testability Engineering and Maintenance System), L2 (Livingstone2), and RODON, are model-based reasoning (or diagnostic) systems. Two other tools in this study, ICS (Interval Constraint Simulator) and IMS (Inductive Monitoring System) do not attempt to isolate the cause of the failure but may be used for fault detection. Models of varying scope and completeness were created, both qualitative and quantitative. In each of the models, the structure and behavior of the physical system are captured. In the qualitative models, the temporal aspects of the system behavior and the abstraction of sensor data are handled outside of the model and require the development of additional code. In the quantitative model, less extensive processing code is also necessary. Examples of fault diagnoses are given.

Poll, Scott↗
NASA NTRS2009

Liquid crystal devices especially for use in liquid crystal point diffraction interferometer systems

Liquid crystal point diffraction interferometer (LCPDI) systems that can provide real-time, phase-shifting interferograms that are useful in the characterization of static optical properties (wavefront aberrations, lensing, or wedge) in optical elements or dynamic, time-resolved events (temperature fluctuations and gradients, motion) in physical systems use improved LCPDI cells that employ a "structured" substrate or substrates in which the structural features are produced by thin film deposition or photo resist processing to provide a diffractive element that is an integral part of the cell substrate(s). The LC material used in the device may be doped with a "contrast-compensated" mixture of positive and negative dichroic dyes.

Marshall, Kenneth L.↗
DOE OSTI2022

Quantum wake dynamics in Heisenberg antiferromagnetic chains

Traditional spectroscopy, by its very nature, characterizes physical system properties in the momentum and frequency domains. However, the most interesting and potentially practically useful quantum many-body effects emerge from local, short-time correlations. Here, using inelastic neutron scattering and methods of integrability, we experimentally observe and theoretically describe a local, coherent, long-lived, quasiperiodically oscillating magnetic state emerging out of the distillation of propagating excitations following a local quantum quench in a Heisenberg antiferromagnetic chain. This “quantum wake” displays similarities to Floquet states, discrete time crystals and nonlinear Luttinger liquids. We also show how this technique reveals the non-commutativity of spin operators, and is thus a model-agnostic measure of a magnetic system’s “quantumness.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗