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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Scalable Space-Time Domain Decomposition Approach for Solving Large Scale Nonlinear Regularized Inverse Ill Posed Problems in 4D Variational Data Assimilation

We address the development of innovative algorithms designed to solve the strong-constraint Four Dimensional Variational Data Assimilation (4DVar DA) problems in large scale applications. We present a space-time decomposition approach which employs the whole domain decomposition, i.e. both along the spacial and temporal direction in the overlapping case, and the partitioning of both the solution and the operator. Starting from the global functional defined on the entire domain, we get to a sort of regularized local functionals on the set of sub domains providing the order reduction of both the predictive and the Data Assimilation models. The algorithm convergence is developed. Performance in terms of reduction of time complexity and algorithmic scalability is discussed on the Shallow Water Equations on the sphere. The number of state variables in the model, the number of observations in an assimilation cycle, as well as numerical parameters as the discretization step in time and in space domain are defined on the basis of discretization grid used by data available at repository Ocean Synthesis/Reanalysis Directory of Hamburg University.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Dangling Bonds as Possible Contributors to Charge Noise in Silicon and Silicon–Germanium Quantum Dot Qubits

Spin qubits based on Si and Si 1–x Ge x quantum dot architectures exhibit among the best coherence times of competing quantum computing technologies, yet they still suffer from charge noise that limit their qubit gate fidelities. Identifying the origins of these charge fluctuations is therefore a critical step toward improving Si quantum-dot-based qubits. Here, we use hybrid functional calculations to investigate possible atomistic sources of charge noise, focusing on charge trapping at Si and Ge dangling bonds (DBs). We evaluate the role of global and local environment in the defect levels associated with DBs in Si, Ge, and Si 1–x Ge x alloys, and consider their trapping and excitation energies within the framework of configuration coordinate diagrams. We additionally consider the influence of strain and oxidation in charge-trapping energetics by analyzing Si and GeSi DBs in SiO 2 and strained Si layers in typical Si 1–x Ge x quantum dot heterostructures. Our results identify that Ge dangling bonds are more problematic charge-trapping centers both in typical Si 1–x Ge x alloys and associated oxidation layers, and they may be exacerbated by compositional inhomogeneities. In conclusion, these results suggest the importance of alloy homogeneity and possible passivation schemes for DBs in Si-based quantum dot qubits and are of general relevance to mitigating possible trap levels in other Si, Ge, and Si 1–x Ge x -based metal-oxide-semiconductor stacks and related devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Constrained variational optimization of counting-time allocation in sequential scattering measurements: Application to Bonse–Hart USANS

Sequential scattering measurements are often performed under a fixed experimental-time budget, even though the expected count rate varies strongly across the measured coordinate. When the dwell time at each measurement position can be controlled independently, this variation creates a general resource-allocation problem: how should the available time be distributed to minimize the uncertainty of the reconstructed profile? We formulate this problem as a constrained variational optimization for measurements governed by Poisson counting statistics. When each measurement is treated independently, minimizing the averaged squared relative uncertainty yields an inverse-square-root intensity allocation. The formulation is then generalized to include correlations between neighboring measurements and an instrumental resolution operator, leading to an allocation criterion that equalizes the marginal reduction in posterior uncertainty per unit measurement time. Bonse–Hart ultra-small-angle neutron scattering (USANS), in which reciprocal space is sampled sequentially through analyzer-angle stepping, provides an experimentally grounded application. Computational benchmarking shows that the optimized allocation outperforms uniform-time and constant-relative-error strategies, while application to an experimentally measured graphite USANS profile from the Spallation Neutron Source, using Poisson resampling under alternative schedules, demonstrates how counting time should be redistributed toward weak-intensity regions under an identical total duration. The resulting framework applies to sequential scattering and related scanning measurements whenever local dwell times are adjustable and directly determine the measurement uncertainties, and when the relevant correlation and instrumental-response models are available.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗
DOE OSTI2021

Bridge Seismic Screening Tool (BSST), Version 2.0

The Regional Resiliency Assessment Program (RRAP) is a cooperative assessment of specific critical infrastructure within a designated geographic area and a regional analysis of the surrounding infrastructure that addresses a range of infrastructure resilience issues that could have regionally and nationally significant consequences. In 2018, DHS’s Cybersecurity and Infrastructure Security Agency (CISA) sponsored the Oregon Transportation Systems RRAP project in coordination with the Office of the Governor (under the oversight of the state resilience officer), the Oregon Office of Emergency Management (OEM), the Oregon Department of Transportation (ODOT), and other regional stakeholders (CISA 2021). This project focuses on assessing the impacts of a Cascadia Subduction Zone (CSZ) earthquake on state transportation systems and, in particular, how those impacts may affect the ability of emergency response efforts to move supplies into the region. The intended outcome of this analysis is the prioritization of transportation routes and modes for additional planning, investment, hardening, or other activities to enhance their resilience—and therefore, to enhance their ability to support response and recovery efforts following a CSZ earthquake. An important part of this transportation system-level assessment has been to assess the seismic vulnerability of the state highway system. In doing so, the RRAP project team used the Bridge Seismic Screening Tool (BSST) to assess, at a system-level, the potential impacts that a CSZ earthquake could have on state highway bridges (Bergerson et al. 2019).1 Argonne National Laboratory (Argonne), in collaboration with the Washington State Department of Transportation (WSDOT), originally developed the BSST as part of the 2017 Washington State Transportation Systems RRAP project, a sister project to the 2018 Oregon Transportation Systems RRAP project. Argonne updated the BSST during this more recent project in Oregon based on feedback from stakeholders and subject matter experts (SMEs) on the original version of the tool. The first step in the BSST is to assess the seismic vulnerability of roadway bridges following a CSZ earthquake to determine a projected or potential damage state. Damage states then help determine approximate reopening times for bridge crossings.2 This document provides details on the BSST methodology, the implementation of that tool to analyze the projected damage incurred in a CSZ earthquake scenario, and the determination of corresponding reopening times of interstate, state highway, and local bridges following such an event.

58 GEOSCIENCES↗
NASA NTRS1986

Mass and energy balance of the cold Io torus

A new model of the cold Io torus is described. Ions and energy are injected into the system by independent processes so that the mass balance is isolated from the energy balance. The primary source of energy is local ionization and acceleration of hot pickup ions resulting from charge exchange between thermal ions and an extended cloud of Iogenic sulfur and oxygen atoms. The primary energy loss mechanism of the plasma is collisionally excited line emission at optical wavelengths. The primary ion source is radial diffusion inward from the hot torus on a time scale of 140-710 days. The primary ion loss mechanism is a novel two-step enhanced recombination mechanism involving charge exchange between thermal ions and an extended cloud of neutral SO2 molecules, followed by rapid dissociative recombination of the resultant molecular ion. The model provides a self-consistent solution which reconciles a number of diverse observations with known physical processes.

Moreno, M. A.↗
NASA NTRSDate not supplied

Stability Analysis of the Flow over a Swept Forward-Facing Step using PIV Base Flowsin a Non-Orthogonal Coordinate System

Understanding the flow of a crossflow-vortex-dominated boundary layer over a forward-facing step excrescence is necessary in order to mitigate an early transition scenario on the wings and tail of commercial aircraft. By performing BiGlobal stability analysis on the flowfield measured with high-resolution, stereographic Particle Image Velocimetry (PIV), previous work has shown that a family of unstable disturbances exists in the direct downstream vicinity of a supercritical, forward-facing step. The goal of the present paper is to improve the previously used stability approach on two fronts: 1) the stability problem is formulated in a non-orthogonal coordinate system and 2) the contribution of the out-of-plane base-flow derivatives is accounted for locally. The resulting eigen solutions feature significantly stronger growth rates and eigenfunctions that are localized above regions of reverse flow. The changes in the problem formulation furthermore establish a significant improvement in the comparison of the stability solutions with the results from the Spectral Proper Orthogonal Decomposition (SPOD) of a time-resolved measurement of the perturbation content. A large destabilizing effect by the out-of-plane base-flow derivatives is determined to be justified, despite the assumption that these derivatives are small, because the effect can be reconstructed upon using an eigenvalue-correction formula that assumes the responsible terms are infinitesimally small. The unstable perturbation mechanisms are demonstrated to have a convective nature by assessing the relation between the frequency and the out-of-plane wavenumber, which indicates that their group speed does not approach zero. The last 2 facts, that 1) the perturbations are convective and 2) that the out-of-plane base-flow-derivative terms are small, remove any qualitative suspicions that the perturbation problem is not conducive to parabolization. This opens the path to analyzing this problem with a plane-marching approach.

Boundary- Layer Transition↗
DOE OSTI2024

Modulating Transition Metal Reactivity with Force

The reactivity and selectivity of a transition metal catalyst is intimately related to its ligand-sphere geometry, and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another. For this reason, methods for reversibly modulating ligand geometry on the time scale of catalytic turnover or monomer enchainment are highly desirable. Mechanical force represents a heretofore untapped approach to modulate catalyst geometry and/or reactivity, with the potential to do so on the timescale of catalytic turnover or monomer enchainment. Macroscopic mechanical forces are large, directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. Here, in this Concept, we describe our efforts to address the fundamental challenges associated with force-modulated transition metal catalysis by employing molecular force probe ligands comprising a stiff stilbene photoswitch tethered to rotationally flexible biaryl bisphosphine ligand. Our efforts to date include the modulation of catalytic activity through force-mediated ligand perturbations, quantification of the force-coupled ligand effects on the energetics of elementary organometallic transformations, and evaluation of the mechanisms of force transduction in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Application of a lower-upper implicit scheme and an interactive grid generation for turbomachinery flow field simulations

A finite-volume lower-upper (LU) implicit scheme is used to simulate an inviscid flow in a tubine cascade. This approximate factorization scheme requires only the inversion of sparse lower and upper triangular matrices, which can be done efficiently without extensive storage. As an implicit scheme it allows a large time step to reach the steady state. An interactive grid generation program (TURBO), which is being developed, is used to generate grids. This program uses the control point form of algebraic grid generation which uses a sparse collection of control points from which the shape and position of coordinate curves can be adjusted. A distinct advantage of TURBO compared with other grid generation programs is that it allows the easy change of local mesh structure without affecting the grid outside the domain of independence. Sample grids are generated by TURBO for a compressor rotor blade and a turbine cascade. The turbine cascade flow is simulated by using the LU implicit scheme on the grid generated by TURBO.

Choo, Yung K.↗
NASA NTRS1989

Application of a lower-upper implicit scheme and an interactive grid generation for turbomachinery flow field simulations

A finite-volume lower-upper (LU) implicit scheme is used to simulate an inviscid flow in a turbine cascade. This approximate factorization scheme requires only the inversion of sparse lower and upper triangular matrices, which can be done efficiently without extensive storage. As an implicit scheme it allows a large time step to reach the steady state. An interactive grid generation program (TURBO), which is being developed, is used to generate grids. This program uses the control point form of algebraic grid generation which uses a sparse collection of control points from which the shape and position of coordinate curves can be adjusted. A distinct advantage of TURBO compared with other grid generation programs is that it allows the easy change of local mesh structure without affecting the grid outside the domain of dependence. Sample grids are generated by TURBO for a compressor rotor blade and a turbine cascade. The turbine cascade flow is simulated by using the LU implicit scheme on the grid generated by TURBO.

Choo, Yung K.↗
NASA NTRS1998

Interfacing with Legacy using Remote Method Invocation

The assignment described was enough to make a neophyte Java developer bolt for the door: provide a remote method for use by an applet which invokes a native method that wraps a function in an existing legacy library. The purpose of the remote method is to return an instance of a class object whose contents reflect the data structure returned by the legacy function. While embroiled in implementation, I would have spent the time wading through their JNI use group archive as well, but I couldn't seem to locate one. Subsequently, I made the decision to try to document my findings in order to assist others. Before we start on the class design, let's look at what the existing legacy code does. The C function to be called, Get-Legacy-Data, consists of two steps: an ASII file is read from the local disk and its contents are parsed into a Legacy_Type structure whose address is passed as an argument by the caller. The legacy code was compiled into a shared object library, legacy. so, using the IRIX 6.2 compiler and then loaded onto the Web server, a Silicon Graphics Indy station loaded with the IRIX 6.4 operating system. As far as the class design is concerned, the first thing required is a class to act as a template for the data structure returned by the legacy function. This class, JLegacy, declares a series of public instance variables which correspond to the members of Legacy_Type and provides a parameterless constructor. This constructor is never called, not even by the native method which allocates the object for return to the remote method. Next, the remote interface declaration for the remote object must be defined. In order for JLegacyRO to implement getJLegacy, JLegacyRO must interface with the existing legacy code through a native method, getn. getn is declared in the JLegacyRO class but implemented in C, just like the legacy code. getn returns a JLegacy instance and is declared static since its implementation is the same for all instances of the JLegacyRO class.

Howard, Scott M.↗
NASA NTRS1998

Impact of the 1997-1998 El-Nino of Regional Hydrology

The 1997-1998 El-Nino brought with it a range of severe local-regional hydrological phenomena. Record high temperatures and extremely dry soil conditions in Texas is an example of this regional effect. The El-Nino and La-Nina change the continental weather patterns considerably. However, connections between continental weather anomalies and regional or local anomalies have not been established to a high degree of confidence. There are several unique features of the recent El-Nino and La-Nina. Due to the recognition of the present El-Nino well in advance, there have been several coupled model studies on global and regional scales. Secondly, there is a near real-time monitoring of the situation using data from satellite sensors, namely, SeaWIFS, TOVS, AVHRR and GOES. Both observations and modeling characterize the large scale features of this El-Nino fairly well. However the connection to the local and regional hydrological phenomenon still needs to be made. This paper will use satellite observations and analysis data to establish a relation between local hydrology and large scale weather patterns. This will be the first step in using satellite data to perform regional hydrological simulations of surface temperature and soil moisture.

Lakshmi, Venkataraman↗
NASA NTRS2011

Calibrated Noise Measurements with Induced Receiver Gain Fluctuations

The lack of well-developed techniques for modeling changing statistical moments in our observations has stymied the application of stochastic process theory in science and engineering. These limitations were encountered when modeling the performance of radiometer calibration architectures and algorithms in the presence of non stationary receiver fluctuations. Analyses of measured signals have traditionally been limited to a single measurement series. Whereas in a radiometer that samples a set of noise references, the data collection can be treated as an ensemble set of measurements of the receiver state. Noise Assisted Data Analysis is a growing field of study with significant potential for aiding the understanding and modeling of non stationary processes. Typically, NADA entails adding noise to a signal to produce an ensemble set on which statistical analysis is performed. Alternatively as in radiometric measurements, mixing a signal with calibrated noise provides, through the calibration process, the means to detect deviations from the stationary assumption and thereby a measurement tool to characterize the signal's non stationary properties. Data sets comprised of calibrated noise measurements have been limited to those collected with naturally occurring fluctuations in the radiometer receiver. To examine the application of NADA using calibrated noise, a Receiver Gain Modulation Circuit (RGMC) was designed and built to modulate the gain of a radiometer receiver using an external signal. In 2010, an RGMC was installed and operated at the National Institute of Standards and Techniques (NIST) using their Noise Figure Radiometer (NFRad) and national standard noise references. The data collected is the first known set of calibrated noise measurements from a receiver with an externally modulated gain. As an initial step, sinusoidal and step-function signals were used to modulate the receiver gain, to evaluate the circuit characteristics and to study the performance of a variety of calibration algorithms. The receiver noise temperature and time-bandwidth product of the NFRad are calculated from the data. Statistical analysis using temporal-dependent calibration algorithms reveals that the natural occurring fluctuations in the receiver are stationary over long intervals (100s of seconds); however the receiver exhibits local non stationarity over the interval over which one set of reference measurements are collected. A variety of calibration algorithms have been applied to the data to assess algorithms' performance with the gain fluctuation signals. This presentation will describe the RGMC, experiment design and a comparative analysis of calibration algorithms.

Racette, Paul↗
DOE OSTI2020

Microwave-based arbitrary cphase gates for transmon qubits

Superconducting transmon qubits are of great interest for quantum computing and quantum simulation. A key component of quantum chemistry simulation algorithms is breaking up the evolution into small steps, which naturally leads to the need for nonmaximally entangling, arbitrary CPHASE gates. Here we design such microwave-based gates using an analytically solvable approach leading to smooth, simple pulses. In this work, we use the local invariants of the evolution operator in SU(4) to develop a method of constructing pulse protocols, which allows for the continuous tuning of the phase. We find CPHASE fidelities of more than 0.999 and gate times as low as 100 ns.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 2: A semi-discrete error analysis framework for assessing coupling schemes

Abstract. Part 1 (Wan et al., 2024) of this study discusses the motivation and empirical evaluation of a revision to the aerosol-related numerical process coupling in the atmosphere component of the Energy Exascale Earth System Model version 1 (EAMv1) to address the previously reported issue of strong sensitivity of the simulated dust aerosol lifetime and dry removal rate to the model's vertical resolution. This paper complements that empirical justification of the revised scheme with a mathematical justification leveraging a semi-discrete analysis framework for assessing the splitting error of process coupling methods. The framework distinguishes the error due to numerical splitting from the error due to the time integration method(s) used for each individual process. Such a distinction results in a framework that provides an intuitive understanding of the causes of the splitting error. The application of this framework to the dust life cycle in EAMv1 confirms (i) that the original EAMv1 scheme artificially strengthens the effect of dry removal processes and (ii) that the revised splitting reduces that artificial strengthening. While the error analysis framework is presented in the context of the dust life cycle in EAMv1, the framework can be broadly leveraged to evaluate process coupling schemes, both in other physical problems and for any number of processes. This framework will be particularly powerful when the various process implementations support a variety of time integration approaches. Whereas traditional local truncation error approaches require separate consideration of each combination of time integration methods, this framework enables evaluation of coupling schemes independent of particular time integration approaches for each process while still allowing for the incorporation of these specific time integration errors if so desired. The framework also explains how the splitting error terms result from (i) the integration of individual processes in isolation from other processes and (ii) the choices of input state and time step size for the isolated integration of processes. Such a perspective has the potential for the rapid development of alternative coupling approaches that utilize knowledge both about the desired accuracy and about the computational costs of individual processes.

58 GEOSCIENCES↗
DOE OSTI2022

DINGO: Digital assistant to grid operators for resilience management of power distribution system

With increasing adverse weather events and disasters, enabling resiliency of the power distribution system (PDS) is becoming increasingly important. Here in this work, resiliency is defined as the systems ability to keep supplying critical loads even with multiple contingencies. Resiliency may depend on: (a) advanced tools to assist operators in situational awareness and decision making with the increasing volume of data generated by the PDS, (b) visualization and ease of interaction with system resources and information, especially during extreme events and resulting human operator stress, and (c) flexible resources and autonomous control. Operators and support engineers need to interact with the system for key information and take action under stress, given the requirement for decisions in a short time. Integrated technological solutions are prevailing steps to support the most appropriate decision during critical times to serve essential loads. In order to meet the required goals, a Real-time Resiliency Monitoring and Operational Decision Support (RT-RMOD) tool have been developed. It supports various functionalities, including real-time monitoring, resilience assessment, and proactive decision support. However, this work makes advanced feature additions to the tool by developing data-enabled resilience management algorithms for (i) outage detection and localization, (ii) Resiliency-metric driven restoration and reconfiguration, and (iii) NLP based digital assistant for operators called DINGO (DIgital assistaNt to Grid Operators) to interact with Advanced Distribution Management System (ADMS) and RT-RMOD. The developed algorithm was validated for multiple cases of weather events using a real-world, off-grid microgrid system modeled in a real-time simulator, sensor data, and software tools.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Influence of trace level As or Ni on pyrite formation kinetics at low temperature

Pyrite formation at low temperature during early diagenesis in (sub-)surface sediments is an essential step of Fe and S biogeochemical cycles and the presence of this ubiquitous mineral of surface environments is often used as an indicator of paleo-redox conditions. Pathways of pyrite formation are usually discussed in environmental settings by involving a variety of nanosized Fe-S mineralogical precursors as a function of the local geochemical conditions. However, the influence of trace element impurities such as Ni and As in the solution at the time of pyrite formation has been poorly studied, whereas specific chemical signatures of trace elements are commonly observed in sedimentary pyrites. Here, a better understanding of the impact of Ni and As incorporation at trace levels on pyrite formation is essential to help refining the use of these elements as paleo-redox indicators and to evaluate the role of pyrite as a sink regulating the biogeochemical cycle of potentially toxic trace elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Time-Extended Policies in Mult-Agent Reinforcement Learning

Reinforcement learning methods perform well in many domains where a single agent needs to take a sequence of actions to perform a task. These methods use sequences of single-time-step rewards to create a policy that tries to maximize a time-extended utility, which is a (possibly discounted) sum of these rewards. In this paper we build on our previous work showing how these methods can be extended to a multi-agent environment where each agent creates its own policy that works towards maximizing a time-extended global utility over all agents actions. We show improved methods for creating time-extended utilities for the agents that are both "aligned" with the global utility and "learnable." We then show how to crate single-time-step rewards while avoiding the pi fall of having rewards aligned with the global reward leading to utilities not aligned with the global utility. Finally, we apply these reward functions to the multi-agent Gridworld problem. We explicitly quantify a utility's learnability and alignment, and show that reinforcement learning agents using the prescribed reward functions successfully tradeoff learnability and alignment. As a result they outperform both global (e.g., team games ) and local (e.g., "perfectly learnable" ) reinforcement learning solutions by as much as an order of magnitude.

Tumer, Kagan↗
DOE OSTI2025

Stage-local partitioned two-step runge-kutta methods for large systems of ordinary differential equations

We introduce stage-local partitioned two-step Runge-Kutta methods are an extension of standard two-step Runge-Kutta methods, which are an alternative to the standard additive two-step Runge-Kutta methods currently existing in the literature. Furthermore, these new schemes are designed with an eye towards truly N-partitioned systems and leverage local stage approximations to make several computationally interesting approximations viable. Specifically, the focus on local stage approximations makes possible the construction of truly asynchronous schemes, in the parallel sense, possible. In addition, we show that an implicit-explicit approach to these schemes can lead to methods that require the inversion of only local nonlinear systems.

Applied Dynamical Systems↗