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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 955 records · Page 53

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NASA NTRS1995

Numerical magetohydrodynamics in astronphysics: Algorithm and tests for one-dimensional flow`

We describe a numerical code to solve the equations for ideal magnetohydrodynamics (MHD). It is based on an explicit finite difference scheme on an Eulerian grid, called the total variation diminishing (TVD) scheme, which is a second-order-accurate extension of the Roe-type upwind scheme. We also describe a non-linear Riemann solver for ideal MHD, which includes rarefractions as well as shocks. The numerical code and the Riemann solver have been used to test each other. Extensive tests encompassing all the possible ideal MHD structures with planar symmetries (i.e., one-dimensional flows) are presented. These include those for which the field structure is two dimensional (i.e., those flows often called '1 + 1/2 dimensional') as well as those for which the magnetic field plane rotates (i.e., those flows often called '1 + 1/2 + 1/2 dimensional'). Results indicate that the code can resolve strong fast, slow, and magnetosonic shocks within two to four cells, but more cells are required if shocks become weak. With proper steepening, we could resolve rotational discontinuities within three to five cells. However, without successful implementation of steepening, contact discontinuities are resolved with approximately 10 cells and tangential discountinuities are resolved with approximately 15 cells. Out tests confirm that slow compound structures with tow-dimensional magnetic fields are composed of intermediate shocks (so-called 2-4 intermediate shocks) followed by slow rarefaction waves. Finally, tests demostrate that in two-dimensional magnetohydrodynamics, fast compound structures, which are composed of intermediate shocks (so-called 1-3 intermediate shocks) preceeded by fast rarefaction waves, are also possible.

Ryu, Dongsu↗

DOE OSTI2024

Finite elements for Matérn-type random fields: Uncertainty in computational mechanics and design optimization

This work highlights an approach for incorporating realistic uncertainties into scientific computing workflows based on finite elements, focusing on prevalent applications in computational mechanics and design optimization. We leverage Matérn-type Gaussian random fields (GRFs) generated using the SPDE method to model aleatoric uncertainties, including environmental influences, variating material properties, and geometric ambiguities. Our focus lies on delivering practical GRF realizations that accurately capture imperfections and variations and understanding how they impact the predictions of computational models as well as the shape and topology of optimized designs. Here we describe a numerical algorithm based on solving a generalized SPDE to sample GRFs on arbitrary meshed domains. The algorithm leverages established techniques and integrates seamlessly with the open-source finite element library MFEM and associated scientific computing workflows, like those found in industrial and national laboratory settings. Our solver scales efficiently for large-scale problems and supports various domain types, including surfaces and embedded manifolds. We showcase its versatility through biomechanics and topology optimization applications, emphasizing the potential to influence these domains. The flexibility and efficiency of SPDE-based GRF generation empowers us to run large-scale optimization problems on 2D and 3D domains, including finding optimized designs on embedded surfaces, and to generate design features and topologies beyond the reach of conventional techniques. Moreover, these capabilities allow us to model and quantify geometric uncertainties on reconstructed submanifolds, such as the interpolated surfaces of cerebral aneurysms provided by postprocessing CT scans. In addition to offering benefits in these specific domains, the proposed techniques transcend specific applications and generalize to arbitrary forward and backward problems in uncertainty quantification involving finite elements.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Predicting boron coordination in multicomponent borate and borosilicate glasses using analytical models and machine learning

Accurate prediction of boron coordination in multicomponent glasses is critical in glass science and technology as it strongly affects the properties of borate and borosilicate glasses. We have collected a dataset containing 657 glasses from literature with boron coordination values and developed models using analytical functions based on the well accepted Dell, Xiao and Bray model. Good prediction of boron coordination with a R 2 value higher than 0.8 was obtained. The large variation of boron coordination from experiments, originated from sample preparations and characterizations, led to difficulties in obtaining models with better prediction performance. Various machine learning (ML) algorithms were evaluated and slightly better prediction performance was observed; however, interpretation of the ML models is less straight forward. In conclusion, this study developed various models capable of providing quantitative boron coordination predictions, providing insights into its structural roles in multi-component glasses, and suggesting fruitful areas for future research.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Optimization Stability in Excited-State-Specific Variational Monte Carlo

Here, we investigate the issue of optimization stability in variance-based state-specific variational Monte Carlo, discussing the roles of the objective function, the complexity of wave function ansatz, the amount of sampling effort, and the choice of minimization algorithm. Using a small cyanine dye molecule as a test case, we systematically perform minimizations using variants of the linear method as both a standalone algorithm and in a hybrid combination with accelerated descent. We demonstrate that adaptive step control is crucial for maintaining the linear method's stability when optimizing complicated wave functions and that the hybrid method enjoys both greater stability and minimization performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Autoregressive Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation

The theory of open quantum systems lays the foundation for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this Letter, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure, we compactly represent quantum states with autoregressive neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of string states to partially restore the symmetry of the autoregressive neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one-dimensional and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo method to sample restricted Boltzmann machines. Our Letter provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Experimental quantum learning of a spectral decomposition

Currently available quantum hardware allows for small-scale implementations of quantum machine learning algorithms. Such experiments aid the search for applications of quantum computers by benchmarking the near-term feasibility of candidate algorithms. Here we demonstrate the quantum learning of a two-qubit unitary by a sequence of three parameterized quantum circuits containing a total of 21 variational parameters. Moreover, we variationally diagonalize the unitary to learn its spectral decomposition, i.e., its eigenvalues and eigenvectors. We illustrate how this can be used as a subroutine to compress the depth of dynamical quantum simulations. One can view our implementation as a demonstration of entanglement-enhanced machine learning, as only a single (entangled) training data pair is required to learn a 4 × 4 unitary matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Feasible Actuator Range Modifier (FARM), a Tool Aiding the Solution of Unit Dispatch Problems for Advanced Energy Systems

Integrated energy systems (IESs) seek to minimize power generating costs in future power grids through the coupling of different energy technologies. To accommodate fluctuations in load demand due to the penetration of renewable energy sources, flexible operation capabilities must be fully exploited, and even power plants that are traditionally considered as base-load units need to be operated according to unconventional paradigms. Thermomechanical loads induced by frequent power adjustments can accelerate the wear and tear. If a unit is flexibly operated without respecting limits on materials, the risk of failures of expensive components will eventually increase, nullifying the additional profits ensured by flexible operation. In addition to the bounds on power variations (explicit constraints),the solution of the unit dispatch problem needs to meet the limits on the variation of key process variables, including temperature, pressure and flow rate (implicit constraints).The FARM (Feasible Actuator Range Modifier) module was developed to enable existing optimization algorithms to identify solutions to the unit dispatch problem that are both economically favorable and technologically sustainable. Thanks to the iterative dispatcher–validator scheme, FARM permits addressing all the imposed constraints without excessively increasing the computational costs. In this work, the algorithms constituting the module are described, and the performance was assessed by solving the unit dispatch problem for an IES composed of three units, i.e., balance of plant, gas turbine, and high-temperature steam electrolysis. Finally, the FARM module provides dedicated tools for visualizing the response of the constrained variables of interest during operational transients and a tool aiding the operator at making decisions. These techniques might represent the first step towards the deployment of an ecological interface design (EID) for IES units.

47 OTHER INSTRUMENTATION↗

NASA NTRS1973

Optimal control of a variable spin speed CMG system for space vehicles

Many future NASA programs require very high accurate pointing stability. These pointing requirements are well beyond anything attempted to date. This paper suggests a control system which has the capability of meeting these requirements. An optimal control law for the suggested system is specified. However, since no direct method of solution is known for this complicated system, a computation technique using successive approximations is used to develop the required solution. The method of calculus of variations is applied for estimating the changes of index of performance as well as those constraints of inequality of state variables and terminal conditions. Thus, an algorithm is obtained by the steepest descent method and/or conjugate gradient method. Numerical examples are given to show the optimal controls.

Liu, T. C.↗

NASA NTRS1985

Generalized formulation of a class of explicit and implicit TVD schemes

A one parameter family of second order explicit and implicit total variation diminishing (TVD) schemes is reformulated so that a simpler and wider group of limiters is included. The resulting scheme can be viewed as a symmetrical algorithm with a variety of numerical dissipation terms that are designed for weak solutions of hyperbolic problems. This is a generalization of Roe and Davis's recent works to a wider class of symmetric schemes other than Lax-Wendroff. The main properties of the present class of schemes are that they can be implicit, and when steady state calculations are sought, the numerical solution is independent of the time step.

Yee, H. C.↗

NASA NTRS1987

A new method of boundary parameter estimation for a two-dimensional diffusion system under noisy observations

The purpose of this paper is to establish a method for identifying unknown parameters involved in the boundary state of a class of diffusion systems under noisy observations. A mathematical model of the system dynamics is given by a two-dimensional diffusion equation. Noisy observations are made by sensors allocated on the system boundary. Starting with the mathematical model mentioned above, an online parameter estimation algorithm is proposed within the framework of the maximum likelihood estimation. Existence of the optimal solution and related necessary conditions are discussed. By solving a local variation of the cost functional with respect to the perturbation of parameters, the estimation mechanism is proposed in a form of recursive computations. Finally, the feasibility of the estimator proposed here is demonstrated through results of digital simulation experiments.

Sunahara, Y.↗

NASA NTRS1988

A method of boundary parameter estimation for a two-dimensional diffusion system under noisy observations

Sunahara, Y.↗

NASA NTRS2001

Combining TOPEX and SeaWinds Data to Refine Models for Ocean Surface Emissivity: Wind Vector Signatures at 18, 21 and 37 GHz

TOPEX Microwave Radiometer (TMR) brightness temperature observations at 18, 21, and 37 GHz have been collocated with near-simultaneous SeaWinds wind vector data as well as with a monthly SST climatological product. The combined data set allows us to study the dependence of ocean surface emissivity (at each frequency) upon both wind speed. Results show clear two-branch wind speed dependence; weak and linear below 6 m/s with an abrupt increase in sensitivity above that point. The analysis also shows that the zenith-directed ocean surface emissivity is polarization dependent above wind speeds of 5-6 m/s with an azimuthal variation related to the wind direction. This last result accords with recent polarimetric radiometer observations collected from aircraft. Implications of these observations to water vapor retrieval algorithms, nadir-viewing polarimetry, and ocean emission modeling will be discussed.

Vandemark, D.↗

NASA NTRS2003

Lightning and Other Influences On Tropical Tropospheric Ozone: Empirical Studies of Covariation

Tropical and subtropical tropospheric ozone are important radiatively active species, with particularly large effects in the upper third of the troposphere. Temporal variability of O3 has proved difficult to simulate day by day in process models. Thus, individual roles of lightning, biomass burning, and other pollution in providing precursor NO(x), radicals, and chain carriers (CO, hydrocarbons) remain unquantified by simulation, and it is theoretically reasonable that individual roles are magnified by a joint synergy. We use wavelet analysis and Burg-algorithm maximum entropy spectral analyses to describe time-scales and correlation of ozone with proxies for processes controlling its concentration. Our empirical studies link time variations apparent in several datasets: the SHADOZ (Southern Hemisphere Additional Ozonesondes) network stations (Nairobi, Fiji), and auxiliary series with power to explain ozone-determining processes, with some interpretation based on the TTO (Tropical Tropospheric Ozone) product derived from TOMS (the Total Ozone Mapping Spectrometer). The auxiliary series are The OTD/LIS(Optical Transient Detector/Lightning Imaging Sensor) measurements of the lightning NO(x) source, the OLR (Outgoing Longwave Radiation)measurement of high-topped clouds, and standard meteorological variables from the United States NCEP (National Centers for Environmental Prediction) and Data Assimilation Office analyses. Concentrating on equatorial ozone, we compare the statistical evidence on the variability of tropospheric ozone. Important variations occur on approximately two-week, two-month (Madden-Julian Oscillation) and annual scales, and relations with OLR suggest controls associated with continental clouds. Hence we are now using the Lightning Imaging Sensor data set to indicate NO(x) sources. We report initial results defining relative roles of the process mentioned affecting O3 using their covariance properties.

Chatfield, Robert B.↗

NASA NTRS2004

Argumentation for coordinating shared activities

an increasing need for space missions to be able to collaboratively (and competitively) develop plans both within and across missions. In addition, interacting spacecraft that interleave onboard planning and execution must reach consensus on their commitments to each other prior to execution. In domains where missions have varying degrees of interaction and different constraints on communication and computation, the missions will require different coordination protocols in order to efficiently reach consensus with in their imposed deadlines. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities over the lifetimes of multiple agents and a foundation for customizing protocols for negotiating planner interactions. We investigate variations of a few simple protocols based on argumentation and distributed constraints satisfaction techniques and evaluate their abilities to reach consistent solutions according to computation, time, and communication costs in an abstract domain where spacecraft propose joint measurements.

Mars↗

NASA NTRS2007

Stationkeeping for the Lunar Reconnaissance Orbiter (LRO)

The Lunar Reconnaissance Orbiter (LRO) is scheduled to launch in 2008 as the first mission under NASA's Vision for Space Exploration. Follo wing several weeks in a quasi-frozen commissioning orbit, LRO will fl y in a 50 km mean altitude lunar polar orbit. During the one year mis sion duration, the orbital dynamics of a low lunar orbit force LRO to perform periodic sets of stationkeeping maneuvers. This paper explor es the characteristics of low lunar orbits and explains how the LRO s tationkeeping plan is designed to accommodate the dynamics in such an orbit. The stationkeeping algorithm used for LRO must meet five miss ion constraints. These five constraints are to maintain ground statio n contact during maneuvers, to control the altitude variation of the orbit, to distribute periselene equally between northern and southern hemispheres, to match eccentricity at the beginning and the end of the sidereal period, and to minimize stationkeeping (Delta)V. This pape r addresses how the maneuver plan for LRO is designed to meet all of the above constraints.

Beckman, Mark↗

NASA NTRS2020

A Path Towards Quantum Advantage in Training Deep Generative Models with Quantum Annealing

A class of quantum-classical hybrid machine-learning algorithms can be obtained by integrating classical deep generative models with quantum probability distributions as 'priors' over their latent variables. We introduce a hybrid implementation of variational autoencoders (QVAE) and also present a technique to hybridize flow-based invertible generative models. We demonstrate the use of D-Wave quantum annealers as physical simulators of quantum Boltzmann machines (QBM) to perform quantum-assisted training of QVAE. Latent-space QBM develop slowly mixing modes, opening a path to obtain quantum advantage in generative modeling with available quantum devices.

Vinci, Walter↗

NASA NTRSDate not supplied

NASA's Moon to Mars Autonomous Habitat Status

NASA is developing a strategy for sending humans to the Mars vicinity, known broadly as the Moon to Mars (M2M) Campaign. A critical part of this campaign is the development of in-space and surface habitation systems capable of substantially extending human presence beyond Low Earth Orbit (LEO). Mars missions feature an in-space transit habitat capable of supporting crews of four on ~850-1200-day missions, including transit to and from Mars and time in Mars orbit. Surface and transit habitats are complex elements which must keep crewmembers healthy and productive in deep-space environments with limited resources, long rescue times in contingency situations, and communication delays; all within constrained mass, volume, and power budgets. These habitats provide crew both living and workspace as well as most of the resources needed to support crew life. For deep space habitats, automation needs to be employed due to latency and for significant amounts of time when the habitats are uncrewed. Automation of systems is possible in space applications, but there are limitations. Outside of the Earth’s (or any) magnetosphere, radiation environments are harsh to both the physical hardware and the software components. Radiation (charged particles and ionizing electromagnetic waves) degrades and damages the hardware and causes single event upsets (SEUs) in software. If the hardware is damaged, data can be lost, or control actions not made. For software, SEUs cause algorithms to result in different solutions, or incorrect commands to be sent out. This means that algorithms and hardware used for deep space systems are different than what is used on Earth. Radiation-tolerant hardware is generations behind the current state-of-the-art hardware. Recent NASA missions, such as James Webb Space Telescope, continue to rely on older technologies such as the RAD750 processor, and the most advanced processors are still single core and less than 1.5 GHz. There have been attempts to use higher performance processors, but these often take multiple mitigation steps to handle the radiation environments, which limits the processing power and/or throughput. Current techniques for radiation mitigation have been redundancies, voting, physical separation of hardware, encasing materials, under-clocking hardware, and more. Some radiation mitigation techniques do provide benefits such as having a redundant system to improve the probability that a system will be available when needed. Autonomous software systems will have fewer interactions with humans on deep space missions and therefore need to be able to handle more off-nominal conditions. Microgravity also complicates the autonomous aspects of the mission because autonomous systems are usually built from known deterministic states, but microgravity causes physical objects to shift and move changing the location an autonomous system placed the object. Not only does the software need to be reliable and deterministic, losing resources due to a software error is not only costly but detrimental to reputation. The combination of having lower performance hardware and having to be able to verify and deterministically run software and an ever-changing environment makes deep space autonomous systems more complicated. Multiple gaps have been identified including verification of autonomous software algorithms (including artificial intelligence and machine learning), higher performance processors (graphics and general purpose), high speed networks (onboard and transmissions), memory, power distribution, data security, and variations from these. These gaps need to be closed for more advanced systems to be deployed and reduce the size, weight, and power impacts on the habitats.

Scott B. Tashakkor↗

DOE OSTI2022

Ultrasound waveform tomography with spatial and edge regularization

Synthetic-aperture ultrasound tomography systems and methods using scanning arrays and algorithms configured to simultaneously acquire ultrasound transmission and reflection data, and process the data for improved ultrasound tomography imaging, wherein the tomography imaging comprises total-variation regularization, or a modified total variation regularization, particularly with edge-guided or spatially variant regularization.

Huang, Lianjie↗