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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Alternative regularizations for Outer-Approximation algorithms for convex MINLP

In this work, we extend the regularization framework from Kronqvist et al. (Math Program 180(1):285–310, 2020) by incorporating several new regularization functions and develop a regularized single-tree search method for solving convex mixed-integer nonlinear programming (MINLP) problems. We propose a set of regularization functions based on distance metrics and Lagrangean approximations, used in the projection problem for finding new integer combinations to be used within the Outer-Approximation (OA) method. The new approach, called Regularized Outer-Approximation (ROA), has been implemented as part of the open-source Mixed-integer nonlinear decomposition toolbox for Pyomo—MindtPy. We compare the OA method with seven regularization function alternatives for ROA. Moreover, we extend the LP/NLP Branch and Bound method proposed by Quesada and Grossmann (Comput Chem Eng 16(10–11):937–947, 1992) to include regularization in an algorithm denoted RLP/NLP. We provide convergence guarantees for both ROA and RLP/NLP. Finally, we perform an extensive computational experiment considering all convex MINLP problems in the benchmark library MINLPLib. The computational results show clear advantages of using regularization combined with the OA method.

Convex Mixed-integer nonlinear programming↗
NASA NTRS1996

User-Centered Indexing for Adaptive Information Access

We are focusing on information access tasks characterized by large volume of hypermedia connected technical documents, a need for rapid and effective access to familiar information, and long-term interaction with evolving information. The problem for technical users is to build and maintain a personalized task-oriented model of the information to quickly access relevant information. We propose a solution which provides user-centered adaptive information retrieval and navigation. This solution supports users in customizing information access over time. It is complementary to information discovery methods which provide access to new information, since it lets users customize future access to previously found information. It relies on a technique, called Adaptive Relevance Network, which creates and maintains a complex indexing structure to represent personal user's information access maps organized by concepts. This technique is integrated within the Adaptive HyperMan system, which helps NASA Space Shuttle flight controllers organize and access large amount of information. It allows users to select and mark any part of a document as interesting, and to index that part with user-defined concepts. Users can then do subsequent retrieval of marked portions of documents. This functionality allows users to define and access personal collections of information, which are dynamically computed. The system also supports collaborative review by letting users share group access maps. The adaptive relevance network provides long-term adaptation based both on usage and on explicit user input. The indexing structure is dynamic and evolves over time. Leading and generalization support flexible retrieval of information under similar concepts. The network is geared towards more recent information access, and automatically manages its size in order to maintain rapid access when scaling up to large hypermedia space. We present results of simulated learning experiments.

Chen, James R.↗
NASA NTRS1993

Facilitating access to information in large documents with an intelligent hypertext system

Retrieving specific information from large amounts of documentation is not an easy task. It could be facilitated if information relevant in the current problem solving context could be automatically supplied to the user. As a first step towards this goal, we have developed an intelligent hypertext system called CID (Computer Integrated Documentation) and tested it on the Space Station Freedom requirement documents. The CID system enables integration of various technical documents in a hypertext framework and includes an intelligent context-sensitive indexing and retrieval mechanism. This mechanism utilizes on-line user information requirements and relevance feedback either to reinforce current indexing in case of success or to generate new knowledge in case of failure. This allows the CID system to provide helpful responses, based on previous usage of the documentation, and to improve its performance over time.

Mathe, Nathalie↗
DOE OSTI2024

Perspective on Solar Energy Materials, Design and Discovery, Defects, Disorder, and Interfaces

The energy transition still faces a daunting math. Currently, more than three quarters of final energy consumption occurs in form of fuels vs less than one quarter in electricity. On the other hand, renewable energy additions come almost exclusively in the form of electricity (dominantly photovoltaics and wind). Thus, meeting the terawatt challenge requires enormous growth in renewables, sufficient to convert excess electricity into fuels, as well as the development of non-electricity based solar fuel technologies, for example via solar thermochemical routes. In this presentation, we will review successes and challenges in photovoltaic materials from silicon to CdTe to halide perovskites and potential emerging materials, with a particular perspective on the role of first principles calculations and predictions. Materials design and discovery is evolving to incorporate defects, disorder, and interfaces. These phenomena play also an important role in the thermochemical generation of hydrogen, allowing to utilize synergies between renewable electricity and fuels in computational research. At the same time, machine learning approaches are increasingly geared toward properties of non-ideal materials, for example defect formation, allowing the screening for more complex material behavior as needed for the respective applications.

fuels↗
DOE OSTI2024

A graphics processing unit accelerated sparse direct solver and preconditioner with block low rank compression

We present the GPU implementation efforts and challenges of the sparse solver package STRUMPACK. The code is made publicly available on github with a permissive BSD license. STRUMPACK implements an approximate multifrontal solver, a sparse LU factorization which makes use of compression methods to accelerate time to solution and reduce memory usage. Multiple compression schemes based on rank-structured and hierarchical matrix approximations are supported, including hierarchically semi-separable, hierarchically off-diagonal butterfly, and block low rank. Here, in this paper, we present the GPU implementation of the block low rank (BLR) compression method within a multifrontal solver. Our GPU implementation relies on highly optimized vendor libraries such as cuBLAS and cuSOLVER for NVIDIA GPUs, rocBLAS and rocSOLVER for AMD GPUs and the Intel oneAPI Math Kernel Library (oneMKL) for Intel GPUs. Additionally, we rely on external open source libraries such as SLATE (Software for Linear Algebra Targeting Exascale), MAGMA (Matrix Algebra on GPU and Multi-core Architectures), and KBLAS (KAUST BLAS). SLATE is used as a GPU-capable ScaLAPACK replacement. From MAGMA we use variable sized batched dense linear algebra operations such as GEMM, TRSM and LU with partial pivoting. KBLAS provides efficient (batched) low rank matrix compression for NVIDIA GPUs using an adaptive randomized sampling scheme. The resulting sparse solver and preconditioner runs on NVIDIA, AMD and Intel GPUs. Interfaces are available from PETSc, Trilinos and MFEM, or the solver can be used directly in user code. We report results for a range of benchmark applications, using the Perlmutter system from NERSC, Frontier from ORNL, and Aurora from ALCF. For a high frequency wave equation on a regular mesh, using 32 Perlmutter compute nodes, the factorization phase of the exact GPU solver is about 6.5× faster compared to the CPU-only solver. The BLR-enabled GPU solver is about 13.8× faster than the CPU exact solver. For a collection of SuiteSparse matrices, the STRUMPACK exact factorization on a single GPU is on average 1.9× faster than NVIDIA’s cuDSS solver.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Implications of new Reasoning Capabilities for Science and Security: Results from a Quick Initial Study

On Thursday, September 12 OpenAI released “a new series of models designed to spend more time thinking… they can reason through complex tasks and solve harder problems than previous models in science, coding, and math.” These models are referred to as o1-preview and o1-mini and appear to be first results of what had been a closely held project called Strawberry within OpenAI. The models are not described as successors in the earlier GPT series because they provide a qualitatively different type of capability, especially step-by-step reasoning.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

The computer integrated documentation project: A merge of hypermedia and AI techniques

To generate intelligent indexing that allows context-sensitive information retrieval, a system must be able to acquire knowledge directly through interaction with users. In this paper, we present the architecture for CID (Computer Integrated Documentation). CID is a system that enables integration of various technical documents in a hypertext framework and includes an intelligent browsing system that incorporates indexing in context. CID's knowledge-based indexing mechanism allows case based knowledge acquisition by experimentation. It utilizes on-line user information requirements and suggestions either to reinforce current indexing in case of success or to generate new knowledge in case of failure. This allows CID's intelligent interface system to provide helpful responses, based on previous experience (user feedback). We describe CID's current capabilities and provide an overview of our plans for extending the system.

Mathe, Nathalie↗
NASA NTRS1988

High-speed assembly language (80386/80387) programming for laser spectra scan control and data acquisition providing improved resolution water vapor spectroscopy

An assembly language program using the Intel 80386 CPU and 80387 math co-processor chips was written to increase the speed of data gathering and processing, and provide control of a scanning CW ring dye laser system. This laser system is used in high resolution (better than 0.001 cm-1) water vapor spectroscopy experiments. Laser beam power is sensed at the input and output of white cells and the output of a Fabry-Perot. The assembly language subroutine is called from Basic, acquires the data and performs various calculations at rates greater than 150 faster than could be performed by the higher level language. The width of output control pulses generated in assembly language are 3 to 4 microsecs as compared to 2 to 3.7 millisecs for those generated in Basic (about 500 to 1000 times faster). Included are a block diagram and brief description of the spectroscopy experiment, a flow diagram of the Basic and assembly language programs, listing of the programs, scope photographs of the computer generated 5-volt pulses used for control and timing analysis, and representative water spectrum curves obtained using these programs.

Allen, Robert J.↗
NASA NTRS1992

Increasingly automated procedure acquisition in dynamic systems

Procedures are widely used by operators for controlling complex dynamic systems. Currently, most development of such procedures is done manually, consuming a large amount of paper, time, and manpower in the process. While automated knowledge acquisition is an active field of research, not much attention has been paid to the problem of computer-assisted acquisition and refinement of complex procedures for dynamic systems. The Procedure Acquisition for Reactive Control Assistant (PARC), which is designed to assist users in more systematically and automatically encoding and refining complex procedures. PARC is able to elicit knowledge interactively from the user during operation of the dynamic system. We categorize procedure refinement into two stages: diagnosis - diagnose the failure and choose a repair - and repair - plan and perform the repair. The basic approach taken in PARC is to assist the user in all steps of this process by providing increased levels of assistance with layered tools. We illustrate the operation of PARC in refining procedures for the control of a robot arm.

Mathe, Nathalie↗
NASA NTRS2018

6DOF Testing of the SLS Inertial Navigation Unit

The Navigation System on the NASA Space Launch System (SLS) Block 1 vehicle performs initial alignment of the Inertial Navigation System (INS) navigation frame through gyrocompass alignment (GCA). Because the navigation architecture for the SLS Block 1 vehicle is a purely inertial system, the accuracy of the achieved orbit relative to mission requirements is very sensitive to initial alignment accuracy. The assessment of this sensitivity and many others via simulation is a part of the SLS Model-Based Design and Model-Based Requirements approach. As a part of the aforementioned, 6DOF Monte Carlo simulation is used in large part to develop and demonstrate verification of program requirements. To facilitate this and the GN&C flight software design process, an SLS-Program-controlled Design Math Model (DMM) of the SLS INS was developed by the SLS Navigation Team. The SLS INS model implements all of the key functions of the hardware-namely, GCA, inertial navigation, and FDIR (Fault Detection, Isolation, and Recovery)-in support of SLS GN&C design requirements verification. Despite the strong sensitivity to initial alignment, GCA accuracy requirements were not verified by test due to program cost and schedule constraints. Instead, the system relies upon assessments performed using the SLS INS model. In order to verify SLS program requirements by analysis, the SLS INS model is verified and validated against flight hardware. In lieu of direct testing of GCA accuracy in support of requirement verification, the SLS Navigation Team proposed and conducted an engineering test to, among other things, validate the GCA performance and overall behavior of the SLS INS model through comparison with test data. This paper will detail dynamic hardware testing of the SLS INS, conducted by the SLS Navigation Team at Marshall Space Flight Center's 6DOF Table Facility, in support of GCA performance characterization and INS model validation. A 6-DOF motion platform was used to produce 6DOF pad twist and sway dynamics while a simulated SLS flight computer communicated with the INS. Tests conducted include an evaluation of GCA algorithm robustness to increasingly dynamic pad environments, an examination of GCA algorithm stability and accuracy over long durations, and a long-duration static test to gather enough data for Allan Variance analysis. Test setup, execution, and data analysis will be discussed, including analysis performed in support of SLS INS model validation.

Geohagan, Kevin↗
DOE OSTI2023

Python-Cubit ® Enhancement Scripts: 16.14

The Python-Cubit ® enhancement code base is intended to be used as an extension to already existing Cubit ® functionality. It provides the user with a number of functionalities that are either currently outside the realm of the python functions which Cubit ® supplies internally (such as vector math), or that are comprised of commonly used combinations of already existing python functionalities (such as removing a full round from a slot cut). The foreseen style of use for many of these scripts is to utilize volume names and geometric data such as surface area, surface type, etc. as a way to filter out geometries, and provide a powerful id-less method. These filters combined with a number of already existing python functionalities such as the set() operator and zip() function can be used to operate on many geometries at a single time without a need for the user to manually select them or use their ids. Please refer to the example given in the documents examples section for a demonstration of the work flow.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2018

CAIDA CUI Confirmation for OMRS & LCC SOCRRATES Emulator and iSEE Upgrade, Operations, & Analysis

This internship has focused on providing solutions for the Customer Avionics Interface Development and Analysis (CAIDA) subsystem. The main emulator that has been used during this internship is the Software-Only CEV (Crew Exploration Vehicle) Risk Reduction Analysis and Test Engineering Simulator (SOCRRATES). This emulator uses advanced math and physics methods to simulate specific points in a mission, such as ascent, entry, and orbit. Exploration Ground Systems (EGS) must ensure that all KSC based ground systems can be properly integrated with the flight vehicle software, therefore, the Modeling and Simulation Branch (NE-XM) of the KSC (Kennedy Space Center) Engineering Directorate supports a virtual environment that simulates the interface between ground systems and the flight vehicle. A primary component in assuring that is knowing whether the emulators have incorporated the correct CUIs (Compact Unique Identifiers) into their system, as well as understanding both the static and dynamic responses of the individual CUIs. Also, an effort for verification of Operational Maintenance Requirements Specifications (OMRS) and Launch Commit Criteria (LCC) that are supported by SOCRRATES for the Orion Crew Module were part of the project tasks this semester. This internship also focused on comparing two different simulation Commercial-off-the-shelf (COTS) products and to determine whether or not a COTS package was a viable replacement for the current software that the iSEE (Immersive Simulations and Engineering Environment) lab uses. Upon research and testing, I found that this software was not feasible for the lab. It could not easily load CAD (Computer-Aided Design) or CREO models, give live feedback while the user is in the environment, and was not compatible with a virtual reality headset, all of which are necessary for the lab.

Bundy, Caleb↗
DOE OSTI2026

Diagonal state designs with reconfigurable real-time circuits

Unitary designs are widely used in quantum computation, but in many practical settings it suffices to construct a diagonal state design generated with unitary gates diagonal in the computational basis. In this work, we introduce a simple and efficient diagonal state 3-design based on real-time evolutions under 2-local Hamiltonians. Our construction is inspired by the classical Girard-Hutchinson trace estimator in that it involves the stochastic preparation of many random-phase states. Though the exact Girard-Hutchinson states are not tractably implementable on a quantum computer, we can construct states that match the statistical moments of the Girard-Hutchinson states with real-time evolution. Importantly, our random states are all generated using the same Hamiltonians for real-time evolution, with the randomness arising solely from stochastic variations in the durations of the evolutions. In this sense, the circuit is fully reconfigurable and thus suited for near-term realizations on both digital and analog platforms. Moreover, we show how to extend our construction to achieve diagonal state designs of arbitrarily high order.

Shen, Yizhi [LBL, Berkeley] (ORCID:000000024160548↗
NASA NTRS1994

A hypertext system that learns from user feedback

Retrieving specific information from large amounts of documentation is not an easy task. It could be facilitated if information relevant in the current problem solving context could be automatically supplied to the user. As a first step towards this goal, we have developed an intelligent hypertext system called CID (Computer Integrated Documentation). Besides providing an hypertext interface for browsing large documents, the CID system automatically acquires and reuses the context in which previous searches were appropriate. This mechanism utilizes on-line user information requirements and relevance feedback either to reinforce current indexing in case of success or to generate new knowledge in case of failure. Thus, the user continually augments and refines the intelligence of the retrieval system. This allows the CID system to provide helpful responses, based on previous usage of the documentation, and to improve its performance over time. We successfully tested the CID system with users of the Space Station Freedom requirements documents. We are currently extending CID to other application domains (Space Shuttle operations documents, airplane maintenance manuals, and on-line training). We are also exploring the potential commercialization of this technique.

Mathe, Nathalie↗
NASA NTRS2003

Software Helps Retrieve Information Relevant to the User

The Adaptive Indexing and Retrieval Agent (ARNIE) is a code library, designed to be used by an application program, that assists human users in retrieving desired information in a hypertext setting. Using ARNIE, the program implements a computational model for interactively learning what information each human user considers relevant in context. The model, called a "relevance network," incrementally adapts retrieved information to users individual profiles on the basis of feedback from the users regarding specific queries. The model also generalizes such knowledge for subsequent derivation of relevant references for similar queries and profiles, thereby, assisting users in filtering information by relevance. ARNIE thus enables users to categorize and share information of interest in various contexts. ARNIE encodes the relevance and structure of information in a neural network dynamically configured with a genetic algorithm. ARNIE maintains an internal database, wherein it saves associations, and from which it returns associated items in response to a query. A C++ compiler for a platform on which ARNIE will be utilized is necessary for creating the ARNIE library but is not necessary for the execution of the software.

Mathe, Natalie↗
DOE OSTI2025

An Image-Plane Approach to Gravitational Lens Modeling of Interferometric Data

Strong gravitational lensing acts as a cosmic telescope, enabling the study of the high-redshift universe. Astronomical interferometers, such as the Atacama Large Millimeter/submillimeter Array (ALMA), have provided high-resolution images of strongly lensed sources at millimeter and submillimeter wavelengths. To model the mass and light distributions of lensing and source galaxies from strongly lensed images, strong lens modeling for interferometric observations is conventionally performed in the visibility space, which is computationally expensive. In this paper, we implement an image-plane lens modeling methodology for interferometric dirty images by accounting for noise correlations. We show that the image-plane likelihood function produces accurate model values when tested on simulated ALMA observations with an ensemble of noise realizations. We also apply our technique to ALMA observations of two sources selected from the South Pole Telescope survey, comparing our results with previous visibility-based models. Our model results are consistent with previous models for both parametric and pixelated source-plane reconstructions. We implement this methodology for interferometric lens modeling in the open-source software package lenstronomy.

Zhang, Nan [Illinois U., Urbana (main)] (ORCID:000↗
DOE OSTI2020

Solving Coupled Cluster Equations by the Newton Krylov Method

We describe using the Newton Krylov method to solve the coupled cluster equation. The method uses a Krylov iterative method to compute the Newton correction to the approximate coupled cluster amplitude. The multiplication of the Jacobian with a vector, which is required in each step of a Krylov iterative method such as the Generalized Minimum Residual (GMRES) method, is carried out through a finite difference approximation, and requires an additional residual evaluation. The overall cost of the method is determined by the sum of the inner Krylov and outer Newton iterations. We discuss the termination criterion used for the inner iteration and show how to apply pre-conditioners to accelerate convergence. We will also examine the use of regularization technique to improve the stability of convergence and compare the method with the widely used direct inversion of iterative subspace (DIIS) methods through numerical examples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Modeling of large-amplitude high-angle-of-attack maneuvers

Results from a simulation study to characterize and model rapid, large-amplitude high-angle-of-attack maneuvers of high performance aircraft are summarized. There is concern that conventional aerodynamic math models combining static and small-amplitude demping data may be deficient in properly representing the associated aerodynamics to allow accurate prediction of these types of motion. The objectives of this investigation were: (1) to characterize these maneuvers in order to establish the aerodynamic modeling requirements, (2) to define refinements to address these requirements, and (3) to examine the impact of these refinements on the calculated motions. The results show that accurate modeling of the dynamic terms is vital due to the very high angular rates generated during these maneuvers. It was found that the addition of dynamic terms to include the lateral acceleration derivatives and the rotary aerodynamics can in some cases significantly affect the simulated flight motions.

Angle of attack↗