Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computational paradigms”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

An Adaptive Geometry-Free Thermo-Mechanical Model for Directed Energy Deposition Process Modeling

This presentation describes a novel, geometry-free thermo-mechanical model with adaptive subdomain con- struction to accurately predict the thermal conditions, distortions, and residual stresses throughout the directed energy deposition (DED) process. A novel finite element workflow is designed to con- duct the numerical analysis, based on the multi-app and data transfer capabilities in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE). Unlike with traditional methods, the part geometry in this model is not predefined. Instead, it is a combined effect of the processing parameters and material properties. At each time step, the model utilizes a subdomain construction paradigm to model the material deposition. A specialized mesh adaptivity scheme is incorporated to provide an accurate prediction while reducing the overall computational cost. The results generated by the proposed model show general agreement with the experimental measurements for the single track scan with varying processing parameters and demonstrate reasonable predictions for higher material buildups.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Interlaced Characterization and Calibration (ICC) for Improved Computational Simulation Credibility

Accurate material characterization and model calibration are pivotal for simulations used for high-consequence engineering decisions. Current characterization and calibration methods (1) use simplified test specimen geometries and global data, (2) cannot guarantee that sufficient characterization data is collected for a specific model of interest, (3) provide only mean parameter values with no uncertainty quantification, and (4) are sequential, inflexible, and time-consuming. This work developed a new paradigm—coined Interlaced Characterization and Calibration (ICC)—which drives forward the state-of-the-art in model calibration by bringing together recent advancements into one improved workflow. The ICC paradigm (1) employs tools to efficiently use full-field data to calibrate high-fidelity material models, (2) aligns the data needed with the data collected by adopting an optimal experimental design protocol, (3) provides uncertainty metrics on the calibrated model parameters, and (4) incorporates these advances into a quasi real-time feedback loop. The ICC framework was validated synthetically with both low-fidelity and high-fidelity simulations paired with several different elastoplastic material models, and was also demonstrated experimentally with an aluminum 6061 cruciform exemplar specimen. Results showed that the ICC framework—in which Bayesian optimal experimental design actively guided the experiment— resulted in calibrations with similar or better accuracy than predetermined experiments based on subject matter expertise. Moreover, the ICC framework produced a complete model calibration— with quantified uncertainties on model parameters—in 1 week, a 5 - 10× increase in efficiency over traditional approaches. Thus, the ICC paradigm improves both the calibration process and quality, by (1) improving efficiency, which increases agility of solid mechanics modeling and enables utilization of computational simulation (CompSim) at earlier stages of the design cycle and (2) providing quantified, and in some cases reduced, parameter uncertainties, which increases confidence in model predictions and supports credible decision making.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Analytical gradient-based optimization of CALPHAD model parameters

The calibration of CALPHAD (CALculation of PHAse Diagrams) models involves the solution of a very challenging high-dimensional multiobjective optimization problem. Traditional approaches to parameter fitting predominantly rely on gradient-free methods, which while robust, are computationally inefficient and often scale poorly with model complexity. In this work, we introduce and demonstrate a generalizable framework for analytic gradient-based optimization of the parameters of the CALPHAD model enabled by the recently formalized Jansson derivative technique. This method allows for efficient evaluation of gradients of thermodynamic properties at equilibrium with respect to model parameters, even in the presence of arbitrarily complex internal degrees of freedom. Leveraging these semi-analytic gradients, we employ the conjugate gradient (CG) method to optimize thermodynamic model parameters for four binary alloy systems: Cu-Mg, Fe-Ni, Cr-Ni, and Cr-Fe. Across all systems, CG achieves comparable or superior optimality relative to Bayesian ensemble Markov Chain Monte Carlo (MCMC) with improvements in computational efficiency ranging from one to three orders of magnitude. Furthermore, our results establish a new paradigm for CALPHAD assessments in which high fidelity data-rich model calibration becomes tractable using deterministic gradient-informed algorithms.

CALPHAD↗
DOE OSTI2025

Light-Promoted C(sp 3 )–C(sp 3 ) Reductive Elimination from Dialkyl NiII Complexes

Ni-catalyzed cross-coupling is a powerful strategy to forge C(sp 3 )–C(sp 3 ) bonds. Typically, to do so requires overcoming a challenging C–C bond-forming reductive elimination, often enabled by the intermediacy of highly oxidized Ni species or outer-sphere processes. While direct C(sp 3 )–C(sp 3 ) reductive elimination from the Ni II base oxidation state is normally thermally inaccessible, light-activation provides an avenue to affect such transformations. Here, we investigate the mechanism of light-induced C(sp 3 )–C(sp 3 ) bond formation from dialkyl bipyridine Ni II complexes through a variety of organometallic, spectroscopic, and computational studies. Wavelength-dependent quantum yields, ligand electronics–reactivity relationships, excited-state lifetimes, computed barriers, and product distributions from crossover studies support a photolysis/radical rebound mechanism. Furthermore, this reactivity paradigm complements existing strategies in the literature to promote reductive elimination from Ni II , such as the use of destabilizing, sterically hindered ligands and reduction of electron density at Ni through the binding of electron-deficient olefins. Hence, we envision that light-induced reductive elimination may enable the development of challenging C(sp 3 )–C(sp 3 ) couplings.

Alkyls↗
DOE OSTI2023

Detection of System Drift for the Health Monitoring of an X-ray CT Scientific Instrument

This SE296 Capstone Project technical report is being submitted as a final requirement of the UCSD Master of Science in Structural Engineering with specialization in Structural Health Monitoring (SHM) and Nondestructive Evaluation (NDE). The Capstone provides students the opportunity to apply knowledge in their technology areas towards the solution of an SHM or NDE problem. As an employee of the Lawrence Livermore National Laboratory and NDE/NCI team member, I chose to apply the SHM design paradigm taught at UCSD to improve the health monitoring of the X-ray Micro-Computed Tomography (MCT) system. I would like to thank LLNL’s Dr. Harry Martz for serving as my mentor during this project and the entire LLNL MCT technical team for answering my questions and contributing to my knowledge. I would also like to thank Prof. Michael Todd for recruiting me to the UCSD NDE/SHM program and serving as my graduate advisor.

42 ENGINEERING↗
DOE OSTI2024

Beyond Capacity Credits: Adaptive Stress Period Planning for Evolving Power Systems

This paper combines and applies concepts from several researchers to outline an alternative framework to plan power systems for resource adequacy needs, which we call Adaptive Stress Period Planning (ASPP). It first provides background information regarding least-cost planning objectives and the challenge of balancing an increasing need for model representation with computational intensity as power systems evolve in complexity. Next, it motivates the opportunity for a new paradigm by outlining challenges of frameworks in use today that rely on aggregate capacity heuristics (i.e., capacity credits and planning reserve margins). Subsequently, it lays out main process details of ASPP, which more directly represents spatial and temporal dynamics of power systems in a capacity expansion model with a process to adaptively select risk periods. The paper concludes with a summary of the approach, its benefits, and opportunities for future work.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2017

Cumulus: NASA's Cloud Based Distributed Active Archive Center Prototype

NASAs Earth Science Data System (ESDS) Program serves as a central cog in order to facilitate the implementation of NASA's Earth Science strategic plan. Since 1994, the ESDS Program has committed to the full and open sharing of Earth science data obtained from NASA instruments to all users. One of the key responsibilities of the ESDS Program is to continuously evolve the entire data and information system to maximize returns on the collected NASA data. An independent review was conducted in 2015 to holistically review the EOSDIS in order to identify gaps. The review recommendations were to investigate two areas: one, whether commercial cloud providers offer potential for storage, processing, and operational efficiencies, and two, the potential development of new data access and analysis paradigms. In response, ESDS has initiated several prototypes investigating the advantages and risks of leveraging cloud computing. This paper describes one such prototyping activity named Cumulus. Cumulus is being designed and developed as a "native" cloud-based data ingest, archive and management system that can be used for all future NASA Earth science data streams. Cumulus will foster design of new analysisvisualization tools that can leverage collocated data from all of the distributed DAACs as well as elastic cloud computing resources.

Earth Science Informatics↗
DOE OSTI2023

Latent Neural ODE for Integrating Multi-Timescale Measurements in Smart Distribution Grids

Under a smart grid paradigm, there has been an increase in sensor installations to enhance situational awareness. The measurements from these sensors can be leveraged for real-time monitoring, control, and protection. However, these measurements are typically irregularly sampled. These measure-ments may also be intermittent due to communication bandwidth limitations. To tackle this problem, this paper proposes a novel latent neural ordinary differential equations (LODE) approach to aggregate the unevenly sampled multivariate time-series measurements. The proposed approach is flexible in performing both imputations and predictions while being computationally efficient. Simulation results on IEEE 37 bus test systems illustrate the efficiency of the proposed approach.

multi time-scale measurements↗
NASA NTRS2019

An Integrated Data Analytics Platform

An Integrated Science Data Analytics Platform is an environment that enables the confluence of resources for scientific investigation. It harmonizes data, tools and computational resources which subsequently enable the research community to focus on the investigation rather than spending time on security, data preparation, management, etc. OceanWorks is a NASA technology integration project to establish a cloud-based Integrated Ocean Science Data Analytics Platform at NASA’s Physical Oceanography Distributed Active Archive Center (PO.DAAC) for big ocean science. It focuses on advancement and maturity by bringing together several NASA open-source, big data projects for parallel analytics, anomaly detection, in-situ to satellite data matchup, quality-screened data subsetting, search relevancy, and data discovery. Our communities are relying on data distributed through data centers such as the PO.DAAC, COAPS, NCAR, and many others to conduct their research. In typical investigations, scientists would engage in: search for data, evaluate the relevance of that data, download it, and then apply algorithms to identify trends. Such workflow cannot scale if the research involves a massive amount of data or multi-variate measurements. NASA’s Surface Water and Ocean Topography (SWOT) mission is expected to produce massive amount of observational data during its 3-year nominal mission. Collections like SWOT challenges all existing Earth Science data archival, distribution and analysis paradigms. In this paper, we will discuss how OceanWorks enhances the analysis of physical ocean data where the computation is done on an elastic cloud platform next to the archive to deliver fast, web-accessible services for working with oceanographic measurements.

Yang, Chaowei↗
DOE OSTI2025

Nature-GL: A Revolutionary Learning Paradigm Unleashing Nature’s Power in Real-World Spatial-Temporal Graph Learning

Spatial-Temporal Graph Learning (ST-GL) is a prominent research area due to its unique capability to effectively learn real-world graphs. Applications of ST-GL pose stringent and various demands on not only real-time inference with low energy cost and high ac- curacy but also fast training. Unfortunately, as Moore’s Law approaches its limits and ST-GL model complexity drastically grows, the gap between digital hardware’s computational power and ST- GL application demands is widening. In response, this paper introduces Nature-GL, a nature-powered graph learning paradigm that exploits the principle of entropy increase to advance graph learning. In particular, Nature-GL transforms both the training and inference of real-valued ST-GL into electron-speed natural anneal- ing processes of a parameterized dynamical system that represents the target graphs. Experimental results across four real-world ap- plications with six datasets demonstrate that Nature-GL achieves orders-of-magnitude speedups in both training and inference, delivering higher accuracy compared to Graph Neural Networks.

Liu, Chuan [University of Rochester]↗
DOE OSTI2025

Quantum Transfer Learning to Boost Dementia Detection

Dementia is a devastating condition with profound implications for individuals, families, and healthcare systems. Early and accurate detection of dementia is critical for timely intervention and improved patient outcomes. While classical machine learning and deep learning approaches have been explored extensively for dementia prediction, these solutions often struggle with high-dimensional biomedical data and large-scale datasets, quickly reaching computational and performance limitations. To address this challenge, quantum machine learning (QML) has emerged as a promising paradigm, offering faster training and advanced pattern recognition capabilities. This work aims to demonstrate the potential of quantum transfer learning (QTL) to enhance the performance of a weak classical deep learning model applied to a binary classification task for dementia detection. Besides, we show the effect of noise on the QTL-based approach, investigating the reliability and robustness of this method. Using the OASIS 2 dataset, we show how quantum techniques can transform a suboptimal classical model into a more effective solution for biomedical image classification, highlighting their potential impact on advancing healthcare technology.

Bhowmik, Sounak [University of Tennessee, Knoxvill↗
DOE OSTI2020

Algorithms and Statistical Models for Scientific Discovery in the Petabyte Era

The field of astronomy has arrived at a turning point in terms of size and complexity of both datasets and scientific collaboration. Commensurately, algorithms and statistical models have begun to adapt --- e.g., via the onset of artificial intelligence --- which itself presents new challenges and opportunities for growth. This white paper aims to offer guidance and ideas for how we can evolve our technical and collaborative frameworks to promote efficient algorithmic development and take advantage of opportunities for scientific discovery in the petabyte era. We discuss challenges for discovery in large and complex data sets; challenges and requirements for the next stage of development of statistical methodologies and algorithmic tool sets; how we might change our paradigms of collaboration and education; and the ethical implications of scientists' contributions to widely applicable algorithms and computational modeling. We start with six distinct recommendations that are supported by the commentary following them. This white paper is related to a larger corpus of effort that has taken place within and around the Petabytes to Science Workshops (https://petabytestoscience.github.io/).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Analyzing Complex Energy Security Systems [Slides]

Motivation: DOE is investing in our technology for improving Energy Security; Many of these problems are grand challenges requiring moonshot type efforts; The geoscience paradigm is shifting from data sparse to data rich requiring us to take advantage of the latest computational and AI to tools optimize these systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

The Clouds distributed operating system - Functional description, implementation details and related work

Clouds is an operating system in a novel class of distributed operating systems providing the integration, reliability, and structure that makes a distributed system usable. Clouds is designed to run on a set of general purpose computers that are connected via a medium-of-high speed local area network. The system structuring paradigm chosen for the Clouds operating system, after substantial research, is an object/thread model. All instances of services, programs and data in Clouds are encapsulated in objects. The concept of persistent objects does away with the need for file systems, and replaces it with a more powerful concept, namely the object system. The facilities in Clouds include integration of resources through location transparency; support for various types of atomic operations, including conventional transactions; advanced support for achieving fault tolerance; and provisions for dynamic reconfiguration.

Dasgupta, Partha↗
NASA NTRS1992

C Language Integrated Production System, Version 5.0

CLIPS 5.0 provides cohesive software tool for handling wide variety of knowledge with support for three different programming paradigms: rule-based, object-oriented, and procedural. CLIPS 5.0 available in version for IBM Personal Computer (MSC-21916), in one for Macintosh computer (MSC-21927), and in one for DEC VAX computer (MSC-21929). Computer Software Management and Information Center (COSMIC) offers five distribution versions of CLIPS 5.0. Executable files, source code, utilities, and examples included on program medium. All distribution versions include identical source code for command-line version of CLIPS 5.0. Source code compatible with ANSI C and compilable on any computer with ANSI C compiler. Only Macintosh version of CLIPS 5.0 includes window interface.

Riley, Gary↗
NASA NTRS1992

Sensor fusion IV: Control paradigms and data structures; Proceedings of the Meeting, Boston, MA, Nov. 12-15, 1991

Various papers on control paradigms and data structures in sensor fusion are presented. The general topics addressed include: decision models and computational methods, sensor modeling and data representation, active sensing strategies, geometric planning and visualization, task-driven sensing, motion analysis, models motivated biology and psychology, decentralized detection and distributed decision, data fusion architectures, robust estimation of shapes and features, application and implementation. Some of the individual subjects considered are: the Firefly experiment on neural networks for distributed sensor data fusion, manifold traversing as a model for learning control of autonomous robots, choice of coordinate systems for multiple sensor fusion, continuous motion using task-directed stereo vision, interactive and cooperative sensing and control for advanced teleoperation, knowledge-based imaging for terrain analysis, physical and digital simulations for IVA robotics.

Schenker, Paul S.↗
NASA NTRS2005

Nexus: Planning Tomorrow, Today

To prepare for future human space flight programs, the Mission Operations Laboratory (MOL) at the Marshall Space Flight Center (MSFC) has been investigating new planning and scheduling paradigms. To support and prove this investigation, MOL technologists have developed a working prototype of a scheduling system to support the new paradigms. The new planning and scheduling system is called Nexus and has a web site at http://nexus.nasa.gov/. Nexus is based on a comprehensive modeling schema to capture all scheduling requirements typical to human space missions, an incremental scheduling engine tailored to the modeling schema, and remote access (including Personal Data Assistant (PDA) access) to the scheduling system. This paper describes the proposed paradigm shift and the enabling software. It also describes a typical Nexus demonstration which emphasizes how it works, how it enables the paradigm shift, and possible applications. Demonstrations include access to the full functionally of Nexus from a personal computer and access to limited functionally via a PDA. An appendix includes a description and screen shots of the demonstrations.

Jaap, John↗
NASA NTRS2009

A Module Language for Typing by Contracts

Assume-guarantee reasoning is a popular and expressive paradigm for modular and compositional specification of programs. It is becoming a fundamental concept in some computer-aided design tools for embedded system design. In this paper, we elaborate foundations for contract-based embedded system design by proposing a general-purpose module language based on a Boolean algebra allowing to define contracts. In this framework, contracts are used to negotiate the correctness of assumptions made on the definition of a component at the point where it is used and provides guarantees to its environment. We illustrate this presentation with the specification of a simplified 4-stroke engine model.

Glouche, Yann↗