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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Snapshot multispectral imaging using a diffractive optical network

Abstract Multispectral imaging has been used for numerous applications in e.g., environmental monitoring, aerospace, defense, and biomedicine. Here, we present a diffractive optical network-based multispectral imaging system trained using deep learning to create a virtual spectral filter array at the output image field-of-view. This diffractive multispectral imager performs spatially-coherent imaging over a large spectrum, and at the same time, routes a pre-determined set of spectral channels onto an array of pixels at the output plane, converting a monochrome focal-plane array or image sensor into a multispectral imaging device without any spectral filters or image recovery algorithms. Furthermore, the spectral responsivity of this diffractive multispectral imager is not sensitive to input polarization states. Through numerical simulations, we present different diffractive network designs that achieve snapshot multispectral imaging with 4, 9 and 16 unique spectral bands within the visible spectrum, based on passive spatially-structured diffractive surfaces, with a compact design that axially spans ~72 λ m , where λ m is the mean wavelength of the spectral band of interest. Moreover, we experimentally demonstrate a diffractive multispectral imager based on a 3D-printed diffractive network that creates at its output image plane a spatially repeating virtual spectral filter array with 2 × 2 = 4 unique bands at terahertz spectrum. Due to their compact form factor and computation-free, power-efficient and polarization-insensitive forward operation, diffractive multispectral imagers can be transformative for various imaging and sensing applications and be used at different parts of the electromagnetic spectrum where high-density and wide-area multispectral pixel arrays are not widely available.

36 MATERIALS SCIENCE↗
DOE OSTI2020

What Questions Would a Systems Engineer Ask to Assess Systems Engineering Models as Credible

Digital Systems Engineering strategies typically call for digital Systems Engineering models to be retained in repositories and certified as an authoritative source of truth (enabling model reuse, qualification, and collaboration). In order for digital Systems Engineering models to be certified as authoritative (credible), they need to be assessed - verified and validated - and with the amount of uncertainty in the model quantified (consider reusing someone else's model without knowing the author). Due to this increasing model complexity, the authors assert that traditional human-based methods for validating, verifying, and uncertainty quantification - such as human-based peer-review sessions - cannot sufficiently establish that a digital Systems Engineering model of a complex system is credible. Digital Systems Engineering models of complex systems can contain millions of nodes and edges. The authors assert that this level of detail is beyond the ability of any group of humans - even working for weeks at a time - to discern and catch every minor model infraction. In contrast, computers are highly effective at discerning infractions with massive amounts of information. The authors suggest that a better approach might be to focus the humans at what model patterns should be assessed and enable the computer to assess the massive details in accordance with those patterns - by running through perhaps 100,000 test loops. In anticipation of future projects to implement and automate the assessment of models at Sandia National Laboratories, a study was initiated to elicit input from a group of 25 Systems Engineering experts. The authors positioning query began with - 'What questions would a Systems Engineer ask to assess Systems Engineering models for credibility?" This report documents the results of that survey.

42 ENGINEERING↗
DOE OSTI2024

IMPACT: Design of Integrated Multiphysics Producible Additive Components for Turbomachinery

The overall objective of the IMPACT program was to enable a dramatic reduction in design maturation time for an additive hot-section turbomachinery component through the following: • A fast crack-risk producibility surrogate model generated from machine learning applied to additive process simulation data generated via exascale computing, • Linking this surrogate model to multi-physics topology optimization (TO) to enable the creation of producible, near-optimal structural/thermal designs for additive hot-section components, • Maturing this toolset to reduce hot-section component design-for-manufacturing iterations by a large fraction, and eventually, • Using these tools to develop more efficient gas turbines in much shorter design cycle times.

42 ENGINEERING↗
DOE OSTI2025

Shape Anisotropy-Dependent Leaking in Magnetic Neurons for Bio-Mimetic Neuromorphic Computing

Spiking neural networks seek to emulate biological computation through interconnected artificial neuron and synapse devices. Spintronic neurons can leverage magnetization physics to mimic biological neuron functions, such as integration tied to magnetic domain wall (DW) propagation in a patterned nanotrack and firing tied to the resistance change of a magnetic tunnel junction (MTJ), captured in the domain wall-magnetic tunnel junction (DW-MTJ) device. Leaking, relaxation of a neuron when it is not under stimulation, is also predicted to be implemented based on DW drift as a DW relaxes to a low energy position, but it has not been well explored or demonstrated in device prototypes. Here, in this work, we study DW-MTJ artificial neurons capable of leaky integrate-and-fire (LIF) behavior and demonstrate geometry-dependent leaking dynamics that results in repeatable, tunable LIF operation. Studying the behavior of five different device designs, we show tuning the geometry, stimulating fields and currents, and location of electrical contacts results in a wide range of neuron behavior. Additionally, implementation of an asymmetric notch allows for nonlinear pinning which increased expressivity without sacrificing leaking. The measured behavior is implemented in a simulated spiking neural network that outperforms a 1D model of continuous DW motion and approaches the performance of an ideal LIF activation function. The results show that the analog LIF capability of DW-MTJ neurons combines many desirable neuron functions into a single device, which can result in varied forms of multifunctional neuromorphic computing.

42 ENGINEERING↗
DOE OSTI2020

Report on Progress of correlation of in-situ and ex-situ data and the use of artificial intelligence to predict defects

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to fabricate nuclear components which will be assembled into a fully functional microreactor core. Compared with traditional manufacturing technologies, AM technologies allow (1) real-time observation of the manufacturing process at a much higher resolution using in-situ monitoring technologies to capture the sensor signatures that scientifically describe each event occurring over time and space and (2) validation of the manufacturing process quality using domain-informed data analytics techniques as a potential qualification and certification methodology for the final component. This report provides an update on the program work on in-situ and ex-situ data correlation and associated data analytics results. Examples are provided to illustrate progress with respect to laser powder bed fusion (L-PBF), binder jetting, computed tomography (CT) reconstruction, and mechanical testing. Elements of the Digital Thread and data management infrastructure are discussed in the main document, and an extensive supplemental appendix is provided detailing the Digital Platform, as well as its implementation and subcomponents. In conclusion, the path forward for the next fiscal year is also discussed.

42 ENGINEERING↗
DOE OSTI2021

Xyce Parallel Electronic Simulator Users' Guide Version 7.4

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: • Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. • A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. • Device models that are specifically tailored to meet Sandia’s needs, including some radiation-aware devices (for Sandia users only). • Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase — a message passing parallel implementation — which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.

42 ENGINEERING↗
DOE OSTI2022

Sierra/SolidMechanics 5.8 User's Manual

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

42 ENGINEERING↗
DOE OSTI2026

A stress-based fracture model for reacting metal ejecta

The evolution of reacting metal ejecta continues to be a topic of interest at the forefront of metals in reactive and extreme environments. Ejecta are small particles formed when the surface of a metal undergoes Richtmyer–Meshkov instability from a strong shock. Experiments have shown that in the case where ejecta are in ambient conditions that induce a reaction, the ejecta behave irregularly. The ejecta temperature rises and then plateaus, and the acceleration profile shows unexpected jumps. These variations are assumed to be related to the exothermic heat release and particle mass loss caused by the reaction. To explain this phenomenon, efforts to model this in simulations have increased. While current models can capture many of these physical processes, they currently assign a constant reaction shell thickness with little physical reasoning. This work remedies this problem by assigning a dynamic physically informed shell thickness to the reacting particles, using solid analysis. The shell thickness of the particles impacts the rate of change of reacted mass in the system, as well as the rate at which the particles react. The model is based on a simple stress–strain relationship and gives a dynamic assignment for when the reacting particle should begin to fracture. We compare our model to the previous computational and simulation data to analyze the effects of different model parameters.

42 ENGINEERING↗
DOE OSTI2020

Investigating Scientific Workload Acceleration using BlueField SmartNICs [Slides]

Modern computing platforms whose workloads generate large amounts of network traffic, such as cloud and HPC systems, often suffer from performance bottlenecks associated with the network interface. In order to alleviate the effects of this obstacle, a new generation of accelerators known as ‘SmartNICs’, which are designed to offload low level networking tasks from the processor into the NIC, have emerged.

42 ENGINEERING↗
DOE OSTI2022

Designing Monte Carlo Simulation and an Optimal Machine Learning to Optimize and Model Space Missions

This paper investigates applying artificial intelligence (AI) algorithms to attitude control system of satellites to optimally tune the controller using high performance computing. This methodology is applied to the Virtual Telescope for X-ray Observation mission, which is a precise formation of two separate spacecraft observing multiple objects in the space in the X-ray domain. The mission is divided into phases based on the instrumentation and the mission goal. To reach an stable precise formation robust to stochastic slew and slew rate (i.e., Euler angles and angular velocities) in a minimal constrained time T , consumed energy of the attitude control system, denoted as E, and root-mean-square state error of attitude control system, denoted as e, are minimized. Monte-Carlo simulation is used for the sensitivity analysis of optimization and designing a controller. Deep neural networks (DNN), Gaussian processes (GP), and support vector regression (SVR) learn this optimization as a surrogate model, while their hyperparameters are optimized in a novel approach. THETA supercomputer at Argonne Leadership Computing Facility (ALCF) is used for optimizing the hyperparameters of DNN. The surrogate model meets the requirements of the mission, and it shows a better performance over the optimization and Monte-Carlo. The optimal DNN can satisfy the mission requirements e and T while reducing E for 90% compared to the other given methods.

42 ENGINEERING↗
DOE OSTI2024

Bi-fidelity variational auto-encoder for uncertainty quantification

Quantifying the uncertainty of quantities of interest (QoIs) from physical systems is a primary objective in model validation. However, achieving this goal entails balancing the need for computational efficiency with the requirement for numerical accuracy. To address this trade-off, we propose a novel bi-fidelity formulation of variational auto-encoders (BF-VAE) designed to estimate the uncertainty associated with a QoI from low-fidelity (LF) and high-fidelity (HF) samples of the QoI. Here, this model allows for the approximation of the statistics of the HF QoI by leveraging information derived from its LF counterpart. Specifically, we design a bi-fidelity auto-regressive model in the latent space which is integrated within the VAE’s probabilistic encoder–decoder structure. An effective algorithm is proposed to maximize the variational lower bound of the HF log-likelihood in the presence of limited HF data, resulting in the synthesis of HF realizations with a reduced computational cost. Additionally, we introduce the concept of the bi-fidelity information bottleneck (BF-IB) to provide an information-theoretic interpretation of the proposed BF-VAE model. Our numerical results demonstrate that the BF-VAE leads to considerably improved accuracy, as compared to a VAE trained using only HF data, when limited HF data is available.

42 ENGINEERING↗
DOE OSTI2022

Activity Theory Literature Review

Complex challenges across Sandia National Laboratories' (SNL) mission areas underscore the need for systems level thinking, resulting in a better understanding of the organizational work systems and environments in which our hardware and software will be used. SNL researchers have successfully used Activity Theory (AT) as a framework to clarify work systems, informing product design, delivery, acceptance, and use. To increase familiarity with AT, a working group assembled to select key resources on the topic and generate an annotated bibliography. The resources in this bibliography are arranged in six categories: 1) An introduction to AT; 2) Advanced readings in AT; 3) AT and human computer interaction (HCI); 4) Methodological resources for practitioners; 5) Case studies; and 6) Related frameworks that have been used to study work systems. This annotated bibliography is expected to improve the reader's understanding of AT and enable more efficient and effective application of it.

42 ENGINEERING↗
DOE OSTI2025

Gaussian integral method for void fraction

Here, a novel method, the Gaussian Integral Method (GIM), is presented for calculating void fractions in Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) simulations. GIM is versatile and applicable to various grid types, including structured and unstructured polyhedral meshes, without requiring special boundary treatments. An optimization technique is introduced to make GIM independent of grid resolution and type. The method is validated against experimental data from a fluidized bed, demonstrating that GIM produces realistic simulations closely resembling experimental observations. Additionally, unstructured polyhedral grids using GIM outperform structured grids of equivalent resolution, yielding results more aligned with experimental data. The gradient of the void fraction is computed in the CFD solver and utilized in the DEM solver for precise estimation at particle locations. Overall, GIM provides an effective solution for void fraction calculations in particulate media simulations with complex geometries, enhancing the accuracy and applicability of CFD-DEM simulations for industrial processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

TRUST Contact Thermal Conductance (TRUST-CTC) Report: FY2022

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainties in Simulations and Tests (TRUST) work package is to quantify and help increase confidence in specific areas of computational and experimental capabilities that are applicable to current and future delivery environments. More complete quantification of confidence in experimental and computational capabilities and the sufficient increase of confidence in those capabilities is critical to improving weapons engineering design, qualification, and assessment efforts that are critical to the current and future stockpile. Staff development will include cross-discipline training to provide engineers with experience in both numerical simulations and experimental methods. This work will use and provide feedback on analysis tools and experimental results databases for efficient and responsive engineering which are currently under development: engineering common model framework (ECMF), engineering quantification of margins and uncertainties (EQMU), test information management system (TIMS), and [WAVES] Analysis for Verified Engineering Simulation (WAVES).

42 ENGINEERING↗
DOE OSTI2022

Topology optimization for the design of porous electrodes

Porous electrodes are an integral part of many electrochemical devices since they have high porosity to maximize electrochemical transport and high surface area to maximize activity. Traditional porous electrode materials are typically homogeneous, stochastic collections of small-scale particles and offer few opportunities to engineer higher performance. Fortunately, recent breakthroughs in advanced and additive manufacturing are yielding new methods to structure and pattern porous electrodes across length scales. These architected electrodes are emerging as a promising new technology to continue to drive improvement; however, it is still unclear which structures to employ and few tools are available to guide their design. Here we address this gap by applying topology optimization to the design of porous electrodes. We demonstrate our framework on two applications: a porous electrode driving a steady Faradaic reaction and a transiently operated electrode in a supercapacitor. We present computationally designed electrodes that minimize energy losses in a half-cell. For low-conductivity materials, the optimization algorithm creates electrode designs with a hierarchy of length scales. Further, the designed electrodes are found to outperform undesigned, homogeneous electrodes. Finally, we present three-dimensional porous electrode designs. We thus establish a topology optimization framework for designing porous electrodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Bison Verification and Validation Activities for TRISO

Numerical modeling and simulation (M&S) tools play a key role in the research, development, and overall safety assessments of next-generation nuclear energy systems. One such tool, Bison, is a nuclear fuel performance code that is applicable to many fuel forms (e.g., light-water reactor fuel, oxide and metallic fuel for fast reactors, tri-structural isotropic (TRISO) fuel, and plate fuel), and it uses the finite element method to model the thermo- mechanical response of nuclear fuels. One fuel form widely utilized in Generation-IV high-temperature gas-cooled and fluoride- salt-cooled nuclear reactor concepts is TRISO fuel. Recently, Bison’s capabilities were significantly expanded to enable it to model the performance of TRISO particles and compacts. It is important that Bison’s computational results be reliable and predictive, since this code is used to inform high-consequence decisions. The various processes developed to address this issue generally entail two fundamental steps: verification and validation (V&V). Verification ensures that the code functions correctly and is reliable. Code/solution verification, code benchmark, and software quality assurance exercises are examples of verification activities. On the other hand, validation is the process of assessing a code’s capability to accurately model physical problems. Comparisons between code results and experiments quantify the validation level. Application of V&V procedures is crucial to the development of computational tools that are free of coding mistakes and can accurately represent reality. The current study presents an overview of Bison V&V activities relevant to the TRISO fuel concept, which include code/solution verification exercises, CRP-6 Benchmark—a Coordinated Research Program through the International Atomic Energy Agency (IAEA)—exercises, and validation exercises with the Advanced Gas Reactor (AGR)- 1/2/3/4 experiment series.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

An approach to grid-to-rod fretting wear modeling using dynamic mortar contact

This article presents the development of a grid-to-rod fretting (GTRF) modeling methodology that utilizes dynamic mortar contact. Here, we leverage a recently developed computational framework for modeling thermomechanical contact in dynamic simulations from the nuclear fuel performance code Bison. Usage of mortar contact ensures a smooth distribution of normal and frictional contact forces, displacements, and velocities on the contact interface, thus facilitating an accurate computation of wear. The integration within an advanced nuclear fuel performance code enables analysis of complex interactions between the fuel, cladding, and spacer grid. Such interactions include swelling, creep, fuel fragmentation, burnup, plenum pressure, and fission gas release. Our methodology is demonstrated via the modeling of two spacer grid geometries and the influence of fuel-cladding mechanical contact on the generation of fretting wear.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Characterization and Optimization of Building Blocks for Specialized Computing Platforms

As noise limits the performance of quantum processors, the ability to characterize this noise and develop methods to overcome it is essential for the future of quantum computing. In this report, we develop a complete set of tools for improving quantum processor performance at the application level, including low-level physical models of quantum gates, a numerically efficient method of producing process matrices that span a wide range of model parameters, and full-channel quantum simulations. We then provide a few examples of how to use these tools to study the effects of noise on quantum circuits.

42 ENGINEERING↗