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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantum Computing and Simulations for Energy Applications

While quantum computing (QC) is considered as a paradigm shift in our basic understanding of physical computation, effective implementation of QC in energy applications also depends on progress and development in the dimensions of both QC hardware and algorithms. To fully address the status and future challenges of QC applied within the energy sector, in this presentation, we firstly summarize recent advancements on the applications of QC to energy infrastructure and materials, complex energy system processes, advanced manufacturing, and energy system security. Then, we will demonstrate the results of QC performed both on a simulator and a quantum device targeting on energy-related applications.

Paudel, Hari P.↗
NASA NTRS2004

Emergency Response Manual

Safety and security is very important at NASA. The Security Management and Safeguards Office goal is ensure safety and security for all NASA Lewis and Plum Brook Station visitors and workers. The office protects against theft, sabotage, malicious damage, espionage, and other threats or acts of violence. There are three types of security at NASA: physical, IT, and personnel. IT is concerned with sensitive and classified information and computers. Physical security includes the officers who check visitors and workers in and patrol the facility. Personnel security is concerned with background checks during hiring. During my internship, I met people from and gained knowledge about all three types of security. I primarily worked with Dr. Richard Soppet in physical security. During my experience with physical security, I observed and worked with many aspects of it. I attended various security meetings at both NASA Lewis and Plum Brook. The meetings were about homeland security and other improvements that will be made to both facilities. I also spent time with a locksmith. The locksmith makes copies of keys and unlocks doors for people who need them. I rode around in a security vehicle with an officer as he patrolled. I also observed the officer make a search of a visitor s vehicle. All visitors vehicles are searched upon entering NASA. I spent time and observed in the dispatch office. The officer answers calls and sends out officers when needed. The officer also monitors the security cameras. My primary task was completing an emergency response manual. This manual would assist local law enforcement and fire agencies in case of an emergency. The manual has pictures and descriptions of the buildings. It also contains the information about hazards inside of the buildings. This information will be very helpul to law enforcement so that when called upon during an emergency, they will not create an even bigger problem with collateral damage.

Barnett, Traci M.↗
DOE OSTI2023

Four-Stage Multi-Physics Simulations to Assist Temperature Sensor Design for Industrial-Scale Coal-Fired Boiler

The growth of renewable energy sources presents a pressing challenge to the operation and maintenance of existing fossil fuel power plants, given that fossil fuel remains the predominant fuel source, responsible for over 60% of electricity generation in the United States. One of the main concerns within these fossil fuel power plants is the unpredictable failure of boiler tubes, resulting in emergency maintenance with significant economic and societal consequences. A reliable high-temperature sensor is necessary for in situ monitoring of boiler tubes and the safety of fossil fuel power plants. In this study, a comprehensive four-stage multi-physics computational framework is developed to assist the design, optimization installation, and operation of the high-temperature stainless-steel and quartz coaxial cable sensor (SSQ-CCS) for coal-fired boiler applications. With the consideration of various operation conditions, we predict the distributions of flue gas temperatures within coal-fired boilers, the temperature correlation between the boiler tube and SSQ-CCS, and the safety of SSQ-CCS. With the simulation-guided sensor installation plan, the newly designed SSQ-CCSs have been employed for field testing for more than 430 days. The computational framework developed in this work can guide the future operation of coal-fired plants and other power plants for the safety prediction of boiler operations.

42 ENGINEERING↗
DOE OSTI2024

Level 2 Milestone: Develop and Incorporate Novel Code Verification of Fundamental Equations in Gemma and Set Up Appropriate Tests

For computational physics simulations, code verification plays a major role in establishing the credibility of the results by assessing the correctness of the implementation of the underlying numerical methods. In computational electromagnetics, surface integral equations, such as the method-of-moments implementations of the electric-, magnetic-, and combinedfield integral equations, are frequently used to solve Maxwell’s equations on the surfaces of electromagnetic scatterers. These electromagnetic surface integral equations yield many code-verification challenges due to the various sources of numerical error and their possible interactions. In this report, we provide approaches to separately measure the numerical errors arising from these different error sources. We demonstrate the effectiveness of these approaches in Gemma.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Applying Physics-Informed Neural Networks to Solve Navier–Stokes Equations for Laminar Flow around a Particle

In recent years, Physics-Informed Neural Networks (PINNs) have drawn great interest among researchers as a tool to solve computational physics problems. Unlike conventional neural networks, which are black-box models that “blindly” establish a correlation between input and output variables using a large quantity of labeled data, PINNs directly embed physical laws (primarily partial differential equations) within the loss function of neural networks. By minimizing the loss function, this approach allows the output variables to automatically satisfy physical equations without the need for labeled data. The Navier–Stokes equation is one of the most classic governing equations in thermal fluid engineering. This study constructs a PINN to solve the Navier–Stokes equations for a 2D incompressible laminar flow problem. Flows passing around a 2D circular particle are chosen as the benchmark case, and an elliptical particle is also examined to enrich the research. The velocity and pressure fields are predicted by the PINNs, and the results are compared with those derived from Computational Fluid Dynamics (CFD). Additionally, the particle drag force coefficient is calculated to quantify the discrepancy in the results of the PINNs as compared to CFD outcomes. The drag coefficient maintained an error within 10% across all test scenarios.

Hu, Beichao (ORCID:0009000163215151)↗
DOE OSTI2025

Accelerating magnonic simulations with the pseudospectral Landau-Lifshitz equation

The pseudospectral Landau-Lifshitz (PS-LL) model can describe atomic-scale magnetic exchange interactions within a continuum framework. This is achieved by employing a convolution kernel that models the nonlocal interaction in a grid-independent manner. Even though the PS-LL was originally introduced to address atomic exchange, any nonlocal kernel can be modeled. In the field of magnonics, the dipole field is fundamental to describe the dispersion relation of magnons, the quasiparticle representation of angular momentum. Because dipole-dipole interactions are long-range, numerical approaches typically rely on convolutions. Here, we demonstrate that the PS-LL model can be used to perform magnonic simulations with a single convolution kernel derived from analytical solutions. We demonstrate a twofold increase in computational speed compared with the full dipole calculation. This approach is valid insofar as the excitations are linear, which is typically the case for magnons. Our results have the potential to accelerate magnonic research, particularly for the inverse design method, where several simulations must be performed to achieve the desired outcome.

Mathematics and computing↗
DOE OSTI2017

Verification of the Two-Fluid Model in the Spectral Element Code Nek-2P for Adiabatic Flow Conditions

The simulation of multiphase flow is a difficult physical, computational, and numerical problem. Sophisticated tools are necessary to provide results encompassing a wide range of physical phenomena. The development of these tools must be supported by rigorous analysis and ongoing efforts of verification and validation to ensure the accuracy of simulations. The Nek-2P multiphase code is being developed at Argonne with the general goal of simulating a wide range of multiphase flows and the primary goal of simulating boiling flows in LWR fuel assemblies. As part of this, there is an ongoing effort to verify the code and validate the underlying physical models. The objective of this work is to present recent results in the verification of Nek-2P. As a starting point, this work is focused on adiabatic flows for the sake of simplicity with the immediate next planned step to expand the effort to include heat and mass transfer. Details of the verification of the implemented mass fraction transport, momentum conservation, and pressure equations in Nek-2P are presented. Results of simulations are compared to analytic solutions when possible, however due to the complexity of multiphase flows, these are seldom available. To overcome this difficulty, an independent model is used to provide solutions for comparison.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Modeling Flow and Transport in Fractured Rock using Machine Learning [Slides]

Fractured systems in the subsurface play a role in many natural and engineered applications such as geologic carbon sequestration, hydraulic fracturing and underground nuclear test detection. Structural information (fracture size, orientation, etc.) plays a key role in governing the dominant physics for these systems but can only be known statistically. Traditional modeling approaches either ignore or idealize structural information at these larger scales because we lack a computational framework that utilizes it in its entirety. The work presented here integrates computational physics, machine learning and graph theory to make a paradigm shift from computationally intensive high-fidelity models to coarse-scale graphs without loss of critical structural information. We exploit the underlying discrete structure of fracture networks in systems considering flow through fractures and fracture propagation. We demonstrate that compact graph representations require significantly fewer degrees of freedom (dof) to capture micro-fracture information and further accelerate these models with Machine Learning.

58 GEOSCIENCES↗
DOE OSTI2019

Application of Deep Learning on Integrating Prediction, Provenance, and Optimization

In this research, we investigated two approaches to detect job anoma- lies and/or contention for large scale computing efforts: 1. Preemptive job scheduling using binomial classification long short-term memory networks 2. Forecasting intra-node computing loads from the active jobs and addi- tional job(s) For approach 1, we achieved a 14% improvement in computational resources utilization and an overall classification accuracy of 85% on real tasks executed in a High Energy Physics computing workflow. For this paper, we present the preliminary results used in second approach.

Anomaly Detection, Belle II Computing, data proven↗
DOE OSTI2017

A performance spectrum for parallel computational frameworks that solve PDEs

Summary Important computational physics problems are often large‐scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to determine whether a computational framework is performing efficiently or is scalable. The aim of this paper is to present various strategies for better understanding the performance of any parallel computational frameworks for solving PDEs. Important performance issues that negatively impact time‐to‐solution are discussed, and we propose a performance spectrum analysis that can enhance one's understanding of critical aforementioned performance issues. As proof of concept, we examine commonly used finite element simulation packages and software and apply the performance spectrum to quickly analyze the performance and scalability across various hardware platforms, software implementations, and numerical discretizations. It is shown that the proposed performance spectrum is a versatile performance model that is not only extendable to more complex PDEs such as hydrostatic ice sheet flow equations but also useful for understanding hardware performance in a massively parallel computing environment. Potential applications and future extensions of this work are also discussed.

Chang, J.↗
DOE OSTI2018

Applications of Analytic Models to Spent Fuel Cask Analysis

The advent of high performance computing has changed the way scientists and engineers solve problems. Scientists previously would make a tremendous effort to simplify a complex problem to it’s essence by reducing geometry, neglecting changes and only preserving first-order effects. Now, scientist are able to leave the details in the problem and computationally arrive at a result. To develop the computational physics programs used by scientists, developers make assumptions and use approximation to reduce complex, continuous calculus to algebraic expressions which computers are able to solve.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Simple rANDom wALk simulation

SANDAL is a particle-mesh simulation mini-app. The simple simulated physics propagates a set of particles in a constant, 2D wind field with Gaussian turbulence. SANDAL demonstrates the feasibility of formulating a computational physics problem using an alternative, modern design. Specifically, it is implemented using relational tables and queries, rather than array-based data model. It also is implemented with functional language design and cloud deployment, Scala and Apache Spark, rather than Fortran and MPI+X.

Lo, Li-Ta↗
DOE OSTI2017

Pseudo-Spectral Methods for the Laplace-Beltrami Equation and the Hodge Decomposition on Surfaces of Genus One

The inversion of the Laplace-Beltrami operator and the computation of the Hodge decomposition of a tangential vector field on smooth surfaces arise as computational tasks in many areas of science, from computer graphics to machine learning to computational physics. In this work, we present a high-order accurate pseudo-spectral approach, applicable to closed surfaces of genus one in three-dimensional space, with a view toward applications in plasma physics and fluid dynamics.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2019

A Web of Data Analytics Services

Cloud Computing has become the ubiquitous approach to our Big Data challenge. However, one will quickly discover that moving (a.k.a. forklifting) existing on-premise data analytics solutions to the Cloud doesn’t always translate to costing saving and performance boost. The Cloud’s elasticity, its availability, and its wide selection of computing options and selections of costing models making Cloud an attractive environment to tackle our Big Data challenge. The fact is Cloud, on its own, is not the silver bullet to our daunting challenge need for analyze and derive scientific inferences through vast collections of multi-sensor measurements. We would like to have all scientific data in one easy to access environment, but getting the world of scientific data in one analytic system is immensely difficult to achieve. This paper describes the data analytics web architecture NASA is developing by infusing instances of Integrated Data Analytics systems next to the data. The goal is to minimize unnecessary data movement through collection of data access and analytics webservices for researchers to interact with and analyze measurements without have to download data to their local computer. These services are RESTful and provisioned by the data centers with the help from subject matter and science experts. These services encapsulate the physical computing infrastructure, which could local computing cluster, on-premise or public Cloud environment.

Huang, Thomas↗
DOE OSTI2026

Fortran mimetic abstraction language (Formal) v0.1.

The Fortran mimetic abstraction language ("Formal") is a domain-specific language (DSL) embedded in Fortran 202Y [1]. Formal provides novel software abstractions for simulating phenomena governed by the partial differential equations (PDEs) of vector and tensor calculus. Such equations model an extremely broad set of physical phenomena, ranging from atmospheric winds to light propagation. Formal's data structures and algorithms mimic in form and behavior continuous functions and operators. Formal supports these mathematical constructs using mimetic discretizations that define a discrete calculus satisfying various tensor calculus theorems, thereby ensuring high-fidelity representations of the physics being modeled. [2] Formal 0.1.0 also lays a foundation for the future use of Fortran 202Y type-safe templates to facilitate the formal verification of tensor contractions in computational physics and artificial intelligence [3]. [1] "Fortran 202Y" is Fortran standard committee's informal designation for the next Fortran revision, which will likely be "Fortran 2028". [2] Corbino, J. and Castillo, J. (2020) Journal of Computational and Applied Mathematics, https://doi.org/10.1016/j.cam.2019.06.042. [3] Haveraaen, M., Järvi, J., & Rouson, D. (2019). Reflecting on Generics for Fortran. https://j3-fortran.org/doc/year/19/19-188.pdf.

Rouson, Damian [Lawrence Berkeley National Laborat↗
DOE OSTI2022

Development of an Enhanced Radiation Physics Toolset for Modeling Spectral and Imaging Signatures in the Warm Dense Matter Experiments

Radiative and atomic processes in plasmas play a critical role in a wide variety of high energy density laboratory plasma (HEDLP) experiments. The emission, absorption, and transport of radiation can strongly affect the overall energetics and evolution of such plasmas. In addition, radiation-based diagnostics – including imaging, spectroscopy, and absolute flux measurements – are widely used to determine key features of HEDLPs. To advance our understanding of HEDLP science, it is vital to have high-fidelity computational physics tools that have well-tested radiation physics modeling, and that are readily accessible to researchers in the HEDLP community. Simulations play an extremely important role for planning and designing the experiments, as well as for post-experiment data analysis. Prism Computational Sciences develops software that is used by National Laboratories and universities (including five members of LaserNetUS network). Prominent examples of such research efforts include z-pinch and short-pulse laser experiments designed to study the basic physics of photoionized plasmas and photoionization fronts, as well as their application to astrophysical plasmas. The main effort was dedicated to the development of non-equilibrium equation-of-state (EOS) models within the HELIOS-CR code, a hydrodynamics code with inline collisional-radiative atomic kinetics. Gas cell experiments on Z and Omega demonstrated the importance of non-equilibrium effects on atomic kinetics in photoionized plasmas. Recent proof-of-principle experiments on Omega EP confirmed the advantages of using a short-pulse laser to create an intense radiation drive, leading to additional experiments being proposed. Photoionization front experiments at LLE also emphasizes the importance of radiation and atomic physics. In both studies, HELIOS-CR simulations played a crucial role in computing non-equilibrium opacities and ionization distributions. A newly developed non-LTE EOS model will help addressing possible non-equilibrium effects, on for example specific heat, and their influence in plasma evolution. Prism also implemented support for open-source atomic data generated by the Flexible Atomic Code. This allows researchers to generate custom atomic tables and use them within the complex framework of simulation tools developed by Prism. The ability to use open-source atomic data would be extremely valuable for hydrodynamics and spectroscopic simulations that include high-Z materials, e.g., picosecond x-ray pulse generation experiments. Support for new atomic structures was fully implemented, and the data can be used by all simulation tools developed at Prism: radiation-hydrodynamics, imaging and spectroscopy, EOS and opacity. The development resulted in a significant fidelity enhancement to the simulations tools developed by Prism that are currently used in other cutting-edge experiments including: opacity measurement experiments performed to both understand the basic radiative and atomic properties of plasmas as well as provide data for more accurately modeling the internal structure of the Sun and other stars, high-intensity short-pulse laser experiments performed to develop short-wavelength light sources for use as backlighters and to investigate fast ignition concepts for inertial fusion energy; capsule implosion experiments designed to develop inertial fusion as an energy source, etc.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Code-verification techniques for the method-of-moments implementation of the magnetic-field integral equation

For computational physics simulations, code verification plays a major role in establishing the credibility of the results by assessing the correctness of the implementation of the underlying numerical methods. In computational electromagnetics, surface integral equations, such as the method-of-moments implementation of the magnetic-field integral equation, are frequently used to solve Maxwell's equations on the surfaces of electromagnetic scatterers. These electromagnetic surface integral equations yield many code-verification challenges due to the various sources of numerical error and their possible interactions. In this paper, we provide approaches to separately measure the numerical errors arising from these different error sources. We demonstrate the effectiveness of these approaches for cases with and without coding errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗