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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 NTRS1973

BUCLASP 3: A computer program for stresses and buckling of heated composite stiffened panels and other structures, user's manual

The use of the computer program BUCLASP3 is described. The code is intended for thermal stress and instability analyses of structures such as unidirectionally stiffened panels. There are two types of instability analyses that can be effected by PAINT; (1) thermal buckling, and (2) buckling due to a specified inplane biaxial loading. Any structure that has a constant cross section in one direction, that may be idealized as an assemblage of beam elements and laminated flat and curved plate strip-elements can be analyzed. The two parallel ends of the panel must be simply supported, whereas arbitrary elastic boundary conditions may be imposed along any one or both external longitudinal side. Any variation in the temperature rise (from ambient) through the cross section of a panel is considered in the analyses but it must be assumed that in the longitudinal direction the temperature field is constant. Load distributions for the externally applied inplane biaxial loads are similar in nature to the permissible temperature field.

Tripp, L. L.↗
DOE OSTI2020

Two-fluid and kinetic transport physics of Kelvin–Helmholtz instabilities in nonuniform low-beta plasmas

Hall-magnetohydrodynamic (Hall-MHD) theory, two-fluid simulations, and kinetic simulations are used in this work to investigate the cross-field transport properties of Kelvin–Helmholtz instabilities in nonuniform low-beta collisionless plasmas. Hall-MHD analysis shows how the linear properties of the instability are modified by density gradients and magnetization. High-order accurate two-fluid and kinetic simulations, with complete dynamics of finite-mass electrons and ions, are applied to a suite of parameter cases to systematically assess the effects of diamagnetic drift, magnetization, charge separation, and finite Larmor motion. Initialization of exact two-species kinetic equilibria facilitates the study of isolated physical effects and enables detailed cross-comparisons between two-fluid and kinetic simulations, including for cases where ion gyroradii are comparable to gradient scale lengths. For nonuniform plasmas with significant space charge, the results of two-fluid and kinetic simulations are found to disagree with Hall-MHD predictions. Kelvin–Helmholtz instability growth rates, per unit shear, are shown to be smaller when ion diamagnetic drift and $E \times B$ drift are parallel and larger when the two drifts are antiparallel. The effect is attributed to polarization drift in the shear layer, which leads to redistribution of charge, alters the electric field that drives plasma advection, and consequently modifies growth rates. Instability-induced mass transport for different parameters is characterized in terms of the flux across the shear layer and a simplified diffusion model. Distribution functions from kinetic simulations are shown to deviate substantially from Maxwellian reconstructions, indicating the importance of kinetic physics during the nonlinear phase of the instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

An operating system for future aerospace vehicle computer systems

The requirements for future aerospace vehicle computer operating systems are examined in this paper. The computer architecture is assumed to be distributed with a local area network connecting the nodes. Each node is assumed to provide a specific functionality. The network provides for communication so that the overall tasks of the vehicle are accomplished. The O/S structure is based upon the concept of objects. The mechanisms for integrating node unique objects with node common objects in order to implement both the autonomy and the cooperation between nodes is developed. The requirements for time critical performance and reliability and recovery are discussed. Time critical performance impacts all parts of the distributed operating system; e.g., its structure, the functional design of its objects, the language structure, etc. Throughout the paper the tradeoffs - concurrency, language structure, object recovery, binding, file structure, communication protocol, programmer freedom, etc. - are considered to arrive at a feasible, maximum performance design. Reliability of the network system is considered. A parallel multipath bus structure is proposed for the control of delivery time for time critical messages. The architecture also supports immediate recovery for the time critical message system after a communication failure.

Foudriat, E. C.↗
DOE OSTI2023

Semantic embedding for quantum algorithms

The study of classical algorithms is supported by an immense understructure, founded in logic, type, and category theory, that allows an algorithmist to reason about the sequential manipulation of data irrespective of a computation’s realizing dynamics. As quantum computing matures, a similar need has developed for an assurance of the correctness of high-level quantum algorithmic reasoning. Parallel to this need, many quantum algorithms have been unified and improved using quantum signal processing (QSP) and quantum singular value transformation (QSVT), which characterize the ability, by alternating circuit ansätze, to transform the singular values of sub-blocks of unitary matrices by polynomial functions. However, while the algebraic manipulation of polynomials is simple (e.g., compositions and products), the QSP/QSVT circuits realizing analogous manipulations of their embedded polynomials are non-obvious. This work constructs and characterizes the runtime and expressivity of QSP/QSVT protocols where circuit manipulation maps naturally to the algebraic manipulation of functional transforms (termed semantic embedding). In this way, QSP/QSVT can be treated and combined modularly, purely in terms of the functional transforms they embed, with key guarantees on the computability and modularity of the realizing circuits. We also identify existing quantum algorithms whose use of semantic embedding is implicit, spanning from distributed search to proofs of soundness in quantum cryptography. The methods used, based in category theory, establish a theory of semantically embeddable quantum algorithms, and provide a new role for QSP/QSVT in reducing sophisticated algorithmic problems to simpler algebraic ones.

Physics↗
DOE OSTI2023

Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory

With the growing reliance of modern supercomputers on accelerator-based architecture such a graphics processing units (GPUs), the development and optimization of electronic structure methods to exploit these massively parallel resources has become a recent priority. While significant strides have been made in the development GPU accelerated, distributed memory algorithms for many modern electronic structure methods, the primary focus of GPU development for Gaussian basis atomic orbital methods has been for shared memory systems with only a handful of examples pursing massive parallelism. Here in this work, we present a set of distributed memory algorithms for the evaluation of the Coulomb and exact exchange matrices for hybrid Kohn–Sham DFT with Gaussian basis sets via direct density-fitted (DF-J-Engine) and seminumerical (sn-K) methods, respectively. The absolute performance and strong scalability of the developed methods are demonstrated on systems ranging from a few hundred to over one thousand atoms using up to 128 NVIDIA A100 GPUs on the Perlmutter supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The DEAL.II finite element library: Design, features, and insights

DEAL.II is a state-of-the-art finite element library focused on generality, dimension-independent programming, parallelism, and extensibility. In this paper, we outline its primary design considerations and its sophisticated features such as distributed meshes, h p -adaptivity, support for complex geometries, and matrix-free algorithms. But DEAL.II is more than just a software library: It is also a diverse and worldwide community of developers and users, as well as an educational platform. We therefore also discuss some of the technical and social challenges and lessons learned in running a large community software project over the course of two decades.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Massively-parallel Lagrangian particle code and applications

Massively-parallel, distributed-memory algorithms for the Lagrangian particle hydrodynamic method (Samulyak et al., 2018) have been developed, verified, and implemented. The key component of parallel algorithms is a particle management module that includes a parallel construction of octree databases, dynamic adaptation and refinement of octrees, and particle migration between parallel subdomains. The particle management module is based on the p4est (parallel forest of k-trees) library. The massively-parallel Lagrangian particle code has been applied to a variety of fundamental science and applied problems. A summary of Lagrangian particle code applications to the injection of impurities into thermonuclear fusion devices and to the simulation of supersonic hydrogen jets in support of laser-plasma wakefield acceleration research has also been presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Tula: Optimizing Time, Cost, and Generalization in Distributed Large-Batch Training

Distributed training increases the number of batches processed per iteration either by scaling-out (adding more nodes) or scaling-up (increasing the batch-size). However, the largest configuration does not necessarily yield the best performance. Horizontal scaling introduces additional communication overhead, while vertical scaling is constrained by computation cost and device memory limits. Thus, simply increasing the batch-size leads to diminishing returns: training time and cost decrease initially but eventually plateaus, creating a knee-point in the time/cost vs. batch-size pareto curve. The optimal batch-size therefore depends on the underlying model, data and available compute resources. Large batches also suffer from worse model quality due to the well-known “generalization gap”. In this paper, we present Tula, an online service that automatically optimizes time, cost, and convergence quality for large-batch training of convolutional models. It combines parallel-systems modeling with statistical performance prediction to identify the optimal batchsize. Tula predicts training time and cost within 7.5−14% error across multiple models, and achieves up to 20× overall speedup and improves test accuracy by ≈9% on average over standard large-batch training on various vision tasks, thus successfully mitigating the generalization gap and accelerating training at the same time.

Tyagi, Sahil [ORNL] (ORCID:0009000783144745)↗
NASA NTRS1993

BLASIM - A computational tool to assess ice impact damage on engine blades

A portable computer code called BLASIM is developed at NASA LeRC to assess the ice impact damage on aircraft engine blades. In addition to the ice impact analyses, the code is also capable of carrying out static, dynamic, resonance margin and flutter analyses. The blade can be solid, hollow, superhybrid or composite material. An optional preprocessor (input generator) is also developed to generate input to the code through interactive process. The blade geometry can be defined either by a series of airfoils at discrete input stations or by a finite element grid. The code employs a coarse fixed finite element mesh with triangular plate finite elements and has quick turnaround time. The ice piece is modeled as an equivalent spherical object and has the velocity opposite to that of the aircraft with direction parallel to the engine axis. For the local impact damage assessment, the impact force is considered as a distributed load acting over a region around the impact point and the average radial strain of the finite elements along the leading edge is taken as a measure of the local damage. To estimate the damage at the blade root, the impact is considered to be an impulse and a combined stress failure criteria is employed. Parametric studies for local and root ice impact damage, and post-impact dynamics are discussed for solid and composite blades.

Reddy, E. S.↗
DOE OSTI2023

Towards Lightweight Data Integration Using Multi-Workflow Provenance and Data Observability

Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Edge-to-Cloud continuum. Integrated data analysis plays a crucial role in scientific discovery, especially in the current AI era, by enabling Responsible AI development, FAIR, Reproducibility, and User Steering. However, the heterogeneous nature of science poses challenges such as dealing with multiple supporting tools, cross-facility environments, and efficient HPC execution. Building on data observability, adapter system design, and provenance, we propose MIDA: an approach for lightweight runtime Multi-workflow Integrated Data Analysis. MIDA defines data observability strategies and adaptability methods for various parallel systems and machine learning tools. With observability, it intercepts the dataflows in the background without requiring instrumentation while integrating domain, provenance, and telemetry data at runtime into a unified database ready for user steering queries. We conduct experiments showing end-to-end multi-workflow analysis integrating data from Dask and MLFlow in a real distributed deep learning use case for materials science that runs on multiple environments with up to 276 GPUs in parallel. We show near-zero overhead running up to 100,000 tasks on 1,680 CPU cores on the Summit supercomputer.

Santos Souza, Renan↗
NASA NTRS2003

Unified Models of Turbulence and Nonlinear Wave Evolution in the Extended Solar Corona and Solar Wind

The PI (Cranmer) and Co-I (A. van Ballegooijen) made significant progress toward the goal of building a "unified model" of the dominant physical processes responsible for the acceleration of the solar wind. The approach outlined in the original proposal comprised two complementary pieces: (1) to further investigate individual physical processes under realistic coronal and solar wind conditions, and (2) to extract the dominant physical effects from simulations and apply them to a one-dimensional and time-independent model of plasma heating and acceleration. The accomplishments in the report period are thus divided into these two categories: 1a. Focused Study of Kinetic MHD Turbulence. We have developed a model of magnetohydrodynamic (MHD) turbulence in the extended solar corona that contains the effects of collisionless dissipation and anisotropic particle heating. A turbulent cascade is one possible way of generating small-scale fluctuations (easy to dissipate/heat) from a pre-existing population of low-frequency Alfven waves (difficult to dissipate/heat). We modeled the cascade as a combination of advection and diffusion in wavenumber space. The dominant spectral transfer occurs in the direction perpendicular to the background magnetic field. As expected from earlier models, this leads to a highly anisotropic fluctuation spectrum with a rapidly decaying tail in the parallel wavenumber direction. The wave power that decays to high enough frequencies to become ion cyclotron resonant depends on the relative strengths of advection and diffusion in the cascade. For the most realistic values of these parameters, though, there is insufficient power to heat protons and heavy ions. The dominant oblique waves undergo Landau damping, which implies strong parallel electron heating. We thus investigated the nonlinear evolution of the electron velocity distributions (VDFs) into parallel beams and discrete phase-space holes (similar to those seen in the terrestrial magnetosphere) which are an alternate means of heating protons via stochastic interactions similar to particle-particle collisions. 1b. Focused Study of the Multi-Mode Detailed Balance Formalism. The PI began to explore the feasibility of using the "weak turbulence," or detailed-balance theory of Tsytovich, Melrose, and others to encompass the relevant physics of the solar wind. This study did not go far, however, because if the "strong" MHD turbulence discussed above is a dominant player in the wind's acceleration region, this formalism is inherently not applicable to the corona. We will continue to study the various published approaches to the weak turbulence formalism, especially with an eye on ways to parameterize nonlinear wave reflection rates. 2. Building the Unified Model Code Architecture. We have begun developing the computational model of a time-steady open flux tube in the extended corona. The model will be "unified" in the sense that it will include (simultaneously for the first time) as many of the various proposed physical processes as possible, all on equal footing. To retain this generality, we have formulated the problem in two interconnected parts: a completely kinetic model for the particles, using the Monte Carlo approach, and a finite-difference approach for the self-consistent fluctuation spectra. The two codes are run sequentially and iteratively until complete consistency is achieved. The current version of the Monte Carlo code incorporates gravity, the zero-current electric field, magnetic mirroring, and collisions. The fluctuation code incorporates WKJ3 wave action conservation and the cascade/dissipation processes discussed above. The codes are being run for various test problems with known solutions. Planned additions to the codes include prescriptions for nonlinear wave steepening, kinetic velocity-space diffusion, and multi-mode coupling (including reflection and refraction).

Cranmer, Steven R.↗
NASA NTRS1997

Communication Studies of DMP and SMP Machines

Understanding the interplay between machines and problems is key to obtaining high performance on parallel machines. This paper investigates the interplay between programming paradigms and communication capabilities of parallel machines. In particular, we explicate the communication capabilities of the IBM SP-2 distributed-memory multiprocessor and the SGI PowerCHALLENGEarray symmetric multiprocessor. Two benchmark problems of bitonic sorting and Fast Fourier Transform are selected for experiments. Communication-efficient algorithms are developed to exploit the overlapping capabilities of the machines. Programs are written in Message-Passing Interface for portability and identical codes are used for both machines. Various data sizes and message sizes are used to test the machines' communication capabilities. Experimental results indicate that the communication performance of the multiprocessors are consistent with the size of messages. The SP-2 is sensitive to message size but yields a much higher communication overlapping because of the communication co-processor. The PowerCHALLENGEarray is not highly sensitive to message size and yields a low communication overlapping. Bitonic sorting yields lower performance compared to FFT due to a smaller computation-to-communication ratio.

Sohn, Andrew↗
DOE OSTI2020

2020 IEEE PES Innovative Smart Grid Technologies Europe (ISGT-Europe)

Recent proliferation of distributed energy sources in distribution or sub-transmission systems necessitates close monitoring of these three-phase power grids which typically operate under unbalanced loading conditions. Unlike the transmission systems where the network equations are commonly based on the positive sequence component models, a detailed three phase model will have to be used in implementing network applications for these systems. In the specific case of the state estimator, where measurement and parameter errors may bias the solution, bad data and parameter error detection algorithms should also be incorporated. Implementing the state estimator and error detection algorithms for three-phase systems impose additional computational burden and modifications to the state estimation code. This paper proposes a practical solution to avoid these issues by using synchronized phasor measurements and modal decoupling. The previously developed parameter error detection algorithm based on the normalized Lagrange multipliers (NLM) test is applied to the measurements independently in each mode in parallel, not only saving CPU time but also avoiding new code development for a three-phase estimator. Different parameter error scenarios are created and tested to verify the effectiveness of the proposed error detection approach.

Khalili, Ramtin↗
NASA NTRS1988

Two-Dimensional Sequential and Concurrent Finite Element Analysis of Unstiffened and Stiffened Aluminum and Composite Panels with Hole

The results of a detailed investigation of the distribution of stresses in aluminum and composite panels subjected to uniform end shortening are presented. The focus problem is a rectangular panel with two longitudinal stiffeners, and an inner stiffener discontinuous at a central hole in the panel. The influence of the stiffeners on the stresses is evaluated through a two-dimensional global finite element analysis in the absence or presence of the hole. Contrary to the physical feel, it is found that the maximum stresses from the glocal analysis for both stiffened aluminum and composite panels are greater than the corresponding stresses for the unstiffened panels. The inner discontinuous stiffener causes a greater increase in stresses than the reduction provided by the two outer stiffeners. A detailed layer-by-layer study of stresses around the hole is also presented for both unstiffened and stiffened composite panels. A parallel equation solver is used for the global system of equations since the computational time is far less than that using a sequential scheme. A parallel Choleski method with up to 16 processors is used on Flex/32 Multicomputer at NASA Langley Research Center. The parallel computing results are summarized and include the computational times, speedups, bandwidths, and their inter-relationships for the panel problems. It is found that the computational time for the Choleski method decreases with a decrease in bandwidth, and better speedups result as the bandwidth increases.

Razzaq, Zia↗
DOE OSTI2022

Accelerating Simulation for High-Fidelity PV Inverter System Reliability Assessment with High-Performance Computing

The overall cost of photovoltaic (PV) systems has shown a downward trend during the last decade; however, PV inverter failures account for the highest cost of operation and maintenance. To address this, reliability tools with powerful computation and better accuracy are required for the lifetime prediction and degradation evaluation of PV inverters. This paper proposes an event-driven parallel computing-based simulator. The proposed simulator applies high-performance computing techniques and other accessory optimization techniques-including cluster merging, adaptive model updates, and steady-state identification-to make reliability assessments for PV inverters under given input mission profiles and operating conditions with high efficiency and high fidelity. The main idea of the simulator and its workflow are introduced. Then, a demo PV inverter system simulator is implemented, and the speedup of the total simulations of the switching model reaches 123.03 times.

high-performance computing↗
DOE OSTI2025

Computational Modeling of Graphite Degradation due to Molten Salt Infiltration and Wear

Molten-salt reactors (MSRs) represent a promising next-generation reactor design, with graphite serving as a moderator and/or reflector in several designs. However, due to limited experimental data and operational experience, a technical understanding of the structural integrity of graphite in molten salt environments remains incomplete. This report presents a modeling-based evaluation of graphite degradation in MSR environments, focusing on the effects of salt infiltration in fuel salt-based designs and surface wear in pebble bed reactor designs. The objective of this study is to enhance understanding of the structural integrity challenges posed by these degradation mechanisms and to provide a framework for assessing graphite behavior in MSRs. The first part of the report investigates the phenomenon of molten salt infiltration into graphite. This infiltration occurs when molten salt permeates the interconnected pore structure of the graphite moderator, driven by factors such as pressure differentials and the physical properties of both the salt and graphite. The infiltration process is influenced by characteristics of the pore structure, viscosity of the molten salt, and the interfacial energies between the graphite, salt, and the atmosphere within the graphite pore. Utilizing a coupled multiphysics modeling approach with Grizzly software, the study evaluates the stress induced by internal heat sources due to infiltration, which can lead to structural concerns. This evaluation is crucial for understanding how infiltration affects the mechanical integrity of graphite components in MSRs. The study considers the Molten-Salt Reactor Experiment (MSRE) graphite stringer geometry due to the availability of relevant data. Through detailed finite element analysis, the study examines stress distributions at varying infiltration percentages, revealing that stress levels increase with higher amounts of infiltration. Rare-event simulations, using the parallel subset simulation (PSS) framework, further quantify the failure probabilities under input uncertainties, with a user-specified failure metric. The PSS framework also identifies critical input parameters that significantly affect the stress values, including infiltration amount, thermal conductivity, and power density. Additionally, considering realistic reactor scenarios, the analysis was performed to account for the combined effects of radiation and infiltration, and modeling strategies on how to analyze new reactor designs or new graphite grades are discussed. The second part of the report focuses on wear mechanisms in pebble bed-based MSRs. As graphite fuel pebbles interact with the graphite reflector block, wear can result in material loss and the formation of surface defects, which may act as stress concentrators. A similar multiphysics modeling framework is employed to assess the impact of wear on the structural integrity of graphite components. This study considers a generic fluoride-cooled high-temperature reactor (gFHR) design due to the availability of comprehensive data. Worst-case scenario dimensions of the reflector blocks were analyzed under thermal and radiation conditions. Subsequently, wear in the form of idealized pits and grooves is modeled on the inner surface of the graphite block, with the maximum stress from previous simulations. The simulations show that groove-type defects are more detrimental than pits, leading to higher stress concentrations. Considering worst-case simulation scenarios and experimental wear rates, it was determined that the formation of a surface defect critical enough to affect the stress may not be possible in a gFHR design. Overall, the findings of this research contribute to the development of robust modeling tools for predicting graphite behavior under various operational conditions in MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Machine Committee Framework for Power Grid Disturbances Analysis Using Synchrophasors Data

Events detection is a key challenge in power grid frequency disturbances analysis. Accurate detection of events is crucial for situational awareness of the power system. In this paper, we study the problem of events detection in power grid frequency disturbance analysis using synchrophasors data streams. Current events detection approaches for power grid rely on individual detection algorithm. This study integrates some of the existing detection algorithms using the concept of machine committee to develop improved detection approaches for grid disturbance analysis. Specifically, we propose two algorithms—an Event Detection Machine Committee (EDMC) algorithm and a Change-Point Detection Machine Committee (CPDMC) algorithm. Both algorithms use parallel architecture to fuse detection knowledge of its individual methods to arrive at an overall output. The EDMC algorithm combines five individual event detection methods, while the CPDMC algorithm combines two change-point detection methods. Each method performs the detection task separately. The overall output of each algorithm is then computed using a voting strategy. The proposed algorithms are evaluated using three case studies of actual power grid disturbances. Compared with the individual results of the various detection methods, we found that the EDMC algorithm is a better fit for analyzing synchrophasors data; it improves the detection accuracy; and it is suitable for practical scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2014

Method and Apparatus of Multiplexing and Acquiring Data from Multiple Optical Fibers Using a Single Data Channel of an Optical Frequency-Domain Reflectometry (OFDR) System

A method and system for multiplexing a network of parallel fiber Bragg grating (FBG) sensor-fibers to a single acquisition channel of a closed Michelson interferometer system via a fiber splitter by distinguishing each branch of fiber sensors in the spatial domain. On each branch of the splitter, the fibers have a specific pre-determined length, effectively separating each branch of fiber sensors spatially. In the spatial domain the fiber branches are seen as part of one acquisition channel on the interrogation system. However, the FBG-reference arm beat frequency information for each fiber is retained. Since the beat frequency is generated between the reference arm, the effective fiber length of each successive branch includes the entire length of the preceding branch. The multiple branches are seen as one fiber having three segments where the segments can be resolved. This greatly simplifies optical, electronic and computational complexity, and is especially suited for use in multiplexed or branched OFS networks for SHM of large and/or distributed structures which need a lot of measurement points.

Parker, Jr., Allen R↗