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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Umbilical Fatigue Analysis for a Wave Energy Converter

Unique umbilical designs for wave energy converters (WECs), including the ability to handle significantly larger motions and loads over long deployments, are often required when conventional marine umbilical designs for offshore oil and gas and offshore wind may not meet the design and cost needs of wave energy technologies. This study details a fatigue analysis of a dynamic power umbilical attached to a two-body floating point absorber WEC system, using the sea states provided for the PacWave testing facilities. The 6 degrees of freedom motion time history for the WEC was simulated, and the motions of the attachment point for the umbilical on the WEC and respective sea states were used to analyze the dynamic motions and fatigue of the connected power umbilical to predict the fatigue life. The results show that the fatigue damage observed is more significant in shallow water, and extensive fatigue damage may occur because of the larger curvature response of the umbilical. The umbilical configurations departing at 90 deg off incoming waves were found to have the highest fatigue life attributed to less extension or compression of the umbilical. However, additional bend stiffener/limiter features may need to be incorporated into the buoyancy section and touchdown regions to minimize curvature-induced fatigue.

50 EE - Wind and Water Power Program - Water (EE-4↗
DOE OSTI2020

Advanced modeling of field enhanced thermionic emission

Shaped emitters are of interest to a broad range of applications in vacuum electronic devices. In particular, thermionic energy converters (TECs) take advantage of shaped emitters to increase the local surface field, thereby extracting more current for a given cathode temperature and applied voltage. However, modeling these devices is challenging; Warp [J.-L. Vay, D. P. Grote, R. H. Cohen, and A. Friedman, Comput. Sci. Discov. 5, 014019 (2012)] is a fully 3D particle-in-cell code capable of handling a wide range of physics problems and is well suited to modeling TECs. Additionally, recent improvements to Warp have enabled the accurate modeling of emitters with arbitrary curved surfaces. Specifically, the inclusion of subgrid resolution for computing the electrostatic potential and the ability to apply mesh refinement for specific areas of interest allow for a more accurate solution to the fields on these surfaces. These improvements coupled with Warp’s ability to handle variable particle weights make it an ideal candidate for simulating these complex devices. In this paper, the authors study the applicability of different subgrid configurations for simulating shaped emission surfaces and field convergence for different mesh-refinement techniques. They then implement a custom weighting algorithm that allows for uniform sampling of emission surfaces with a large variation in the surface electric field. They then use this algorithm to study emission for curved emitters in both the field-enhancement regime and the space-charge regime.

Edelen, Jonathan P. (ORCID:0000000215180652)↗
DOE OSTI2025

A Linear-Complexity Tensor Butterfly Algorithm for Compressing High-Dimensional Oscillatory Integral Operators

This paper presents a multilevel tensor compression algorithm called tensor butterfly algorithm for efficiently representing large-scale and high-dimensional oscillatory integral operators, including Green's functions for wave equations and integral transforms such as Radon transforms and Fourier transforms. The proposed algorithm leverages a tensor extension of the so-called complementary low-rank property of existing matrix butterfly algorithms. The algorithm partitions the discretized integral operator tensor into subtensors of multiple levels and factorizes each subtensor at the middle level as a Tucker-type interpolative decomposition, whose factor matrices are formed in a multilevel fashion. For a d-dimensional (d > 1) integral operator discretized into a 2d-mode tensor with n2d entries, the overall CPU time and memory requirement scale as O(nd), in stark contrast to the O(nd log n) complexity of existing matrix algorithms such as matrix butterfly algorithms and fast Fourier transforms (FFTs), where n is the number of points per direction. When comparing with other tensor algorithms such as quantized tensor train (QTT), the proposed algorithm also shows superior CPU and memory performance for tensor contraction. Remarkably, the tensor butterfly algorithm can efficiently model high-frequency Green's function interactions between two unit cubes, each spanning 512 wavelengths per direction, which represents problems of scale over 512× larger than that existing butterfly algorithms can handle, with the same amount of computation resources. On the other hand, for a problem representing 64 wavelengths per direction, which is the largest size existing algebraic matrix algorithms can handle, our tensor butterfly algorithm exhibits 200x speedups and 30× memory reduction compared with existing ones. Moreover, the tensor butterfly algorithm also permits O(nd)-complexity FFTs and Radon transforms up to d = 6 dimensions.

Kielstra, P Michael↗
DOE OSTI2023

Benchmarking for AI for Science

AI has been instrumental for recent developments in a number of domains of the sciences. With several hundred machine learning (ML) algorithms and models, and numerous AI-specific hardware platforms, a common quest for all scientists working on AI for Science is around the selection of machine learning algorithm(s) to solve their domain-specific scientific problems. A number of different initiatives around AI Benchmarking have been set up and have been useful in understanding the benefits of different ML algorithms for different tasks.However, with the majority of these AI Benchmarking initiatives focusing on the conventional notions of benchmarking, where the focus is purely runtime performance (such as training time or inference time), their suitability for benchmarking different ML algorithms for solving scientific problems has been viewed as a performance problem even though both are hardly the same. To make reasonable, explainable, and justifiable advancements in science using AI, it is critical to focus on the merits of these algorithms in handling different domain science problems. In other words, more emphasis must be given on Benchmarking for AI for Science than AI Benchmarking. The vision of the former is not only to assess the performance of ML algorithms, but also to assess, and understand the benefits and merits of different ML algorithms in handling scientific problems. Benchmarking for AI for Science, instead of pure performance focused AI Benchmarking, has several benefits: (i) it has the potential to offer advances in the sciences, much more rapidly than through pure performance-based AI methods, (ii) it will encourage the community to focus on developing better domain-specific AI techniques, particularly given the provision for being able to benchmark different techniques, and (iii) it will encourage hardware manufacturers to focus on developing science-specific hardware subsystems.

Thiyagalingam, Jeyan↗
DOE OSTI2021

Can Applications Recover from fsync Failures?

We analyze how file systems and modern data-intensive applications react to fsync failures. First, we characterize how three Linux file systems (ext4, XFS, Btrfs) behave in the presence of failures. We find commonalities across file systems (pages are always marked clean, certain block writes always lead to unavailability) as well as differences (page content and failure reporting is varied). Next, we study how five widely used applications (PostgreSQL, LMDB, LevelDB, SQLite, Redis) handle fsync failures. Our findings show that although applications use many failure-handling strategies, none are sufficient: fsync failures can cause catastrophic outcomes such as data loss and corruption. Our findings have strong implications for the design of file systems and applications that intend to provide strong durability guarantees.

Computer Science↗
DOE OSTI2021

cuTS: Scaling Subgraph Isomorphism on Distributed Multi-GPUSystems Using Trie Based Data Structure

Subgraph isomorphism is a pattern-matching algorithm widely used in many domains such as chem-informatics, bioinformatics, databases, and social network analysis. It is computationally expensive and is a proven NP-hard problem. The massive parallelism offered by the GPU hardware is well suited for solving the subgraph isomorphism. However, current GPU implementations are far from the achievable performance. Moreover, the enormous memory requirement of current approaches limits the problem size that can be handled. This work analyzes the fundamental challenges associated with processing the subgraph isomorphism on GPUs and develops an efficient GPU hardware-aware implementation. We also develop a new GPU-friendly trie-based data structure to drastically reduce the intermediate storage space requirement. Hence, our approach runs larger benchmarks than the competitors. We also develop the first distributed sub-graph isomorphism algorithm for GPUs. Our experimental evaluation section demonstrates the efficacy of our approach by comparing the execution time and number of cases that we can handle against the state-of-the-art GPU implementations.

Xiang, Lizhi↗
DOE OSTI2022

Attention-based Aspect Reasoning for Knowledge Base Question Answering on Clinical Notes

Question Answering (QA) in clinical notes has gained a lot of attention in the past few years. Existing machine reading comprehension approaches in clinical domain can only handle questions about a single block of clinical texts and fail to retrieve information about different patients and clinical notes. To handle more complex questions, we aim at creating knowledge base from clinical notes to link different patients and clinical notes, and performing knowledge base question answering (KBQA). Based on the expert annotations in n2c2, we first created the ClinicalKBQA dataset that includes 8,952 QA pairs and covers questions about seven medical topics through 322 question templates. Then, we proposed an attention-based aspect reasoning (AAR) method for KBQA and investigated the impact of different aspects of answers (e.g., entity, type, path, and context) for prediction. The AAR method achieves better performance due to the well-designed encoder and attention mechanism. In the experiments, we find that both aspects, type and path, enable the model to identify answers satisfying the general conditions and produce lower precision and higher recall. On the other hand, the aspects, entity and context, limit the answers by node-specific information and lead to higher precision and lower recall.

Wang, Ping↗
DOE OSTI2023

Enhancing Lithium-Ion Battery Aging Simulations: Coupling a High-Resolution, 3D, Grain-Scale Electromechanical Model to a Single-Particle Model

One of the main goals in modeling lithium-ion batteries is to improve/predict longevity and resilience of new chemistries. Unfortunately, this requires simulation of thousands of charge/discharge cycles, which can be rather time consuming depending on the fidelity of the simulation. The purpose of this talk is to discuss a new modeling framework that couples a high-resolution, continuous damage model (CDM) to a single particle model (SPM) resulting in a good combination of speed and fidelity. In previous work, a 3D, continuum-level chemo-mechanical model was developed to investigate cracking within a single cathode particle comprised of hundreds to thousands of randomly oriented grains. The CDM predicted that particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. Essentially, when neighboring grains were misaligned, they expanded different rates relative to one another leading to high stresses and ultimately the formation of intraparticle cracks. The model predicted that small particles with large grains develop significantly less damage than larger particles with small grains. Finally, the model predicted most of the chemo-mechanical damage accumulates in the first charge after formation. This chemo-mechanical "damage saturation" effect indicated that initial particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced. This led to a need for simulating fatigue-like mechanism that degrade the battery over longer time scales. In order to reach the time scales, need to resolve fatigue-like degradation, the CDM needs to be complemented by a faster model. Therefore, recent efforts have been focused on using results from the CDM to inform parameters within the SPM. These parameters are homogenization factors that are associated with diffusion, particle radius, and/or exchange current density. By coupling the CDM to the SPM, the aging simulation is broken up into two domains: short-term and long-term degradation. The short-term degradation occurs over a single cycle and is handled by the CDM due of its high fidelity, but relatively expensive computational cost. Such mechanism include break-in crack caused by mismatches in grain orientation. The long-term degradation occurs over tens of cycles and is handled by the SPM due it's computational efficiency. Most of the fatigue-like mechanism fall into this category. The eventual goal of this modeling framework is to upscale to a psudo-2D model allowing for full electrode simulation, which are informed by high-fidelity grain-scale simulations.

electrochemistry↗
DOE OSTI2020

Analysis of Electric Vehicle Charging Behavior Patterns with Function Principal Component Analysis Approach

This manuscript focused on analyzing electric vehicles’ (EV) charging behavior patterns with a functional data analysis (FDA) approach, with the goal of providing theoretical support to the EV infrastructure planning and regulation, as well as the power grid load management. 5-year real-world charging log data from a total of 455 charging stations in Kansas City, Missouri, was used. The focuses were placed on analyzing the daily usage occupancy variability, daily energy consumption variability, and station-level usage variability. Compared with the traditional discrete-based analysis models, the proposed FDA modeling approach had unique advantages in preserving the smooth function behavior of the data, bringing more flexibility in the modeling process with little required assumptions or background knowledge on independent variables, as well as the capability of handling time series data with different lengths or sizes. In addition to the patterns revealed in the EV charging station’s occupancy and energy consumption, the differences between EV driver’s charging time and parking time were analyzed and called for the needs for parking regulation and enforcement. The different usage patterns observed at charging stations located on different land-use types were also analyzed.

Engineering↗
DOE OSTI2020

Bindee

Bindee is a clang tool that outputs a simple pybind11 template given a C++ file for efficient generation of C++-Python bindings. Bindee is intended to be a helper tool for minimizing initial user effort and safeguarding against common runtime errors. Bindee relies on two open-source software to produce bindings. Clang's LibTooling enables bindee to traverse a C++ file's AST to pick out bindable variables and functions, or "bindees." PyBind11 is templated, header-only library for generating C++-Python bindings for variables and functions. Operating purely in C++, bindee does not require learning any new API for accomplishing its task. Additionally, picking the correct pybind11 API for a given bindable element is handled without interaction from the user. Any user input is denoted by '@TEXT@' string substitution. Bindee is capable of generating modular bindings for public class methods, public class variables, enumerations, and free functions and variables. Bindings for templates are also supported. For those familiar with pybind11, bindee does not handle trampolines, C++ extensions through lambdas, or custom type casters.

Kimkno, JasonS.↗
DOE OSTI2020

Saloon

Saloon is a Vim plugin that simplifies Python code linter / fixer configuration and usage. Saloon's menu lets developers toggle which static analysis tools to use and delegates those changes to ALE's (Asynchronous Lint Engine) API. Since prospector (python linter aggregate) already handles multiple tools, and is integrated with ALE, most of the actual linting will initially be handled via prospector calls.

Bloss, DavidK.↗
DOE OSTI2021

amerifluxr v1.0.0

An R programmatic interface for querying, handling, and summarizing AmeriFlux (https://ameriflux.lbl.gov/) data and metadata. The target users are those 1) who use data from many AmeriFlux sites, and 2) who handle data from multiple sources, e.g., AmeriFlux, PhenoCam, MODIS. The tentative features include 1) listing the sites with basic site general info, 2) querying how much data & metadata are available, 3) subsetting a target site list for download, 4) parsing data & metadata, 5) cleaning & summarizing data, 6) data visualization and 7) listing target sites' contacts & DOI.

Chu, Housen↗
DOE OSTI2023

Smart Preprocessing & Robust Integration Emulator

To achieve the desired particle size of biomass feedstocks during preprocessing for trouble-free handling and conversion to produce biofuels and bioproducts, the raw materials must undergo a crucial milling process. The particle size of biomass plays a critical role in subsequent biofuel manufacturing, where a larger area-to-volume ratio facilitates efficient synthesis while balancing the impact of moisture on biomass storage. To optimize biofuel production efficiency and overcome these challenges, it is imperative to accurately predict the particle size distribution (PSD) of the biomass in the design of efficient preprocessing systems. The population balance model (PBM), upon empirical calibration and validation, can provide rapid prediction of post-milling PSD of granular biomass. However, PSD has limitations related to mass conservation and the absence of moisture considerations. To overcome these drawbacks, a deep learning model called the enhanced deep neural operator (DNO+) is implemented in the code. This model not only retains the capabilities of the PBM in handling complex mapping functions but also incorporates additional factors influencing the system. By considering various experimental conditions such as sieve size and moisture content, the trained DNO+ model can effectively predict the PSD after milling for any given feed PSD. To further reduce the reliance on experimental data, the PBM is integrated into the DNO+ model, resulting in a physics-informed DNO+ (PIDNO+). The PIDNO+ model addresses the non-conservation of quality exhibited by the PBM while inheriting the advantages of the DNO+ model in considering multiple influencing factors. Moreover, the PIDNO+ model significantly reduces the amount of data required for model training. Both deep learning models, i.e., DNO+ and PIDNO+, are excellent in predictive performance, offering swift and accurate machine learning-based predictions. The use of this code that contains these models will assist in guiding the proper milling equipment selection and operational conditions to achieve the desired biomass particle sizes, ensuring the efficiency of subsequent biofuel and bioproduct production processes.

Xia, Yidong [Idaho National Laboratory (INL), Idah↗
DOE OSTI2024

DualSPHysics-INL

Funded by the DOE's Bioenergy Technology Office through the Feedstock-Conversion Interface Consortium, INL researchers developed this code to model biomass freestock flow in various handling equipment, such as hoppers and augers. Built on top of an existing open-source code DualSPHysics (https://dual.sphysics.org/) , the enrichment includes modification of the mass conservation equation that switching tracking density to void ratio, adding a hypoplastic constitutive law to better capture the flow physics of this type of material and implementing a novel boundary condition that can handle the dynamic contact between material and equipment. All implementation were realized via Nvidia CUDA, so GPU accelaration can be leveraged to signifiantly speed up the computational process.

Jin, Wencheng [Idaho National Laboratory (INL), Id↗
DOE OSTI2024

Pando

SAND2025-02006O Pando is a distributed data analysis software tool. It is designed to handle large-scale graph analysis problems, often with a specific focus on blockchain/cryptocurrency data. Pando handles scalability by running on a distributed cluster of servers. Users can customize the output using the program’s plugin/extension design methodology. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Gabert, Kasimir↗
DOE OSTI2025

Openpronghorn

OpenPronghorn is a simulation tool specifically tailored for modeling thermal-hydraulic phenomena in advanced nuclear reactors. It is built on the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open-source platform that facilitates the development of high-performance scientific computing applications. OpenPronghorn solves the Navier-Stokes equations, which describe the conservation of mass, momentum, and energy in fluid flows, using the finite volume numerical method. The code supports a wide range of fluid flow conditions that are applicable to nuclear reactors, including incompressible and weakly compressible flows, as well as single-phase and multiphase flows. It is capable of modeling diverse flow regimes, including laminar and turbulent flows, using various turbulence models such as the standard k-epsilon models, the v2f model, and the mixing length model. For multiphase flows, OpenPronghorn employs a mixture a Eulerian modeling approach with mixture, drift-flux, and full Eulerian models, and includes open-sourced interfacial transfer correlations for drag, exchange, and heat transfer coming from the scientific literature. OpenPronghorn's modular design allows it to handle multiscale simulations, ranging from detailed Reynolds-Averaged Navier Stokes (RANS) simulations to coarse-mesh and lumped parameter models. This flexibility enables users to perform high-fidelity simulations of specific reactor components as well as system-level analyses of entire reactor circuits. The code can be coupled with other MOOSE-based tools using the MultiApp system, allowing for the transfer of coupling quantities such as mass flow rates, heat fluxes, and boundary conditions between different simulation scales. One of the main features of OpenPronghorn is the it includes built-in validation cases from the open-source scientific literature and supports the implementation of user-defined models and correlations through MOOSE's FunctorMaterial system. OpenPronghorn is designed to be computationally efficient, leveraging the SIMPLE projection method for large-scale problems, and can be run on high-performance computing systems to handle the extensive computational demands of detailed reactor simulations. Overall, OpenPronghorn is a versatile and robust tool that provides critical insights into the thermal-hydraulic behavior of advanced nuclear reactors, supporting the design, safety, and optimization of next-generation nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗
DOE OSTI2020

Python Library For Reading Endf Files

Evaluated Nuclear Data Files (ENDFs) are the most common way to store nuclear data. However, they are a hard-to-read format that few people or programs can read. OpenMC, an open source project, developed a way to read Evaluated Nuclear Data Files (ENDF) into a useful form for python. This library will remove all unnecessary code from OpenMC to focus solely on reading nuclear data. In addition, it will handle parsing Grouped cross-section data from an ENDF file, which OpenMC does not currently handle.

Gale, MicahD.↗
DOE OSTI2022

Energy Exascale Earth System Model v2.0.2

Second patch release of v2.0.0 Changes since v2.0.1 [Important change] Add and update SSP370 and SSP585 cases, add tests, fix use-case files, Change ocean and sea-ice IC for ARRM60to10. [EAM] allow thetaxx as a CAM_TARGET, enable northamericax4v1pg2_WC14to60E2r3 for AMIP, fix ndrop initialization, allow up to 15 history files. [EAMxx] allow use of readnl [EAM-MMF] allow transient SST case for C++ MMF, remove specific task/thread count for ESMT test, modify the variance transport diagnostic, reorg tests, [HOMME] Allow optional sponge layer. [ELM] add 2 land-atm compsets, update FATES to API 17.0.0, allow FATES sp mode, allow ELM harvest to drive FATES harvest, fix memleaks, reduce test build times, modified parameters for miscanthus and switchgrass based on calibration [MPAS-Ocean] turn on ocean BGC in BGC cases, fix interface locations for 60L PHC grid, add mode spec to conservation check streams, allow oRRS18to6v3 grid to run with JRA, update ocean and sea ice ICs for ARRM60to10 (needed for v2), GPU port of thickness tendency, add CMPASO-JRA1p4, [MPAS framework] Add new reproducible global sum module for MPAS components, Add mostRecentAccessTime attribute to streams [MPAS-landice] Update MALI version and Greenland mesh [MPAS-seaice] add single-cell test case, fix BGC restart, Adds omp critical directives for ice warnings seen on cori. [CIME] Fix component namelist creation bugs when NINST>1, add OpenACC, OpenMP and CXX GPU tests, fix nonBFB tests, stop using config_compilers, reduce ELM test build times with shared executable, update OpenMPI on Chrysalis. fix baseline handling, provenance handling with update to cime6.0.33, also use component-specific config_pes files and add the ones from master [Machine updates] cori modules after maint, Chrysalis to OpenMPI-4.1.3 [run_e3sm] replace default case name and group. [Externals] update SCORPIO to 1.3.2

ECP↗