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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

PARETO 0.9.0 Release

PARETO 0.9.0 Release. Highlights: New Features - Initial beneficial reuse implementation - Post-optimization timing for infrastructure buildout Bug Fixes - Address Pyomo solver bug for UI Gurobi solve - Update Toy Case Study to feasible data for hydraulics post_process - Update Jupyter notebook for fall release UI Updates - Added functionality to optimize with hydraulics options - Added new plots to KPI dashboard for water quality and hydraulics timelines

PARETO,PARETO-UI,PSE,Process Systems Engineering,P↗
DOE OSTI2024

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗
DOE OSTI2025

python-regionalizer

A Python module and Jupyter Notebook for data regionalization (i.e., discretizing data to county or community levels).

LCA; data processing↗
DOE OSTI2021

OpenOA: An Open-Source Codebase For Operational Analysis of Wind Farms

OpenOA is an open source framework for operational data analysis of wind energy plants, implemented in the Python programming language. OpenOA provides a common data model, high level analysis workflows, and low-level convenience functions that engineers, analysts, and researchers in the wind energy industry can use to facilitate analytics workflows on operational data sets. OpenOA contains documentation, worked out examples in Jupyter notebooks, and a corresponding example dataset from the Engie Renewable’s La Haute Borne Dataset.

17 WIND ENERGY↗
DOE OSTI2021

TX$^2$: Transformer eXplainability and eXploration

The Transformer eXplainability and eXploration (Martindale & Stewart, 2021), or TX 2 software package, is a library designed for artificial intelligence researchers to better understand the performance of transformer models (Vaswani et al., 2017) used for sequence classification. The tool is capable of integrating with a trained transformer model and a dataset split into training and testing populations to produce an ipywidget (Project Jupyter Contributors, 2021) dashboard with a number of visualizations to understand model performance with an emphasis on explainability and interpretability. The TX 2 package is primarily intended to integrate into a workflow centered around Jupyter Notebooks (Kluyver et al., 2016), and currently assumes the use of PyTorch (Paszke et al., 2019) and Hugging Face transformers library (Wolf et al., 2020). The dashboard includes visualization and data exploration features to aid researchers, including an interactive UMAP embedding graph (McInnes et al., 2018) to understand classification clusters, a word salience map that can be updated as researchers alter textual entries in near real time, a set of tools to understand word frequency and importance based on the clusters in the UMAP embedding graph, and a set of traditional confusion matrix analysis tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

IBM Open Science Price - SWAP Gate Challenge

On November 30, 2020, IBM announced an open science price competition aimed at improving the fidelity of a SWAP gate on their 7 qubit Quantum system named ”Casablanca”. The details of the SWAP gate problem was outlined in a Jupyter notebook, which utilizes the IBM developed open source package Qiskit. The participants were allowed to work in teams with up to five people and restricted to only use open source software in solving the problem. Their results were due on April 16, 2021. Our approach to solving the SWAP gate challenge is based on the quantum optimal control techniques implemented in our open source packages Juqbox.jl and Quandary. The results from the optimal control approach is only as good as the accuracy in the description of the quantum system dynamics, characterized by a Hamiltonian model that was provided by IBM. Based on the calibrated control pulses IBM provide for the standard gate set, we developed a reverse engineering approach to calibrate our computational model. Techniques were developed to translate between Qiskit’s pulse representation and the B-spline formulation used in Juqbox and Quandary. The fidelity of the optimized pulse sequences were estimated using Qiskit’s randomized bench marking techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

simple_RDE_model

Jupyter notebook containing a simple rotating detonation engine model to generate synthetic data for exploring data analysis techniques.

42 ENGINEERING↗
DOE OSTI2023

Testing Job Submission to FermiGrid via Dask on the Fermilab Elastic Analysis Facility

Over the course of a summer internship, Jobsub Lite task submission and Dask operations were tested in development and production EAF at Fermilab, first via terminal and subsequently via Jupyter notebook cell. Testing allowed for development of a script available to EAF users that expands and makes easier access to parallel computing resources at Fermilab and associated sites.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Another Set of Python Tools for Visualizing and Manipulating Small-Angle Neutron Scattering Data: Descriptions and Examples

The GP-SANS, Bio-SANS and EQ-SANS instruments at ORNL utilize drtsans for data reduction. drtsans is built on Python, and it can be run using python scripts and Jupyter notebooks. The flexibility afforded by Python makes it possible to incorporate additional actions into the scripts used for data reduction, such as analysis and visualization. Here, a new set of tools for visualizing and manipulating SANS data that can be incorporated into the data reduction scripts for the ORNL SANS instruments, or employed during post–processing, is presented that expands the capabilities of the two previously-released tool sets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Quantifying Capital Cost Reduction Pathways for Advanced Nuclear Reactors

The framework developed in this study is provided both as an excel sheet (https://inl.gov/content/uploads/2023/11/Nuclear-Reactor-Cost-Reduction-Pathway-Spreadsheet-Tool.xlsx) and a Python (Jupyter) Notebook (link: https://github.com/accert-dev/ACCERT/tree/main/Cost%20Reduction). Capital cost considerations are one of the primary inhibitors to the large-scale deployment of nuclear power plants. While it is widely accepted that first units will likely be expensive and relatively uncompetitive, it is reasonable to expect that subsequent units, built in relative quick succession, will be cheaper as they benefit from the so-called “learning effects”. However, the large degree of uncertainty associated with this parameter renders it challenging for first movers to invest in the first few expensive units. To resolve this impasse, the U.S. Department of Energy’s Advanced Nuclear Liftoff study advocated for the formation of large, committed order books of plants of the same technology to spread the costs across several units and kickstart the nuclear supply chain. The study also advocated best practices for avoiding overruns and keeping reactors on budget. This report builds on these key recommendations by attempting to quantify specific pathways toward cost reduction for nuclear energy. A capital cost estimation framework was built to untangle the effect of learning into a subset of key cost drivers, referred to as “levers”. Collectively, the choice of these levers is intended to reflect the decision-making of high-level stakeholders like plant owners and the government. In addition to the size of the firm orderbook, these levers included (a) cost drivers that are most often attributed to cost overruns such as architect/engineering (A/E) proficiency, construction proficiency, procurement service proficiency, design completion prior to the start of construction, and design maturity, and (b) cost reduction strategies such as modular construction, cross-site standardization, safety classification of the reactor building, and of the balance of plant. Two advanced reactor designs were leveraged as use cases and bottom-up cost estimates made with assumptions consistent with a well-executed first-of-a-kind project (WE-FOAK, i.e., almost no overruns) were used as baselines for the models. Cost correlations were surveyed from the literature to determine the impact of important variables on projected timelines and costs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

US Department of Energy, Office of Science, High-Performance Computing Facility: 2023 Operational Assessment Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure. As a US Department of Energy (DOE) Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through effective allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world. In calendar year (CY) 2023, the OLCF supported 1,676 users and 598 projects and exceeded all targets for user satisfaction. The facility received an average satisfaction score of 4.52 out of 5 on the annual user survey, and 94% of respondents reported a high satisfaction rate with the OLCF overall. Of the 3,619 user tickets submitted in CY 2023, OLCF staff resolved 97% within 3 business days. The facility opened Frontier to full scientific operations this year. Two projects conducted on Frontier received the Association for Computing Machinery (ACM) Gordon Bell Prize and the Gordon Bell Special Prize for Climate Modeling, and a third earned a nomination as a Gordon Bell Prize finalist. The facility’s previous flagship machine, Summit, gained new life and was extended through 2024 in part to help provide resources to the Integrated Research Infrastructure (IRI) projects and the National Artificial Intelligence Research Resource (NAIRR) pilot program. The facility instantiated an Advanced Computing Ecosystem testbed in part to support IRI workflows. OLCF made interactivity easier and more accessible to users than ever through tools like Jupyter notebooks and workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Mid-circuit Measurement & Branching in QSCOUT: A Ping-Pong Teleportation Exemplar Program

This document is intended to help users program the new mid-circuit measurement (MCM) and classical branching capabilities of the Quantum Scientific Computing Open User Testbed (QSCOUT). Here, we present and explain an exemplar “ping-pong teleportation” program that makes repeated MCM and branching calls. The program is written in Jaqal, the quantum assembly language used by QSCOUT. This document is intended to accompany a companion Jupyter notebook Exemplar_one_bit_teleportation_pingpong.ipynb.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Evidence-based Graph Adversary Mapping (EGRAM) [Poster]

Cybersecurity companies such as CrowdStrike, Dragos, Microsoft and Unit 42 categorize Advanced Persistent Threats (APTs) using their own naming schemes. As a result, these APTs are mapped to different malware sources and campaigns, all from differing sources, leading to inconsistent mapping. Inconsistent mapping causes confusion and adds further obscurity around these groups, making it difficult to track and mitigate APT cyberattacks. The Evidence-based Graph Adversary Mapping (EGRAM) tool remediates the mapping challenge by collecting, updating and converting adversary data and their sources into a valid, codified STIX v2.1 bundle which is then stored in a Neo4j graph database. It utilizes graph traversal methods and centrality analysis to generate actionable information as a Structured Threat Intelligence Graph (STIG), based on user queries. EGRAM exists as Python code and a Jupyter Notebook that acts as a searchable, evidence-based, source of intelligence for APT groups’ artifacts and cyber campaigns.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Dataset_for_Conserved_macromolecular_architecture_of_Poplar_secondary_cell_walls_revealed_by_ssNMR_and_atomistic_modeling

This dataset contains solid-state 13C NMR data and atomistic molecular dynamics simulation files supporting the study of nanoscale secondary cell wall architecture across 13 genetically diverse Populus trichocarpa genotypes grown under uniform greenhouse conditions in 13C-enriched CO2 atmospheres (~89% 13C enrichment).The dataset contains two collections of solid-state 13C NMR data. (1) 200 MHz data (Bruker Avance III HD, 4 mm HX probe, 10 kHz MAS): raw Bruker TopSpin experiment folders and DMFIT-exported ascii spectra for selective and non-selective 1D 13C-13C spin diffusion experiments (3000 ms mixing) used to quantify inter-polymer spatial proximities, and short-mixing (1 ms) reference spectra used for polymeric abundance quantification by spectral deconvolution. (2) 600 MHz data (Bruker Avance III, 1.6 mm PhoenixNMR HXY probe, 30 kHz MAS): raw Bruker TopSpin experiment folders containing 2D CORD, 2D CP-INADEQUATE, and 13C/1H relaxation (T1, T1rho) experiments for all 13 genotypes, with processed Excel workbooks per experiment type. Molecular dynamics simulation code, coordinate files, and analysis scripts (NAMD/CHARMM/Python) for six atomistic cell wall models are included. Summarized ssNMR data are compiled into a single excel file and subjected to statistical analysis. Multivariate analysis code (PCA, Pearson correlation) and summary data are provided as excel worksheets and Jupyter notebooks (Python 3).

09 BIOMASS FUELS↗
DOE OSTI2023

United States Utility-Scale PV Supply Curves 2023

This data packet contains supply curves, hourly generation profiles, and a composite siting exclusion TIFF for utility-scale PV across the contiguous United States. The supply curves offer comprehensive metrics such as capacity (MW), generation (MWh), levelized cost of energy (LCOE), levelized cost of transmission (LCOT), and more for each reV site (~60,000 sites). Hourly generation profiles are available for each reV site and can be matched to the available capacity in the supply curve (refer to the Jupyter Notebook). The composite exclusion TIFF is a single file that delineates areas where PV installations are permissible based on various siting assumptions. This data packet contains information for the Reference and Limited siting scenarios. For further details and citation, please refer to the publication linked below: Lopez, Anthony, Pavlo Pinchuk, Michael Gleason, Wesley Cole, Trieu Mai, Travis Williams, Owen Roberts, Marie Rivers, Mike Bannister, Sophie-Min Thomson, Gabe Zuckerman, and Brian Sergi. 2024. Solar Photovoltaics and Land-Based Wind Technical Potential and Supply Curves for the Contiguous United States: 2023 Edition. Golden, CO: National Renewable Energy Laboratory. NREL/TP-6A20-87843.

2023↗
DOE OSTI2023

United States Land-based Wind Supply Curves 2023

This data packet contains supply curves, hourly generation profiles, and a composite siting exclusion TIFF for land-based wind across the contiguous United States. The supply curves offer comprehensive metrics such as capacity (MW), generation (MWh), levelized cost of energy (LCOE), levelized cost of transmission (LCOT), and more for each reV site (~60,000 sites). Hourly generation profiles are available for each reV site and can be matched to the available capacity in the supply curve (refer to the Jupyter Notebook). The composite exclusion TIFF is a single file that delineates areas where wind installations are permissible based on various siting assumptions. This data packet contains information for the Reference and Limited siting scenarios. The turbine parameters used were a hub-height of 115 meters and a rotor diameter of 170 meters, as obtained from the Annual Technology Baseline (ATB) 2022. For further details and citation, please refer to the publication linked below: Lopez, Anthony, Pavlo Pinchuk, Michael Gleason, Wesley Cole, Trieu Mai, Travis Williams, Owen Roberts, Marie Rivers, Mike Bannister, Sophie-Min Thomson, Gabe Zuckerman, and Brian Sergi. 2024. Solar Photovoltaics and Land-Based Wind Technical Potential and Supply Curves for the Contiguous United States: 2023 Edition. Golden, CO: National Renewable Energy Laboratory. NREL/TP-6A20-87843.

2023↗
DOE OSTI2021

The Dark Energy Survey Data Release 2

In this work, we present the second public data release of the Dark Energy Survey, DES DR2, based on optical/near-infrared imaging by the Dark Energy Camera mounted on the 4 m Blanco telescope at Cerro Tololo Inter-American Observatory in Chile. DES DR2 consists of reduced single-epoch and coadded images, a source catalog derived from coadded images, and associated data products assembled from 6 yr of DES science operations. This release includes data from the DES wide-area survey covering ~5000 deg 2 of the southern Galactic cap in five broad photometric bands, grizY. DES DR2 has a median delivered point-spread function FWHM of g = 1.11'', r = 0.95'', i = 0.88'', z = 0.83'', and Y = 0farcs90, photometric uniformity with a standard deviation of < 3 mmag with respect to Gaia DR2 G band, a photometric accuracy of ~11 mmag, and a median internal astrometric precision of ~27 mas. The median coadded catalog depth for a 1farcs95 diameter aperture at signal-to-noise ratio = 10 is g = 24.7, r = 24.4, i = 23.8, z = 23.1, and Y = 21.7 mag. DES DR2 includes ~691 million distinct astronomical objects detected in 10,169 coadded image tiles of size 0.534 deg2 produced from 76,217 single-epoch images. After a basic quality selection, benchmark galaxy and stellar samples contain 543 million and 145 million objects, respectively. These data are accessible through several interfaces, including interactive image visualization tools, web-based query clients, image cutout servers, and Jupyter notebooks. DES DR2 constitutes the largest photometric data set to date at the achieved depth and photometric precision.

79 ASTRONOMY AND ASTROPHYSICS↗