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DOE OSTI2024

Experiments and Project-Based Enhancements for STEM Learning

Motivating K-12 students to pursue careers in science, technology, engineering, and mathematics (STEM) is an effort that requires consistent engagement. Throughout the K-12 student timeline, STEM educators need to continuously pivot their teaching and update their educational materials to motivate the next generation of students. Once students begin their undergraduate education, university professors need to encourage them to consider pursuing graduate studies to ensure that a qualified future workforce can be developed for research and teaching. In this paper, we present our work on developing STEM materials for K-12 student engagement. Our K-12 materials target the grid integration of hydrogen assets that are suitable to engage students in the classroom. Our undergraduate materials target hands-on projects and collaboration with industry to connect classroom learning with real-world applications and needs in renewable energy. Our work leverages available open-source models and tools to create projects for undergraduate students and motivate their interest in pursuing research topics in graduate-level education.

ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Chordly

Chordly is a JavaScript library that lets you detect and act upon user keyboard input. This is accomplished by wiring Chordly up to listen for key sequences, known as chords, entered by a user. 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. SAND2019-11084 M

Engelhardt, Robert↗

DOE OSTI2020

Gemma

Gemma is a linear electromagnetic code developed at Sandia National Laboratories based on the method of moments in the frequency domain, with the objective of supporting next-generation high-performance computing (HPC) platforms. Gemma provides full-wave computational electromagnetic modeling. As an example, Gemma models electromagnetic radiation (EMR) environments, including those resulting from radar (both hostile and friendly) and high-power-electromagnetic (HPEM) sources. Gemma refers to a suite of source code and scripts that aid in compiling, running, and testing the primary Gemma executable, which can be compiled for diverse platforms including CPUs, GPUs, and MICs by leveraging Sandia's Kokkos library.SAND2019-15221 M 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.

Zinser, Brian↗

DOE OSTI2020

miniGAN: a proxy application for generative adversarial networks

miniGAN is a python-based machine learning proxy application for generative adversarial networks, developed through the Exascale Computing Project's (ECP) ExaLearn project. It will be included in the main ECP proxy application and the machine learning proxy application suite. It is a proxy for ECP cosmological(CosmoFlow, ExaGAN) and wind energy(ExaWind) applications. miniGAN will be distributed to ECP hardware vendors as part of hardware codesign. miniGAN uses the Numpy/PyTorch/TensorFlow/Keras/Horovod frameworks and libraries. It also relies on the Kokkos and Kokkos-Kernels packages developed here at Sandia Labs. SAND2020-2038 M 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.

Ellis, John↗

DOE OSTI2020

Java Software Extensibility Library

The Java Software Extensibility Library provides tools that help Java software developers produce flexible and extensible Java applications. The major components include a Plugin Library and a Polymorphic Map data structure. The Plugin Library provides developers with a Plugin Registry and a standard pattern for designing, versioning, registering, retrieving, and annotating plugins. It also enables advanced capabilities such as loading plugins at runtime, and creating/loading encrypted plugin packages. The Polymorphic Map data structure facilitates the storage and retrieval of objects of varying types within a single data structure; while maintaining type safety. The library also provides a standard design pattern for producing application-specific "Domain Maps" and "Closed Domain Maps".SAND2020-3816 M 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.

Fleschute, Christopher↗

DOE OSTI2019

FRACHELM v.1.0

Program uses linear, nodal finite elements to solve the space-fractional Helmholtz equation over segments of an arbitrary 3D graph.SAND2019-11082 M 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.

Weiss, Chester↗

DOE OSTI2020

Lithium-Ion Battery Vent Gas Tools

The spreadsheets and Python scripts are used to determine vent gas hazard metrics (i.e. flammability limits, flame speed, etc.). These scripts and spreadsheets use open source literature to determine these hazard metrics. SAND2020-12540 O 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.

Baird, Austin↗

DOE OSTI2019

TestSNAP

TestSNAP is a stand-alone prototype of the SNAP force kernel used in the LAMMPS molecular dynamics code. It contains synthetic input data (neighbor atom positions) and reference output data (forces on atoms) for several different SNAP models. The prototype performs the force calculation repeatedly, checking the results against the reference data. At the end it reports the grind time [msec/atomstep] and RMS force error [eV/A]. This allows performance experts to quickly test new hardware and software strategies, obtain a realistic performance estimate and verify that the computation was performed correctly. SAND2019-12243 M 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.

Thompson, Aidan↗

DOE OSTI2020

Spitfire

Spitfire is a Python and C++ code for solving canonical flame structure problems to build tabulated chemistry models for the simulation of large-scale fires. Spitfire is a modular software with performance critical code written in C++, abstract numerical methods provided in Python, and chemistry tabulation techniques made convenient for high-level use by non-expert users. It facilitates both high-level usage and novel research in tabulated chemistry approaches. SAND2019-11791 M 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.

Armstrong, Elizabeth↗

DOE OSTI2020

Automatic Report Generator (ARG)

ARG is a computational simulation tool. It generates user-configurable reports, including graphs and images, from user data in various formats.SAND2019-9525 M 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.

Clay, Robert↗

DOE OSTI2020

Prescient

Prescient is a software package for simulating electricity grid (power systems) operations, under both nominal and extreme event conditions. Core functionality includes discrete event simulation, commitment and dispatch optimization, probabilistic scenario construction, and reporting/visualization. SAND2020-0169 M 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.

Watson, Jean Paul↗

DOE OSTI2020

Avatar Tools

Supervised machine learning is the process of using past experience to predict the future. "Ensembles" are a machine-learning meta-method that can be applied to most machine learning algorithms. Ensembles generally greatly improve accuracy, reduce or remove most of the design issues presented by machine learning, and are admirably suited to parallel and distributed computation. The Avatar Tools codes are an implementation of ensembles specifically for decision trees. Some features that distinguish Avatar Tools from other "ensembles for decision trees" codes are: (1) Does the bookkeeping necessary for out of bag (OOB) validation. (2) Can use OOB validation to automatically determine optimal ensemble size. (3) Provides an MPI-based parallel implementation, for distributed operation. (4) Provides convenient tools for cross-validation, to assess the accuracy provided by a training set. SAND2020-3858 M 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.

Siefert, Christopher↗

DOE OSTI2019

hfem3d_parfrac

A toolkit of FORTRAN90 and PYTHON routines to automate calculation of electrostatic response of fracture networks in geomaterials, specifically designed for distributed memory compute clusters. Software integrates pre-processing of Cubit-generated meshes with calculations from HFEM3D and post-processing for aggregate data analysis.SAND2019-11083 M 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.

Beskardes, Gungor↗

DOE OSTI2020

Peak Map

Peak Map is a software tool that allows users to generate nuclide library files for gamma spectroscopy from a nuclear data reference. SAND2019-15220 M 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.

Leonard, Elliott↗

DOE OSTI2020

Sandia Injury Biomechanics Laboratory Library

The Sandia Injury Biomechanics Laboratory (SIBL) Library is a collection of scripts and tools used to preprocess, process, and postprocess data for analysis of injury biomechanics data. SAND2020-3663 M 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.

Hovey, Chad↗

DOE OSTI2020

Quantum Approximate Optimization Algorithm in Python

This is software in Python that simulates the quantum approximate optimization algorithm (QAOA) as described in https://arxiv.org/abs/1411.4028. The software has customization that speeds up simulation and provides interface to the Rapid Optimization Library (ROL) developed at Sandia. SAND2019-8935 M 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.

von Winckel, Gregory↗

DOE OSTI2020

PFLOTRAN

PFLOTRAN is a GNU LGPL licensed code that simulates single phase water and multiphase (air, co2, water) flow, energy transport, geochemical reaction and biological reaction in the earth's subsurface environment. The problem may be discretized on structured and unstructured grids. The code is designed to run in parallel on supercomputers and leverages the open source PETSc library for solvers and data structures and open source HDF5 for binary file I/O. See www.pflotran.org and/or doc-dev.pflotran.org for further information. SAND2020-12161 M 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.

Hammond, Glenn↗

DOE OSTI2020

Galen View

This is software lets one explore the data released as part of the COVID-19 Open Research Dataset Challenge. It downloads and analyzes the natural language text of the data set and then creates a 2D visualization that can be used to explore it. SAND2020-12185 M 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.

Bauer, Travis↗