Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “software package”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 397 records · Page 22

Hybrid-RL-MPC4CLR (Hybird-Reinforcement-Learning-Model-Predictive-Control-for-Reserve-Policy-Assisted-Critical-Load-Restoration-in-Distribution-Grids)

Hybrid-RL-MPC4CLR was developed as a hybrid controller for active distribution grid critical load restoration, combining deep reinforcement learning (RL) and model predictive control (MPC) aiming at maximizing total restored load following an extreme event. The RL determines a policy for quantifying operating reserve requirements, thereby hedging against uncertainty, while the MPC models grid operations incorporating the RL policy actions (i.e., reserve requirements), renewable (wind and solar) power predictions, and load demand forecasts. The developers formulated the reserve requirement determination problem as a sequential decision-making problem based on the Markov Decision Process (MDP) and design an RL learning environment based on the OpenAI Gym framework and MPC simulation. The RL agent reward and MPC objective function aim to maximize and monotonically increase total restored load and minimize load shedding and renewable power curtailment. The software is developed using various software packages in Python. The MPC's optimal power flow (OPF) model is implemented using the Pyomo package, the RL simulation environment is implemented using the MPC simulation with various scenarios of renewable energy and load demand profiles and power outage beginning times, based on the OpenAI Gym framework. The RL agent training is performed using the RLlib Ray package. The RL algorithm is trained offline using historical forecasts of renewable generation and load demand profiles. Simulation analysis and performance tests are conducted using a modified IEEE 13-bus distribution test feeder containing wind turbine, photovoltaic, microturbine, and battery.

Eseye, Abinet Tesfaye↗

Architector

Architector is a 3D chemical structure generation software package designed to take minimal 2D information about ligands and metal centers and generates chemically sensible 3D conformers and stereochemistry of the organometallic compounds. Architector is capable of high-throughput in-silico construction of s-, p-, d-, and f-block organometallic complexes. Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.

Yang, Ping↗

GSAS-II (GENERAL STRUCTURE AND ALAYSIS SYSTEM-II)

GSAS-II is a comprehensive data analysis and simulation software package for determining atomistic structures from single-crystal and powder diffraction data. X-ray, neutron and electron data may be used. Constant-wavelength, time-of-flight and pink-beam sources may be employed and analyses may combine different types of data. The package is oriented towards materials characterization problems, but protein crystallography, pair-distribution function analysis, small-angle scattering and reflectometry analysis are all included. GSAS-II provides tools for indexing and solving structures from powder diffraction data, in addition to structure, data and results visualization tools

TOBY, BRIANH↗

ASP (Adaptive Splines for Prediction) [SWR-22-66]

This software package provides functionality to fit piecewise cubic splines to model the relationship between a univariate X (independent variable) and a univariate Y (dependent variable). The output is akin to linear regression but has higher "capacity" in that it can learn more complicated relationships despite leveraging only a single predictor. It thus can learn very reasonable relationships between X and Y with minimal effort. The canonical intended use case is for predicting electric demand (Y) from temperature (X). There can be complicated, non-linear relationships between these two variables, but these can be reasonably approximated by the sum of: 1) an "aggregate" relationship between daily average temperature and daily average demand, and 2) intra-day patterns represented as hourly offsets from the daily average load. The spline functionality is used for learning a robust "aggregate" relationship without the inconvenience of manual feature engineering while still ensuring robust results. The model fitting workhorse is R's built-in smooth.spline. This package provides a suite of options for controlling how smooth.spline fits a spline to the data. In particular, it is designed to return a model with a single critical point (i.e., a single location along the domain/support where the first derivative is zero). This is to ensure that predicted changes in electric demand are always positive as temperatures become more extreme. This helps to prevent overfitting, particularly when the input data has few observations or has significant uncertainty from other sources.

Murphy, Sinnott↗

Zero-Order Reaction Kinetics v. 3.4.hip

Zero-RK is a software package that simulates chemically reacting systems using sparse, preconditioned, adaptive matrix methods to achieve orders-of-magnitude reduction in simulation time while maintaining accurate results.

Mcnenly, MatthewJ↗

FABLE v0.1

FABLE is a s light-weight software package for easy generation of quantum circuits that block encode arbitrary matrices.

Camps, Daan↗

Wiretap

SAND2023-12116O Wiretap is an offensive security software package meant for penetration testers and red teams. Unlike a traditional VPN, Wiretap transparently proxies networking traffic without requiring administrator privileges. 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.

Rindels, Raymond↗

FINITE-ELEMENT DISTORED WAVE BORN APPROXIMATION FOR SURFACE SCATTERING

FE-DWBA is a software package that computes the x-ray scattering patterns of objects that locate on a surface or buried next to a surface, such as the nano-circuits and nano-patterns of the mask used in the extreme ultraviolet lithography. It can incorporate the dynamical scattering effect (photons scattered multiple times), which is predominant in surface scattering and yield high-fidelity scattering patterns. The application includes surface imaging using x-rays, and critical dimension determination for semiconductor manufacturing.

HU, MAIOQI↗

Spawn v.0.5.0 Released 12.15.2023 [SWR-SWR-20-10]

Spawn is a software package for performing co-simulations involving NREL's EnergyPlus™ tool and Modelica. This package bundles the following items in one self-contained package. 1. A method for connecting EnergyPlus models to Modelica 2. A Modelica compiler toolchain for compiling and running Modelica models 3. Modelica libraries and content, including the Modelica Buildings Library (MBL) and the Modelica Standard Library. The Spawn installation package is fully self-contained, and there are no external third-party dependencies. Together the capabilities in this package provide a single integrated environment for performing hybrid Modelica and EnergyPlus simulations. The primary entry point is the Spawn command line interface.

Li, Yanfei↗

AIRES-NODE

This software package performs time series forecasting for engineering systems using neural controlled differential equations. Neural controlled differential equations are continuous time analogues to recurrent neural networks. AIRES-NODE is particularly well suited for dynamic systems which are subject to external forcing terms and time-dependent boundary conditions. AIRES-NODE provides an encoder-decoder architecture which allows for variable-length forecasts to be made and is not limited to a fixed time step size when forecasting. Additionally, by utilizing a novel combination of a variational autoencoder and neural controlled differential equations, the AIRES-NODE package is capable of producing probabilistic future forecasts.

Gurecky, William [Oak Ridge National Laboratory (O↗

MAPSTER

MAPSTER Observer is a light-weight software package that can be installed on field deployed computers which automatically manages data and creates metadata packages designed to organize large datasets, making them easy to retrieve and share.

Larson, MatthewD↗

NWChem

NWChem is a computational chemistry software package which includes quantum chemical and molecular dynamics functionality. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources.

Apra, Edoardo [Pacific Northwest National Laborato↗

PUFFIn

The PUFFIn software package is a graphical user interface that allows for photon and electron beam calculations using the PENELOPE computer code. It prepares the required input files and displays the resulting output data. It can be used by anyone interested in the interaction of photon or electron beams with matter

Schwarz, Randy↗

Hardware In the Loop for Demand Flexibility (HIL4DF) v1.0

The software package in question is a collection of simulation models in the Modelica language, representing a variety of mechanical system designs and envelope conditions related to LBL's FLEXLAB facility. The collection of models also features multiple controls sequences that can be simulated with the FLEXLAB model to simulate different demand flexibility scenarios. Additionally, this package will feature datasets from 3 experimental tests, used for calibration, validation and comparison against the Modelica models, this includes weather data that can be used to replicate different scenarios in simulation across the same weather conditions experienced in real experiments. Given FLEXLAB high level of instrumentation and available data, the models are calibrated across multiple measurement points, and thus results from the extension of this model to other climate zones or control sequences, would provide high level of confidence.

Huang, Weiping↗

Generic Multi-Layer Perceptron Inference Accelerator on FPGA (vneuron) v1.0

We have designed and implemented a neural network inference compute engine (vneuron) that can be deployed in the fabric of any FPGA without using special hardware accelerator primitive. The "vneuron" is purely written in verilog, and supports scalable neural network structure with fully connected layers and ReLU activation ( Multi-Layer Perceptron architecture) with 16 bits of precision. We have demonstrated it on an Xilinx Artix 7 FPGA for a 16-input, 8-output MLP with 3 layer, 1600 parameters. It takes 40 DSP48E and 40 BRAM18, and takes 131 clock cycles for computing (1048 ns when clocked at 125MHz). We include PyTorch quantization from a given floating point model, and provide behavioral verification simulation in the disclosed software package.

Du, Qiang↗

Python Robust Phase Estimation (PyRPE)

Robust Phase Estimation (RPE) is a quantum algorithm to determine the relative phases of eigenstates of a unitary operator. This code implements the classical portion of the RPE algorithm, useful both in simulation (e.g., Sandia's pyGSTi or IBM's Qiskit simulators) and on actual quantum hardware (e.g., IBM's Qiskit Quantum Experience). It additionally implements improvements in these dependent software packages, for both required core function of the RPE and improved usability. SAND2020-12547 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.

Russo, Antonio↗

Sandia Contributions to WaterTAP

SAND2023-06591O Through National Alliance for Water Innovation funding, Sandia will be contributing to the Water treatment Technoeconomic Assessment Platform (WaterTAP) project. WaterTAP is an open-source, Python-based software package that supports the technoeconomic assessment of full water treatment trains. WaterTAP includes a modular water treatment model library spanning a broad set of water treatment processes composed of unit, property, and costing models.

Rawlings, EdnaSoraya↗