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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 919 records · Page 51

All sources NASA NTRS DOE OSTI

DOE OSTI2022

PyChargeModel (Oriented Programming Based Electric Vehicle and Electric Vehicle Supply Equipment Charging Model in Python) [SWR-22-39]

The PyChargeModel creates two classes called "ElectricVehicles" and "evse_class", which can be used to create multiple instances of electric vehicles (EVs) and electric vehicle supply equipment (EVSE or charging ports) and simulate charging behavior. These objects can be instantiated with several properties such as battery chemistries, battery pack sizes, cell sizes, charging port power, dc or ac chargers etc. The objects can communicate with each other by calling different methods built within the classes. Through these methods, each EV object can be assigned to an EVSE, charged either using a default protocol or using setpoint values communicated from a site controller via the EVSE object.

Mishra, Partha↗

DOE OSTI2022

General Entity Model

General Entity Model (GEM) is an extensible, upper-level ontology. An ontology is simply a collection of concepts and their relationships and properties and can be used as a schema or data model to describe some domain. As an upper-level ontology, GEM is intended to be used as a foundation for building domain-specific ontologies (such as energy, manufacturing, etc).

Browning, JerenM↗

DOE OSTI2022

HIVE™ [SWR-19-36]

The HIVE™ platform is a mobility services simulation platform developed to provide insight on the energy, infrastructure, service, and economic outcomes of various mobility as a service (MaaS) options. The HIVE platform takes a set of spatiotemporal travel origin-destination pairs and simulates the operation of a predefined mobility service fleet, incorporating request pooling, and various operational and charging behaviors. Hive specializes at modeling fleets of automated electric vehicles (AEVs) and can be used to site and size direct current fast charge (DCFC) stations and measure grid impacts of large-scale AEV fleets serving real-world MaaS trip demand (similar to taxis, Uber, Lyft, etc.). Potential outcomes from a Hive simulation include level of service, total vehicle miles traveled (VMT), deadheading (zero passenger) miles, simultaneous and total energy loads, average occupancy, and more. Hive is developed to generalize to new regions and can be customized to handle many scenarios and operating conditions.

Rames, Clement↗

DOE OSTI2022

NOODLES [SWR-22-78]

NOODLES is a protocol specification for collaborative visualization. It allows software tools of any type to participate in an analysis or visualization session. Use cases include, but are not limited to, distributed analysis, workflow interoperability, computational steering, etc.

Brunhart-Lupo, Nicholas↗

DOE OSTI2022

GIST (Grid Impedance Scan Tool) [SWR-22-73]

NREL has developed GIST (Grid Impedance Scan Tool) to scan the impedance response of inverter-based resources such as land-based and offshore wind power plants, solar power plants, etc., from their electromagnetic transient simulation models to evaluate their impact on grid stability. GIST can scan impedance response of inverter-based resources from vendor-supplied black-box simulation models without requiring internal proprietary details, enabling detailed stability analysis of power systems with high levels of inverter-based generation.

Shah, Shahil↗

DOE OSTI2023

CEGANN: CRYSTAL EDGE GRAPH ATTENTION NEURAL NETWORK

SF-22-156 Machine learning (ML) models and applications in materials design and discovery typically involve the use of feature representations or descriptors followed by a learning algorithm that maps them to user desired properties of interest. Most popular mathematical formulation-based descriptors are not unique across atomic environments and suffer from transferability issues across different application domains and/or material classes. The CEGANN code provides a unified interface to facilitate material characterization across materials across multiple scales (from atomic to mesoscale) and diverse classes of materials ranging from metals oxides, non-metals, and even hierarchical materials such as zeolites and semi ordered materials such as mesophases. CEGANN implements a Graph Attention Network (GAT) type convolution architecture. The details of network architecture can be found in the paper https://doi.org/10.48550/arXiv.2207.10168. The software comes with pretrained examples and dataset for the classification of the following representative systems: (1) Structure-level representation such as space group (2) Structural dimensionality (e.g., bulk, 2D, clusters etc.) (3) Grain boundary identification (4) Nucleation and growth of a zeolite polymorph (5) Characterization of binary mesophases and their phase transitions (6) Growth of ice. The code is written in python programming language.

CHAN, HENRYT↗

DOE OSTI2023

optimas v0.1

optimas is a Python library that can coordinate a large number of numerical simulations on high-performance computing resources, with the aim of optimizing a given simulation result. More specifically, this library is currently used for design optimization of laser-plasma particle accelerators. In this context, the performance of particle accelerator designs are often evaluated with large-scale simulation codes, and many separate simulations need to be run - with different design parameters - in order to find the most performant design. optimas facilitates this process by providing a convenient interface to advanced optimizers (e.g. Bayesian optimization), and by coordinating the execution of the different simulations on HPC resources. (This is done by leveraging the library libensemble.) Compared to other open-source optimization libraries (e.g. Ax), optimas is more tailored towards execution on DOE HPC resources (e.g. Perlmutter, Summit, etc.) and is specialized for the type of simulation codes and workflows that are used in the community of laser-plasma acceleration.

Lehe, Remi↗

DOE OSTI2023

Data Science Infrastructure SOFTWARE

LANL science workflows generate complex data sets and ensembles of data requiring significant compute and storage resources. The Data Science Infrastructure (DSI) project focuses on data-driven approaches to make data more readily available to LANL projects. DSI workflows leverage metadata stored in data-agnostic databases, supported by an abstraction layer API to simplify searching and accessing data across simulation runs, experimental runs, filesystems and environments. The abstraction layer API allows the user to query a range of data types: raw output, processed data, configuration data, machine learning models, performance data, etc. In addition to the abstraction backend API, the DSI project is developing client-driven query APIs and UIs to support specific user workflows.

Turton, Terece↗

DOE OSTI2023

Autonomous Controls For Reactor Technologies (acorn)

ACORN (Autonomous Controls fOr Reactor techNologies) software utilizes data, obtained from an experimental test bed and/or simulation, to implement a control command for microreactor operation. Command examples include a change to the temperature profile, power profiles, heat fluxes, etc. The control command recommended by the code is derived based on future predicted states of a microreactor, allowing proactive optimal and autonomous microreactor operation. The software is written in Python languages. The current software supports autonomous temperature controls of heat pipe simulator and autonomous heat flux controls of a 37 heat pipe non-nuclear testbed simulator (or its surrogate models).

Lin, Linyu [Idaho National Laboratory (INL), Idaho↗

DOE OSTI2022

Haxall-based (Axon) fault auto-correction package for building HVAC system (Haxall-based Fault Correction) v1.0

Haxall-based Fault Correction is a set of fault auto-correction algorithms implemented using the Axon language. These algorithms can automatically fix equipment and control problems as they arise and improve the operation of building Heating, Ventilation, and Air Conditioning (HVAC) systems. The coded auto-correction algorithms include mitigation of rogue zones, ASHRAE Guideline 36 static pressure and supply air reset, resolution of control hunting due to improper settings in a proportional-integral-derivative controller, correction of biased temperature sensors, etc. FDD tools with enhanced auto-correction capability can resolve control problems as they are detected, increasing energy savings and emissions reductions while freeing up operational staff expertise for the hardest facility problems.

Vitti, Raphael↗

DOE OSTI2023

Quantitative Universal Option Prioritizer (QUOP) v1.0.0

Quantitative Universal Option Prioritizer (QUOP) is a three-layer analytical hierarchy process (AHP) based multi-criteria decision-making option evaluation and prioritization tool. Decision-making often entails evaluation of options. Such competing options can either be mutual substitutes or cumulative means to achieve an objective. The options themselves can be methods, tools, technologies, processes, etc. Stakeholders involved in achieving the objective may view each option characteristic differently, depending on their needs and preferences. The QUOP tool enables a streamlined quantitative collaborative process of weighing the opinion of each stakeholder in evaluating the options. The evaluation may also be performed under different scenarios, for instance, various option potential estimates, prices, or end-user demand projections. The QUOP tool can find application in both public and private sectors, as well as on an individual level. The major advantage of using the QUOP decision-making tool is in documenting the quantified stakeholder opinion, therefore the background to each decision made, while simultaneously maintaining high transparency and stakeholder involvement. The tool is particularly suitable for decisions involving a high number of options and option characteristics, that is, aspects of each option that matter to the stakeholders

Grahovac, Milica↗

DOE OSTI2022

Surfactant

Surfactant is a tool to generate an SBOM for the files in a directory/system based on information contained in various file format, including but not limited to PE, ELF, Mach-O, Java classes, .NET assemblies, and various source code files/scripts. Gathered information can be output in a variety of different SBOM formats, and functionality is provided to manipulate and analyze SBOMs (merging, manual additions, querying info, etc). Users are able to add new features via a plugin system.

Lloyd, LeviJ↗

DOE OSTI2023

pnnl/FermionicSwap

The software allows rapid development of simulations using the fermionic swap method on Microsoft's Quantum Development Kit (QDK) framework. Gate, circuit, etc. costs can be estimated using Microsoft's resource estimator

Hagge, Tobias↗

DOE OSTI2022

Operational Forecasting of Induced Seismicity

Operational Forecasting of Induced Seismicity (ORION) is an open-source toolkit developed as part of the US Department of Energy SMART and NRAP programs. ORION is designed to help both expert and non-expert users understand the seismic hazard at a site. This tool analyzes how the seismic hazard evolves during injection of fluid, and can be used to identify potential mitigation strategies for observed or forecasted seismic activity. ORION is built using Python, and has an optional GUI where users can easily configure model parameters, evaluate temporal and spatial forecasts, and inspect key data (seismicity, fluid injection, pressure models, etc.).

Kroll, Kayla↗

DOE OSTI2023

PFLOTRAN 5

PFLOTRAN leverages massively parallel, high performance computing to simulate large-scale non-isothermal multiphase flow, multicomponent reactive transport and electrical resistivity tomography (ERT) problems in the subsurface environment. Researchers have employed PFLOTRAN to simulate these Earth system processes on leadership class supercomputers for over two decades. The code is designed to predict the future estate of environmental systems and better inform stakeholders in the regulatory decision making process (e.g., fate of contaminants, long-term stewardship for nuclear waste, impact of climate change, etc.). A diverse team of scientists oversees PFLOTRAN development and maintenance under an open-source licensing agreement and manages contributions from an international community of researchers.

Hammond, Glenn↗

DOE OSTI2023

RouteE-Powertrain [SWR-19-19]

RouteE-Powertrain is a tool for predicting energy usage over a set of road links. RouteE-Powertrain is a Python package that allows users to work with a set of pre-trained mesoscopic vehicle energy prediction models for a varity of vehicle types. Additionally, users can train their own models if "ground truth" energy consumption and driving data are available. RouteE-Powertrain models predict vehicle energy consumption over links in a road network, so the features considered for prediction often include traffic speeds, road grade, turns, etc. The typical user will utilize RouteE's catalog of pre-trained models. Currently, the catalog consists of light-duty vehicle models, including conventional gasoline, diesel, hybrid electric (HEV), and battery electric (BEV). These models can be applied to link-level driving data (in the form of pandas dataframes) to output energy consumption predictions. Users that wish to train new RouteE models can do so. The model training function of RouteE enables users to use their own drive-cycle data, powertrain modeling system, and road network data to train custom models. https://pypi.org/project/nrel.routee.powertrain/ pip install nrel.routee.powertrain

Holden, Jacob↗

DOE OSTI2024

Phase-Field Method Tutorial Codes

This repository contains example implementations of phase-field codes primarily for educational purposes. These codes demonstrate how a simple phase-field models can be implemented as an introduction for researchers new to the area (students, new staff, collaborators from different domains, etc.). The computer code includes highly documented Jupyter notebooks that implement phase-field models and analyze the results.

DeWitt, Stephen [Oak Ridge National Laboratory (@O↗

DOE OSTI2024

SurFE-XD (Surface curvature-driven Finite Elements model for Diffusion under eXtreme conditions)

SurFE-XD is a mesoscale finite element framework to model surface diffusion under mutliphysics environments. The code uses legacy C++ library dolphin wrapped with python in a FEniCS driven unified form language and just-in-time (JIT) compilation setting. The purpose of the release is to attract wide-ranging usage of the code along with publication supplementation to support reproducibility of scientific data. SurFE-XD has been originally conceived under the LDRD-DR funding for “High-Gradient (C-BAND) Breakdown tolerant accelerator materials project. Currently SrFE-XD support electrostatics and Thermo-elasticity driven surface diffusion kernels. Releasing the code will also enable to include contributions from other physical regimes e.g., plasticity and electrodynamics etc as well portability to GPU-based platforms.

Bagchi, Soumendu↗