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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
NASA NTRS2012

The Way Point Planning Tool: Real Time Flight Planning for Airborne Science

Airborne real time observation are a major component of NASA's Earth Science research and satellite ground validation studies. For mission scientist, planning a research aircraft mission within the context of meeting the science objective is a complex task because it requires real time situational awareness of the weather conditions that affect the aircraft track. Multiple aircraft are often involved in the NASA field campaigns the coordination of the aircraft with satellite overpasses, other airplanes and the constantly evolving dynamic weather conditions often determine the success of the campaign. A flight planning tool is needed to provide situational awareness information to the mission scientist and help them plan and modify the flight tracks successfully. Scientists at the University of Alabama Huntsville and the NASA Marshal Space Flight Center developed the Waypoint Planning Tool (WPT), an interactive software tool that enables scientist to develop their own flight plans (also known as waypoints), with point and click mouse capabilities on a digital map filled with time raster and vector data. The development of this Waypoint Planning Tool demonstrates the significance of mission support in responding to the challenges presented during NASA field campaigns. Analyses during and after each campaign helped identify both issues and new requirements, initiating the next wave of development. Currently the Waypoint Planning Tool has gone through three rounds of development and analysis processes. The development of this waypoint tool is directly affected by the technology advances on GIS/Mapping technologies. From the standalone Google Earth application and simple KML functionalities to the Google Earth Plugin and Java Web Start/Applet on web platform, as well as to the rising open source GIS tools with new JavaScript frameworks, the Waypoint planning Tool has entered its third phase of technology advancement. The newly innovated, cross-platform, modular designed JavaScript-controled Waypoint tool is planned to be integrated with the NASA Airborne Science Mission Tool Suite. Adapting new technologies for the Waypoint Planning Tool ensures its success in helping scientist reach their mission objectives. This presentation will discuss the development process of the Waypoint Planning Tool in responding to field campaign challenges, identifying new information technologies, and describing the capabilities and features of the Waypoint Planning Tool with the real time aspect, interactive nature, and the resultant benefits to the airborne science community.

He, Yubin↗
NASA NTRSDate not supplied

VEDA: Visualization, Exploration, & Data Analysis

NASA's Visualization, Exploration, and Data Analysis (VEDA) project is an open-source science cyberinfrastructure for data processing, visualization, exploration, and geographic information systems (GIS) capabilities. Developed collaboratively and mostly reusing existing open-source components, VEDA consolidates GIS delivery mechanisms, processing platforms, analysis services, and visualization tools and provides an ecosystem of open tools for addressing Earth science research and application needs through the public-facing VEDA Dashboard. In this presentation, Dr. Freitag will provide an overview of VEDA and how it can potentially serve the AOS community.

Brian Freitag↗
DOE OSTI2022

SolarPlus Optimizer: Integrated Control of Solar, Batteries, and Flexible Loads for Small Commercial Buildings

Building-level microgrids may be a key strategy to unlock the combined potential of flexible loads, renewable generation, and energy storage. However, few software options exist for integrated control of building loads and other distributed energy resources at this scale. The commercial software solutions on the market can force customers to adopt one particular ecosystem of products, thus limiting consumer choice. The SolarPlus Optimizer (SPO) is an open-source building-level microgrid control platform that uses Model Predictive Control to optimize both building loads and behind-the-meter energy storage to reduce energy bills and increase demand flexibility. This paper evaluates the capabilities of SPO in a small commercial building in Northern California under multiple electricity tariffs and demand response scenarios. Comparing SPO operation with an emulated battery and baseline operation employing a commercial optimization service, SPO reduced electricity bills by an estimated 7.3% in summer, 3.2% in spring, and 3.7% in winter. In a “load shape” scenario meant to counter the “duck curve”, SPO achieved 71% fewer violations from the load signal than the baseline control method. During a three hour long load shed event, SPO reduced cooling and refrigeration load by 38%. This research shows significant potential to provide load flexibility for building-level microgrids for this type of control systems. Finally, the paper discusses the future direction of research on open-source control systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

An artificial intelligence accelerated virtual screening platform for drug discovery

Abstract Structure-based virtual screening is a key tool in early drug discovery, with growing interest in the screening of multi-billion chemical compound libraries. However, the success of virtual screening crucially depends on the accuracy of the binding pose and binding affinity predicted by computational docking. Here we develop a highly accurate structure-based virtual screen method, RosettaVS, for predicting docking poses and binding affinities. Our approach outperforms other state-of-the-art methods on a wide range of benchmarks, partially due to our ability to model receptor flexibility. We incorporate this into a new open-source artificial intelligence accelerated virtual screening platform for drug discovery. Using this platform, we screen multi-billion compound libraries against two unrelated targets, a ubiquitin ligase target KLHDC2 and the human voltage-gated sodium channel Na V 1.7. For both targets, we discover hit compounds, including seven hits (14% hit rate) to KLHDC2 and four hits (44% hit rate) to Na V 1.7, all with single digit micromolar binding affinities. Screening in both cases is completed in less than seven days. Finally, a high resolution X-ray crystallographic structure validates the predicted docking pose for the KLHDC2 ligand complex, demonstrating the effectiveness of our method in lead discovery.

Science & Technology - Other Topics↗
DOE OSTI2024

Decomprolute is a benchmarking platform designed for multiomics-based tumor deconvolution

Tumor deconvolution is a reliable way to disentangle the diverse cell types that comprise solid tumors. To date, however, both the algorithms developed to deconvolve tumor samples, and the gold standard datasets used to assess the algorithms are geared toward the analysis of gene expression (e.g., RNA-seq) rather than protein levels in tumor cells. While gene expression is less expensive to measure, protein levels provide a more accurate view of immune markers. To facilitate the development as well as improve the reproducibility and reusability of multi-omic deconvolution algorithms, we introduce Decomprolute, a Common Workflow Language framework that leverages containerization to compare tumor deconvolution algorithms across multiomic data sets. Decomprolute incorporates the large-scale multiomic data sets produced by the Clinical Proteomic Tumor Analysis Consortium (CPTAC), which include matched mRNA expression and proteomic data from thousands of tumors across multiple cancer types to build a fully open-source, containerized proteogenomic tumor deconvolution benchmarking platform. The platform consists of modular architecture and it comes with well-defined input and output formats at each module. As a result, it is robust and extendable easily with additional algorithms or analyses. The platform is available for access and use at http://pnnl-compbio.github.io/decomprolute.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Caldera Infrastructure Charge Module (ICM)

Caldera ICM is part of Caldera software platform, a suite of collective, open-source tools that was developed to improve the state of the art in modeling the impacts of Electric Vehicle (EV) charging on the grid. The foundation of Caldera ICM is it’s first-of-its-kind library of high-fidelity charging models for a wide variety of vehicles, validated by test data under a range of operating conditions. The charging models are used to accurately model the EV charging on an electric vehicle supply equipment (EVSE) – also known as a charger. ICM uses as inputs, the EV characteristics such as battery size, battery chemistry (i.e. NMC, LTO), watt hour per mile, inverter efficiency and max charge rate; as well as EVSE characteristics such as max current and supply equipment type (i.e. L2 vs XFC). Using these inputs Caldera ICM creates an uncontrolled charging profile curve for each compatible EV-EVSE pair. These charge profiles can be used stand alone to estimate charge duration given start State Of Charge (SOC) and end SOC or charge energy size given start SOC and charge duration. In Caldera Grid, another tool in the Caldera software platform, these charge profiles are used to represent EV charging as a load on the grid using charge event data such as EV type, SE type, start SOC, final SOC, park start time and park end time. ICM currently supports energy shifting Smart Charge Management (SCM) strategies such as "Time Of Use (TOU) immediate”, “TOU random” and “random start” by delaying the charge to start at a preferable time with respect to the strategy and, one voltage support SCM strategy named autonomous voltage control strategy by providing reactive power back to the electric grid.

Sundarrajan, ManojKumar Cebol↗
DOE OSTI2014

PR-PR: Cross-Platform Laboratory Automation System

To enable protocol standardization, sharing, and efficient implementation across laboratory automation platforms, we have further developed the PR-PR open-source high-level biology-friendly robot programming language as a cross-platform laboratory automation system. Beyond liquid-handling robotics, PR-PR now supports microfluidic and microscopy platforms, as well as protocol translation into human languages, such as English. While the same set of basic PR-PR commands and features are available for each supported platform, the underlying optimization and translation modules vary from platform to platform. Here, we describe these further developments to PR-PR, and demonstrate the experimental implementation and validation of PR-PR protocols for combinatorial modified Golden Gate DNA assembly across liquid-handling robotic, microfluidic, and manual platforms. To further test PR-PR cross-platform performance, we then implement and assess PR-PR protocols for Kunkel DNA mutagenesis and hierarchical Gibson DNA assembly for microfluidic and manual platforms.

Linshiz, G↗
DOE OSTI2022

Caldera_Grid

Caldera Grid is part of Caldera software platform, a suite of collective, open-source tools that was developed to improve the state of the art in modeling the impacts of Electric Vehicle (EV) charging on the grid. Caldera Grid is a co-simulation framework implemented using Hierarchical Engine for Large scale Infrastructure Co-Simulation (HELICS). The framework facilitates the co-simulation of EV charging and Smart Charge Management (SCM) strategies in Caldera Infrastructure Charge Model (ICM) with distribution level grid models in OpenDSS. Vehicle energy needs and charge session requirements generated using Caldera Charge Decision Module (CDM) are fed in as input to Caldera Grid. The EV charging models in Caldera ICM simulates both the uncontrolled charging loads as well as loads modified by the SCM strategies to develop distributed load profiles for each grid node hosting an Electric Vehicle Supply Equipment (EVSE) – also known as chargers. These loads were simulated in OpenDSS alongside existing distribution feeder loads. Each of these models are co-simulated in a HELICS federate. The HELICS co-simulation framework facilitates communication and synchronization between the federates. By co-simulating EV loads and distribution feeder loads, Caldera Grid can assess the potential grid impacts of EV charging on distribution feeders under various grid conditions. A control strategy federate is implemented with an interface where control strategies based on feedback from EV charging status and grid conditions can be developed and implemented. The platform can also support multiple control strategies in a single co-simulation.

Sundarrajan, ManojKumar Cebol↗
DOE OSTI2021

ORT: a workflow linking genome-scale metabolic models with reactive transport codes

Abstract Motivation Nutrient and contaminant behavior in the subsurface are governed by multiple coupled hydrobiogeochemical processes which occur across different temporal and spatial scales. Accurate description of macroscopic system behavior requires accounting for the effects of microscopic and especially microbial processes. Microbial processes mediate precipitation and dissolution and change aqueous geochemistry, all of which impacts macroscopic system behavior. As ‘omics data describing microbial processes is increasingly affordable and available, novel methods for using this data quickly and effectively for improved ecosystem models are needed. Results We propose a workflow (‘Omics to Reactive Transport—ORT) for utilizing metagenomic and environmental data to describe the effect of microbiological processes in macroscopic reactive transport models. This workflow utilizes and couples two open-source software packages: KBase (a software platform for systems biology) and PFLOTRAN (a reactive transport modeling code). We describe the architecture of ORT and demonstrate an implementation using metagenomic and geochemical data from a river system. Our demonstration uses microbiological drivers of nitrification and denitrification to predict nitrogen cycling patterns which agree with those provided with generalized stoichiometries. While our example uses data from a single measurement, our workflow can be applied to spatiotemporal metagenomic datasets to allow for iterative coupling between KBase and PFLOTRAN. Availability and implementation Interactive models available at https://pflotranmodeling.paf.subsurfaceinsights.com/pflotran-simple-model/. Microbiological data available at NCBI via BioProject ID PRJNA576070. ORT Python code available at https://github.com/subsurfaceinsights/ort-kbase-to-pflotran. KBase narrative available at https://narrative.kbase.us/narrative/71260 or static narrative (no login required) at https://kbase.us/n/71260/258. Supplementary information Supplementary data are available at Bioinformatics online.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

MILK : a Python scripting interface to MAUD for automation of Rietveld analysis

Modern diffraction experiments ( e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies ( i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction ( MAUD ), the MAUD Interface Language Kit ( MILK ) is developed along with an updated text batch interface for MAUD . The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD . Using MILK , model selection ( e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD . Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye–Scherrer , a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Model-based interface design for smart field-device integration

Operational complexity is ever-increasing for electric utilities that face challenges including integration of DERs, customer expectation of energy choices, the proliferation of non-utility-owned resources, new business models with energy service providers, and new technology with IT/OT convergence. To maintain and improve the quality of operations, planning, and decision-making in general, utilities need to manage and navigate the complexity. Managing complexity requires a modular, scalable, and flexible solution. Connecting large amounts of DERs and introducing new services requires increased grid control and evolving applications. In this paper, we show an approach utilizing model-based standardized interfaces that simplifies integration and deployment of new algorithms and smart field devices for interoperability across legacy or new systems. A modular design is presented for a reference implementation of widely used DNP3 and IEEE 2030.5 interfaces within an open-source, standards-based data integration platform for integration of smart field devices with independently developed, best-of-breed applications.

Model-driven development, system integration, smar↗
DOE OSTI2018

WindView [SWR-18-51]

The National Laboratory of the Rockies (NLR) FKA: National Renewable Energy Laboratory (NREL) and Argonne National Laboratory (ANL) developed an open-source situational awareness and decision support platform called WindView that provides grid operators with knowledge on the state and performance of wind power on their system. University Texas Dallas is contracted by NLR to create a wind power forecaster that will be integrated into WindView. WindView does not provide any data, it is a visualization platform which requires the user to provide their own data. During the three year project, there has been collaboration with industry through technical review committees and specifically the Western Area Power Authority's, WAPA's Energy Training Power Center, EPTC to develop a production-level version of WindView which will work for industry.

Gamble, Christine↗
DOE OSTI2026

ENPAX (ENergy Platform — Automated eXpenditures) [SWR-26-053]

ENPAX (ENergy Platform — Automated eXpenditures) is an open-source Python library that provides modular, bottom-up capital and operating expenditure (CAPEX/OPEX) models for energy technologies. Cost estimates are derived using system design characteristics, site specific details, power system considerations and infrastructure assumptions.

Mulas Hernando, Daniel [National Laboratory of the↗
DOE OSTI2021

Omics-to-Reactive-Transport (ORT): A workflow linking genome-scale metabolic models with reactive transport codes

Motivation: Nutrient and contaminant behavior in the subsurface are governed by multiple coupled hydrobiogeochemical processes which occur across different temporal and spatial scales. Accurate description of macroscopic system behavior requires accounting for the effects of microscopic and especially microbial processes. Microbial processes mediate precipitation and dissolution and change aqueous geochemistry, all of which impacts macroscopic system behavior. As `omics data describing microbial processes is increasingly affordable and available, novel methods for using this data quickly and effectively for improved ecosystem models are needed. Results: We propose a workflow (`Omics to Reactive Transport – ORT) for utilizing metagenomic and environmental data to describe the effect of microbiological processes in macroscopic reactive transport models. This workflow utilizes and couples two open-source software packages: KBase (a software platform for systems biology) and PFLOTRAN (a reactive transport modeling code). We describe the architecture of ORT and demonstrate an implementation using metagenomic and geochemical data from a river system. Our demonstration uses microbiological drivers of nitrification and denitrification to predict nitrogen cycling patterns which agree with those provided with generalized stoichiometries. While our example uses data from a single measurement, our workflow can be applied to spatiotemporal metagenomic datasets to allow for iterative coupling between KBASE and PFLOTRAN. Live, interactive models, which incorporate the results from this narrative into a PFLOTRAN simulation, are available (without login) at https://pflotranmodeling.paf.subsurfaceinsights.com/pflotran-simple-model/.

Rubinstein, Rebecca L↗
NASA NTRS2023

PY4 Four-CubeSat Swarm of PyCubed-Based Spacecraft

PY4 is a low-cost, rapid-turn-around, four-satellite technology demonstration based on the open-source PyCubed avionics framework. PyCubed is an open-source, radiation-tested CubeSat avionics platform that integrates power, computing, communication, and attitude determination and control functionality into a single low-cost module programmable entirely in the programming language Python.

Jan Michael Stupl↗
DOE OSTI2016

Putting Data to Work: Using Building Energy Performance Data to Expand the Market for Energy Efficiency in Buildings

An increasing number of state and local jurisdictions are implementing building performance reporting laws, which generate large quantities of useful data on the characteristics and resource consumption of the building stock. Yet, to realize the potential of these policies, the data must not only be disclosed, but put to work to drive energy savings. Under a three-year pilot, Washington DC (DC), New York City (NYC) and their partners are pioneering the use of data from building performance reporting in energy efficiency programs. To minimize the administrative burden of managing, combining, and sharing these data sets, the cities are utilizing the U.S. Department of Energy’s (DOE) open-source Standard Energy Efficiency Data (SEED) Platform. The Putting Data to Work project team is working with efficiency program administrators to develop and implement new and innovative ways in which the data collected through benchmarking, energy audits, and related policies can be used to improve energy policies and planning, unlock data directly for market use, scale-up the market for energy efficiency services, drive competition, better target utility incentive programs, and inform measurement and verification. This paper details achievements and key findings in DC and NYC to date, including the importance of high compliance, data quality, and data cleansing in using the information collected; methods that the cities are using to apply data to drive maximum energy efficiency; and the importance of inter- and intra-agency collaboration in program success. We also outline the path forward and detail expected outcomes and scalability of project activities.

Beddingfield, Erin↗
DOE OSTI2019

R and DE Robotic Sensor Intern Team: Remote 3D Mapping Overview

The Department of Energy (DOE) nuclear complex includes many hazardous and challenging environments that must be inspected remotely and routinely for structural integrity evaluation and long-term planning purposes. The H-Canyon Air Exhaust (HCAEX) Tunnel biannual inspection is an example of such an environment. Presently inspections are performed by teleoperated robotic crawlers provide low resolution video feedback to the structural engineers. Advanced sensors such as Lidar and panospheric hi-res cameras have the potential to provide additional valuable data in future inspections. UT-Austin Lidar work in support of an H-Canyon deployment began with the DOE EM sponsored H-Canyon Integrated Research Project. The R and DE Robotic Sensor intern team includes two of the UT-Austin Masters students working on Lidar development to facilitate the pulling of university developed solutions to the field. The goal of this project is to develop a suite of sensors that could be used to gather advanced data in future HCAEX tunnel inspections. Of particular interest is the ability to map the tunnel walls at an accuracy that will allow for the comparison of two scans performed at different time periods to estimate the concrete erosion rate. Additionally, the development of the 3D point cloud in the GPS denied environment is the first step in being able to collect and overlay other 3D data such as radiation mapping. Project specific goals include: - Design and develop 3D mapping sensor suite. Merge Lidar point cloud with high res camera images Incorporate Inertial Measurement Unit (IMU) to assist with positioning. - Develop sensor software and user GUI Sensor data collection and integration software User GUI for reach back system. - Test solution on crawler in tunnel test bed Use crawler base similar to H-Canyon planned crawler Design and build test bed simulating tunnel conditions. To facilitate rapid sensor integration, software coding and user GUI development, the Robot Operating System (ROS) was employed as the development platform. ROS is a set of open source software libraries and tools that assist with the building of robot applications. ROS includes drivers for many sensors, state-of-the-art algorithms, and powerful developer tools. Sensors selected for the summer intern solution included assessment as to whether they possessed ROS drivers and associated sample code. Additionally, the ROS 3D Robot Visualizer (rviz) tool has been employed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Sirepo for Synchrotron Radiation Workshop

Sirepo is an open source framework for cloud computing. The graphical user interface (GUI) for Sirepo, also known as the client, executes in any HTML5 compliant web browser on any computing platform, including tablets. The client is built in JavaScript, making use of the following open source libraries: Bootstrap, which is fundamental for cross-platform web applications; AngularJS, which provides a model–view–controller (MVC) architecture and GUI components; and D3.js, which provides interactive plots and data-driven transformations. The Sirepo server is built on the following Python technologies: Flask, which is a lightweight framework for web development; Jinja, which is a secure and widely used templating language; and Werkzeug, a utility library that is compliant with the WSGI standard. We use Nginx as the HTTP server and proxy, which provides a scalable event-driven architecture. The physics codes supported by Sirepo execute inside a Docker container. One of the codes supported by Sirepo is the Synchrotron Radiation Workshop (SRW). SRW computes synchrotron radiation from relativistic electrons in arbitrary magnetic fields and propagates the radiation wavefronts through optical beamlines. SRW is open source and is primarily supported by Dr. Oleg Chubar of NSLS-II at Brookhaven National Laboratory.

Nagler, Robert↗