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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A multiomics mass spectrometry workflow for fast and comprehensive strain optimization (Abstract CRADA 726 )

The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. The ABF is a flexible platform that can adjust to the needs of numerous government, academic and industrial partners, thus enabling them to rapidly develop and optimize the production of a wide range of bioproducts. To enhance this capability, PNNL and Agilent Technologies are collaborating to expand and demonstrate a prototype system that processes hundreds of samples per day by liquid chromatography-mass spectrometry-based untargeted and targeted methods, and artificial intelligence software for multiomics applications, including metabolomics, lipidomics and proteomics.

Bilbao, Aivett (ORCID:0000000329858249)↗
DOE OSTI2024

An empirical DNA-based identification of morphologically similar snappers (Lutjanus campechanus, Lutjanus purpureus) using a versatile bioinformatics workflow for the discovery and analysis of informative single-nucleotide polymorphisms

The commercially important speciesLutjanus campechanus(Northern/Gulf red snapper) andLutjanus purpureus(Southern/Caribbean red snapper) are the protagonists of a decade’s long taxonomic debate over their species delimitation, due in part to partial habitat overlap, extensive morphological similarity, and the lack of resolution when applying canonically reliable DNA barcoding approaches. In this study, we leveraged publicly available RAD-Seq data forL. campechanusandL. purpureusto identify species-informative single‐nucleotide polymorphisms (SNPs) at the genome scale that were successful in distinguishing the Northern and Southern red snappers, while also detecting individuals exhibiting introgression. This 4-step empirical approach demonstrates the value of applying novel bioinformatics pipelines to existing genome-scale data to maximize the distillation of informative subsets. Our results facilitate economically relevant species identification in addition to confirming or challenging species identifications for specimens with data in public databases. These findings and their applications will benefit future sustainability strategies and broader research questions surrounding these overfished and evolutionarily entangled snapper species.

Environmental Sciences & Ecology↗
DOE OSTI2022

Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets

The SARS-CoV2 pandemic has highlighted the importance of efficient and effective methods for identification of therapeutic drugs, and in particular has laid bare the need for methods that allow exploration of the full diversity of synthesizable small molecules. While classical high-throughput screening methods may consider up to millions of molecules, virtual screening methods hold the promise of enabling appraisal of billions of candidate molecules, thus expanding the search space while concurrently reducing costs and speeding discovery. Here, we describe a new screening pipeline, called drugsniffer, that is capable of rapidly exploring drug candidates from a library of billions of molecules, and is designed to support distributed computation on cluster and cloud resources. As an example of performance, our pipeline required ~40,000 total compute hours to screen for potential drugs targeting three SARS-CoV2 proteins among a library of ~3.7 billion candidate molecules.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2010

Polyphony: A Workflow Orchestration Framework for Cloud Computing

Cloud Computing has delivered unprecedented compute capacity to NASA missions at affordable rates. Missions like the Mars Exploration Rovers (MER) and Mars Science Lab (MSL) are enjoying the elasticity that enables them to leverage hundreds, if not thousands, or machines for short durations without making any hardware procurements. In this paper, we describe Polyphony, a resilient, scalable, and modular framework that efficiently leverages a large set of computing resources to perform parallel computations. Polyphony can employ resources on the cloud, excess capacity on local machines, as well as spare resources on the supercomputing center, and it enables these resources to work in concert to accomplish a common goal. Polyphony is resilient to node failures, even if they occur in the middle of a transaction. We will conclude with an evaluation of a production-ready application built on top of Polyphony to perform image-processing operations of images from around the solar system, including Mars, Saturn, and Titan.

Space Exploration,↗
NASA NTRS2011

Software Productivity of Field Experiments Using the Mobile Agents Open Architecture with Workflow Interoperability

We analyzed a series of ten systematically developed surface exploration systems that integrated a variety of hardware and software components. Design, development, and testing data suggest that incremental buildup of an exploration system for long-duration capabilities is facilitated by an open architecture with appropriate-level APIs, specifically designed to facilitate integration of new components. This improves software productivity by reducing changes required for reconfiguring an existing system.

Clancey, William J.↗
NASA NTRS2018

Integration of Information Management System, Workflow and Computational Tools Enabling Multiscale Modeling Within an ICME Paradigm

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to develop a set of Python functions that exchange information between NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset and its Integrated Computational Materials Engineering (ICME), Granta MI® database schema is presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.

multiscale modeling; Micromechanics; Computational↗
NASA NTRS2018

Integrating Cloud-Based Workflows in Continental-Scale Cropland Extent Classification

Accurate information on cropland spatial distribution is required for global-scale assessments and agricultural land use policies. Cloud computing platforms such as Google Earth Engine (GEE) provide unprecedented opportunities for large-scale classifications of Landsat data. We developed a novel method to fuse pixel-based random forest classification of continental-scale Landsat data on GEE and an object-based segmentation approach known as recursive hierarchical segmentation (RHSeg). Using our fusion method, we produced a continental-scale cropland extent map for North America at 30m spatial resolution for the nominal year 2010. The total cropland area for North America was estimated at 275.18 million hectares (Mha). The overall accuracies of the map are>90% across the continent. This map also compares well with the United States Department of Agriculture (USDA) cropland data layer (CDL), Agriculture and Agri-food Canada (AAFC) annual crop inventory (ACI), and the Mexican government agency Servicio de Informacion Agroalimentaria y Pesquera (SIAP)'s agricultural boundaries. Furthermore, our map compared well with sub-country statistics including state-wise and county-wise cropland statistics in regression models resulting in R2 > 0.84. This key contribution paves the way for more detailed products such as crop intensity, crop type, and crop irrigation, and provides a method for creating high-resolution cropland extent maps for other countries where spatial information about croplands are not as prevalent.

Massey, Richard↗
NASA NTRS2018

Overview of the Digitization Workflow Post Image Acquisition of Apollo Lunar and Antarctic Meteorite Samples Using Agisoft Photoscan for the NASA 3D Astromaterials Virtual Samples Collection

The 3D Virtual Astromaterials Samples (3DVAS) collection is a multi-year funded project to create a digital database of sixty Apollo Lunar and Antarctic Meteorite samples following non-destructive documentation conservation protocols. After initial image processing, the photos are evaluated and processed using unique structure-from-motion photogrammetric techniques in a high performance modelling software designed to create a 3D model from 2D images: Agisoft Photoscan Pro. Agisoft Photoscan Pro uses image processing algorithms and techniques originating in computer vision to resolve 3D models for accurate and detailed visualization of a subject. The software provides a stepwise process that is tailored per model based on spatial and specular reflectance properties, for example. The process includes: photo alignment, creation of a dense point cloud, mesh, and finally texture. Photo alignment is dependent on model properties. The 3DVAS process requires a special rotation platform with calibrated photogrammetric targets, specific distance rotation protocols, and a contrasting background for alignment and scale accuracy. As a result of the photographic process, alignment will complete with two mirrored hemispheres that, in a sense, represent the 2D images overlapping to create a 3D model. Each dense point cloud is analyzed with provided statistical measures in a gradual selection process to eliminate outliers. The point cloud is reduced to include only data valuable to the final model. When a precise dense point cloud is achieved, a mesh and texture are applied. Each model is scaled with scale bar accuracies within 100 microns. Each sample has its own intimate process for modelling; there is no standard for the parameters required in the final creation of a high resolution model. By processing multiple samples, a skill is gained in practice to allow a close definition of the original sample and will result in the most detailed version of the sample shell. This process completes one-fifth of the 3DVAS protocol for providing accurate digital documentation. Each model shell is merged with X-ray Computed Tomography data to create a full volumetric sample. All 3DVAS data will be served on NASA's Astromaterials Acquisition and Curation website with an early subset of data available in 2019 and the 3D Virtual Astromaterials Samples Collection launch in 2020.

Thomas, Andi B.↗