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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Towards a study protocol: A data-driven workflow to identify error sources in direct ink write mechatronics

Abstract Using Direct Ink Write (DIW) technology in a rapid and large-scale production requires reliable quality control for printed parts. Data streams generated during printing, such as print mechatronics, are massive and diverse which impedes extracting insights. In our study protocol approach, we developed a data-driven workflow to understand the behavior of sensor-measured X- and Y- axes positional errors with process parameters, such as print velocity and velocity control. We uncovered patterns showing that instantaneous changes in the velocity, when the build platform accelerates and decelerates, largely influence the positional errors, especially in the X- axis due to the hardware architecture. Since DIW systems share similar mechatronic inputs and outputs, our study protocol approach is broadly applicable and scalable across multiple systems. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2022

WATTS: Workflow and template toolkit for simulation

Modeling and simulation in many science and engineering domains often involves the execution and/or iteration of a sequence of applications, with data transfer between applications typically required. These applications often do not have a formal application programming interface (API). Instead, executing an application requires first writing a text-based input file, the format of which is typically defined in a user’s manual. While text-based input files are suitable for simple one-off calculations, they can become cumbersome if a user wants to execute the applications multiple times and systematically vary input parameters, especially when a complex workflow is involved. In this case, they must resort to either manually making changes in the input file or developing their own script that modifies the input file and executes the application. Depending on the format of the input file, writing such a script can be a non-trivial and error-prone task.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Extending Dynamic Range for Untargeted Ion Mobility-MS Workflows

Preprocessing and identification algorithms can boost the quality and reproducibility of results in untargeted ion mobility (IM)-MS workflows. For this CRADA we developed two methods for pre-processing to improve the quality of Agilent metabolomics data: i) a new saturation repair preprocessing method and ii) multi-dimensional smoothing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Challenges in Eye Tracking for Dynamic User-Driven Workflows

This three-year Laboratory Directed Research and Development (LDRD) project aimed at developing a developed prototype data collection system and analysis techniques to enable the measurement and analysis of user-driven dynamic workflows. Over 3 years, our team developed software, algorithms, and analysis technique to explore the feasibility of capturing and automatically associating eye tracking data with geospatial content, in a user-directed, dynamic visual search task. Although this was a small LDRD, we demonstrated the feasibility of automatically capturing, associating, and expressing gaze events in terms of geospatial image coordinates, even as the human "analyst" is given complete freedom to manipulate the stimulus image during a visual search task. This report describes the problem under examination, our approach, the techniques and software we developed, key achievements, ideas that did not work as we had hoped, and unsolved problems we hope to tackle in future projects.

42 ENGINEERING↗
DOE OSTI2019

An error estimation driven adaptive tetrahedral workflow for full engineering models

Tetrahedral finite element workflows have the potential to drastically reduce time to solution for computational solid mechanics simulations when compared to traditional hexahedral finite element analogues. A recently developed, higher-order composite tetrahedral element has shown promise in the space of incompressible computational plasticity. Mesh adaptivity has the potential to increase solution accuracy and increase solution robustness. In this work, we demonstrate an initial strategy to perform conformal mesh adaptivity for this higher-order composite tetrahedral element using well-established mesh modification operations for linear tetrahedra. We propose potential extensions to improve this initial strategy in terms of robustness and accuracy.

42 ENGINEERING↗
DOE OSTI2021

Data Science and Computation for Rapid and Dynamic Compression Experiment Workflows at Experimental Facilities, September 8-11, 2020. Workshop Report

The application of high pressure to materials has enabled discoveries in scientific fields such as planetary science, materials science, and materials synthesis. Recent advances in X-ray user light sources and other facilities, co-location and integration of user facilities with high-pressure drivers, availability of high-performance computing (HPC) platforms, and the development of new data science techniques have created opportunities for, and challenges in, advancing data analytics for rapid and dynamic compression experiments. To address these challenges, harness the emerging technology now available, and expedite scientific discovery, Los Alamos National Laboratory (LANL) hosted a virtual workshop entitled “Data Science and Computation for Rapid and Dynamic Compression Workflows at Experimental Facilities” from September 8 to 11, 2020. The workshop included 95 registered scientists and analytics experts from 15 universities, 9 United States (US) national laboratories, 5 US and European X-ray light sources, neutron sources such as the Los Alamos Neutron Science Center (LANSCE), other big science facilities such as the National Ignition Facility (NIF), and an industry representative. The workshop included 31 invited talks and 4 lightning talks by students and postdocs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Big PanDa Workflow Management on Titan for High Energy and Nuclear Physics and for Future Extreme Scale Scientific Application

Over a three year period, from 2016-2019, this project demonstrated the scientific benefits of integrating the Titan supercomputer at Oak Ridge Leadership Computing Facility into traditional high throughput grid based distributed computing systems managed by PanDA, the workflow management system used for the execution of all distributed computing applications by the ATLAS experiment at the Large Hadron Collider. PanDA manages millions of batch jobs daily at hundreds of clusters worldwide on request by thousands of physicist users, and processes more than an exabyte of data annually using grid middleware. High levels of operational use of Titan was sustained by PanDA in order to meet the physics goals of ATLAS. The success of this project led to the use of other supercomputers worldwide by ATLAS, and to the adoption of PanDA by other experiments and other scientists. Multiple innovative operational and computer science research goals were achieved supporting the use of supercomputers for scientific domains with large scale distributed data and distributed processing needs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Report on the LLNL Global Full-waveform Inversion Workflow and Progress

LLNL has developed the SPiRaL global seismic tomography model based upon millions of body wave travel times and surface wave dispersion curves in the period range of 25-200 seconds (Simmons et al., 2021). The motivation to construct the SPiRaL model (which stands for S-, P-, Rayleigh, and Love waves) is based upon the guidance provided by a 3-D model workshop held in Berkeley in 2007 and documented in a paper by Zucca et al. (2009). It was concluded in Zucca et al. (2009) that a “practical and obtainable” model is one that predicts body wave travel times for event location while also predicting surface wave velocities for moment tensor estimation. We have largely followed that guidance which has led to the construction of SPiRaL. Looking forward, we now seek to improve the global model through full waveform inversion (FWI). This necessitates the development/customization of an efficient and flexible modeling workflow to automate the process using LLNL’s supercomputing platforms. This report briefly outlines the work that being performed at LLNL to develop the necessary tools and framework to update the SPiRaL global model with full waveform information.

58 GEOSCIENCES↗
DOE OSTI2022

An introduction to developing GitLab/Jacamar runner analyst centric workflows at Sandia

This document provides very basic background information and initial enabling guidance for computational analysts to develop and utilize GitOps practices within the Common Engineering Environment (CEE) and High Performance Computing (HPC) computational environment at Sandia National Laboratories through GitLab/Jacamar runner based workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Algorithms and file structures to enhance software workflows for ion mobility mass spectrometry (IM-MS): CRADA 410 (Final Report)

This document is the final report for CRADA 410 (Project No. 72496). The purpose of this project was supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based metabolite characterization. PNNL worked with Agilent to evaluate and improve the integration of ion mobility into existing MS data analysis methods of Agilent software tools. The project augmented PNNL’s capabilities to analyze complex omics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining ion mobility with mass spectrometry for widespread applications in life sciences and other fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Augmenting the Structural Dynamics Workflow to Reduce Development Times [Slides]

The structural dynamics workflow at LANL stands to be improved by implementing methods and techniques related to reduced-order finite-element modeling (FEM), pretest predictions, and FEM-test correlation and updating. The benefits of these industry-standard practices are demonstrated in this work. Software used for this project included Ansys 2023 R2 (Mechanical and Spaceclaim), Creo Parametric 8.0, MathCAD Prime 8.0, Matlab R2023b.

42 ENGINEERING↗
DOE OSTI2023

Advanced Manufacturing Workflows for Tokamak Internal Components

The project aim was to create a new advanced manufacturing workflow for the design and creation of an internal component in a fusion device, enabling a low-cost, rapid design and fabrication cycle. As a result, two demonstration components were manufactured, and mechanical properties for two feedstock materials were tested in the context of fusion device conditions. This work shows a technological scoping toward future manufacturing of complex components in topologies relevant to magnetic fusion devices via additive manufacturing.

42 ENGINEERING↗