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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 775 records · Page 43
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DOE OSTI2022

Fusion Energy Sciences Network Requirements Review. Final Report, April - October 2021

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all of its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. Throughout 2021, ESnet and the Office of Fusion Energy Sciences (FES) of the DOE SC organized an ESnet requirements review of FES-supported activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about their relationship to the FES program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

ARIES Network Requirements Review

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all of its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. On May 1, 2021, ESnet and the DOE Office of Energy Efficiency and Renewable Energy (EERE), organized an ESnet requirements review of the ARIES (Advanced Research on Integrated Energy Systems) platform. Preparation for this event included identification of key stakeholders to the process: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents in order to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

Basic Energy Sciences Network Requirements Review (Final Report)

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all of its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. Between March and September 2022, ESnet and the Office of Basic Energy Sciences (BES) of the DOE SC organized an ESnet requirements review of BES-supported activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the BES program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

High Energy Physics Network Requirements Review: One-Year Update

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education (R&E) networking community. In April 2022, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for the review included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about the group’s relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Biological and Environmental Research Network Requirements Review (Final Report)

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education (R&E) networking community. Between August 2022 and April 2023, ESnet and the Office of Biological and Environmental Research (BER) of the DOE SC organized an ESnet requirements review of BER-supported activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the BER ESS program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deep learning models map rapid plant species changes from citizen science and remote sensing data

Anthropogenic habitat destruction and climate change are reshaping the geographic distribution of plants worldwide. However, we are still unable to map species shifts at high spatial, temporal, and taxonomic resolution. Here, we develop a deep learning model trained using remote sensing images from California paired with half a million citizen science observations that can map the distribution of over 2,000 plant species. Our model— Deepbiosphere— not only outperforms many common species distribution modeling approaches (AUC 0.95 vs. 0.88) but can map species at up to a few meters resolution and finely delineate plant communities with high accuracy, including the pristine and clear-cut forests of Redwood National Park. These fine-scale predictions can further be used to map the intensity of habitat fragmentation and sharp ecosystem transitions across human-altered landscapes. In addition, from frequent collections of remote sensing data, Deepbiosphere can detect the rapid effects of severe wildfire on plant community composition across a 2-y time period. These findings demonstrate that integrating public earth observations and citizen science with deep learning can pave the way toward automated systems for monitoring biodiversity change in real-time worldwide.

Gillespie, Lauren E.↗
DOE OSTI2017

The DES Bright Arcs Survey: Hundreds of Candidate Strongly Lensed Galaxy Systems from the Dark Energy Survey Science Verification and Year 1 Observations

We report the results of searches for strong gravitational lens systems in the Dark Energy Survey (DES) Science Verification and Year 1 observations. The Science Verification data span approximately 250 sq. deg. with a median i -band limiting magnitude for extended objects (10 σ ) of 23.0. The Year 1 data span approximately 2000 sq. deg. and have an i -band limiting magnitude for extended objects (10 σ ) of 22.9. As these data sets are both wide and deep, they are particularly useful for identifying strong gravitational lens candidates. Potential strong gravitational lens candidate systems were initially identified based on a color and magnitude selection in the DES object catalogs or because the system is at the location of a previously identified galaxy cluster. Cutout images of potential candidates were then visually scanned using an object viewer and numerically ranked according to whether or not we judged them to be likely strong gravitational lens systems. Having scanned nearly 400,000 cutouts, we present 374 candidate strong lens systems, of which 348 are identified for the first time. We provide the R.A. and decl., the magnitudes and photometric properties of the lens and source objects, and the distance (radius) of the source(s) from the lens center for each system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Stiff neural ordinary differential equations

Neural Ordinary Differential Equations (ODEs) are a promising approach to learn dynamical models from time-series data in science and engineering applications. This work aims at learning neural ODEs for stiff systems, which are usually raised from chemical kinetic modeling in chemical and biological systems. We first show the challenges of learning neural ODEs in the classical stiff ODE systems of Robertson’s problem and propose techniques to mitigate the challenges associated with scale separations in stiff systems. We then present successful demonstrations in stiff systems of Robertson’s problem and an air pollution problem. The demonstrations show that the usage of deep networks with rectified activations, proper scaling of the network outputs as well as loss functions, and stabilized gradient calculations are the key techniques enabling the learning of stiff neural ODEs. The success of learning stiff neural ODEs opens up possibilities of using neural ODEs in applications with widely varying time-scales, such as chemical dynamics in energy conversion, environmental engineering, and life sciences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Creating a Tools Ecosystem for Cross-Discipline Environmental Data Reuse

Reusing data is difficult even within well-defined science communities and only gets worse when combining data from multiple communities and disciplines. Through the lens of current work on constructing an environmental epidemiological data set from multiple disciplinary sources, we demonstrate the need for a new tool ecosystem to support heterogeneous Big Data science. Extending existing community standards for schemas and/or data formats through human auditing and wrangling of the data is not feasible at scale. This work therefore suggests new approaches for the multi-disciplinary communities to build a shared tool ecosystem for big data. We discuss both the larger context of data wrangling of epidemiological data sets for novel artificial intelligence algorithms and the specific lessons from working with these multi-disciplinary data sets. Adopting a more model-driven, automatable approach promises not only better efficiency but also removes key sources of human-generated errors and promotes reuse and reproducibility of science data.

Logan, Jeremy↗
DOE OSTI2026

Targeted delivery of genome editors in vivo

Genome editing has revolutionized the treatment of genetic diseases, yet the difficulty of tissue-specific delivery currently limits applications of editing technology. Here, in this Review, we discuss preclinical and clinical advances in delivering genome editors with both established and emerging delivery mechanisms. Targeted delivery promises to considerably expand the therapeutic applicability of genome editing, moving closer to the ideal of a precise ‘magic bullet’ that safely and effectively treats diverse genetic disorders.

Ngo, Wayne [University of California, Berkeley, CA↗
DOE OSTI2023

Orchestration of materials science workflows for heterogeneous resources at large scale

In the era of big data, materials science workflows need to handle large-scale data distribution, storage, and computation. Any of these areas can become a performance bottleneck. We present a framework for analyzing internal material structures (e.g., cracks) to mitigate these bottlenecks. We demonstrate the effectiveness of our framework for a workflow performing synchrotron X-ray computed tomography reconstruction and segmentation of a silica-based structure. Our framework provides a cloud-based, cutting-edge solution to challenges such as growing intermediate and output data and heavy resource demands during image reconstruction and segmentation. Specifically, our framework efficiently manages data storage, scaling up compute resources on the cloud. The multi-layer software structure of our framework includes three layers. A top layer uses Jupyter notebooks and serves as the user interface. A middle layer uses Ansible for resource deployment and managing the execution environment. A low layer is dedicated to resource management and provides resource management and job scheduling on heterogeneous nodes (i.e., GPU and CPU). At the core of this layer, Kubernetes supports resource management, and Dask enables large-scale job scheduling for heterogeneous resources. The broader impact of our work is four-fold: through our framework, we hide the complexity of the cloud’s software stack to the user who otherwise is required to have expertise in cloud technologies; we manage job scheduling efficiently and in a scalable manner; we enable resource elasticity and workflow orchestration at a large scale; and we facilitate moving the study of nonporous structures, which has wide applications in engineering and scientific fields, to the cloud. While we demonstrate the capability of our framework for a specific materials science application, it can be adapted for other applications and domains because of its modular, multi-layer architecture.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The MolSSI QCArchive project: An open-source platform to compute, organize, and share quantum chemistry data

The Molecular Sciences Software Institute's (MolSSI) Quantum Chemistry Archive (QCArchive) project is an umbrella name that covers both a central server hosted by MolSSI for community data and the Python-based software infrastructure that powers automated computation and storage of quantum chemistry (QC) results. The MolSSI-hosted central server provides the computational molecular sciences community a location to freely access tens of millions of QC computations for machine learning, methodology assessment, force-field fitting, and more through a Python interface. Facile, user-friendly mining of the centrally archived quantum chemical data also can be achieved through web applications found at the website. The software infrastructure can be used as a standalone platform to compute, structure, and distribute hundreds of millions of QC computations for individuals or groups of researchers at any scale. The QCArchiveInfrastructure is open-source (BSD-3C), code repositories can be found at github, and releases can be downloaded via PyPI and Conda. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Software > Quantum Chemistry Data Science > Computer Algorithms and Programming

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Efficient and generalizable nested Fourier-DeepONet for three-dimensional geological carbon sequestration

Geological carbon sequestration (GCS) involves injecting CO2 into subsurface geological formationsfor permanent storage. Numerical simulations could guide decisions in GCS projects by predictingCO 2 migration pathways and the pressure distribution in storage formation. However, these simula-tions are often computationally expensive due to highly coupled physics and large spatial-temporalsimulation domains. Surrogate modelling with data-driven machine learning has become a promis-ing alternative to accelerate physics-based simulations. Among these, the Fourier neural operator(FNO) has been applied to three-dimensional synthetic subsurface models. Despite its good accuracyin simulating CO 2 plume migration, it requires large computational resources in training and alsolacks generalizability. Here, to further improve performance, we have developed a nested Fourier-DeepONet by combining the expressiveness of the FNO with the modularity of a deep operatornetwork (DeepONet). This new framework is twice as efficient as a nested FNO for training and has atleast 80% lower GPU memory requirement due to its flexibility to treat temporal coordinates sepa-rately. These performance improvements are achieved without compromising prediction accuracy.In addition, the generalization and extrapolation ability of nested Fourier-DeepONet beyond thetraining range has been thoroughly evaluated. Nested Fourier-DeepONet outperformed the nestedFNO for extrapolation in time with more than 50% reduced error. It also exhibited good extrapolationaccuracy beyond the training range in terms of reservoir properties, number of wells, and injectionrate.

Lee, Jonathan E. [Department of Chemical and Envir↗
DOE OSTI2021

Supporting Co-Design of Extreme-Scale Systems with In Situ Visual Analysis of Event-Driven Simulations (Final Report)

Extreme-scale systems for compute- and data-centric science are pushing the boundaries of system architectures in order to achieve ambitious goals in terms of computing capability, resilience, and power efficiency. Future systems necessitate emerging designs that incorporate new technologies, system organizations, and computer science techniques, and these changes are not yet well understood. Discrete-event-driven simulation of computing system architectures and subsystems has emerged as a productive and cost-effective means to evaluating potential designs, along with capabilities for executing these simulations of extreme-scale systems. However, techniques for analyzing the behavior of these simulations have not kept pace with our ability to perform the simulations, preventing us from extracting the most value from this promising approach. The objective of this project is to support the codesign of extreme-scale system architectures for compute and data-centric science through research and development of novel methods for analysis and visualization of large-scale event-driven simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Quasar classification using color and variability

We conduct a pilot investigation to determine the optimal combination of color and variability information to identify quasars in current and future multi-epoch optical surveys. We use a Bayesian quasar selection algorithm to identify 35,820 type 1 quasar candidates in a 239 deg{sup 2} field of the Sloan Digital Sky Survey (SDSS) Stripe 82, using a combination of optical photometry and variability. Color analysis is performed on 5-band single- and multi-epoch SDSS optical photometry to a depth of r∼22.4. From these data, variability parameters are calculated by fitting the structure function of each object in each band with a power-law model using 10 to >100 observations over timescales from ∼1 day to ∼8 years. Selection was based on a training sample of 13,221 spectroscopically confirmed type-1 quasars, largely from the SDSS. Using variability alone, colors alone, and combining variability and colors we achieve 91%, 93%, and 97% quasar completeness and 98%, 98%, and 97% efficiency, respectively, with particular improvement in the selection of quasars at 2.7<z<3.5 where quasars and stars have similar optical colors. The 22,867 quasar candidates that are not spectroscopically confirmed reach a depth of i∼22.0; 21,876 (95.7%) are dimmer than coadded i-band magnitude of 19.9, the cutoff for spectroscopic follow-up for SDSS on Stripe 82. Brighter than 19.9, we find 5.7% more quasar candidates without confirming spectra in sky regions otherwise considered complete. The resulting quasar sample has sufficient purity (and statistically correctable incompleteness) to produce a luminosity function comparable to those determined by spectroscopic investigations. We discuss improvements that can be made to the process in preparation for performing similar photometric selection and science on data from post-SDSS sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Non-parametric projections of national income distribution consistent with the Shared Socioeconomic Pathways

Understanding and projecting income distributions within countries and regions is important to understanding consumption trends and the distributional consequences of climate impacts and responses. Several global, country-level projections of income distribution are available but most project only the Gini coefficient (a summary statistic of the distribution) or utilize the Gini along with the assumption of a lognormal distribution. We test the lognormal assumption and find that it typically underestimates income in the highest deciles and over-estimates it in others. We find that a new model based on two principal components of national time series data for income distribution provides a better fit to the data for all deciles, especially for the highest and lowest. We also construct a projection model in which the first principal component is driven by the Gini coefficient and the second captures deviations from this relationship. We use the model to project income distribution by decile for all countries for the five shared socioeconomic pathways. We find that inequality is consistently higher than projections based on the Gini and the lognormal functional form, with some countries reaching ratios of the highest to lowest income deciles that are almost three times their value using the lognormal assumption.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗