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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optimal Design Approaches for Cost-Effective Manufacturing & Deployment of Chemical Process Families with Economies of Numbers

This work builds on our optimization formulation for process family design and extends it to explicitly include the benefits of economies of numbers. Economies of numbers (sometimes referred to as economies of learning) is a well-documented cost saving phenomenon. It characterizes the manufacturing cost savings due to standardization; in particular, it is capturing the correlation between cost reduction and the number of times a particular product has been manufactured. Following an approach similar to that in Gazzaneo et al. (2022), we develop a costing expression that captures material costs and manufacturing costs as a function of the number of unit modules produced. If the platform has a small number of unit module designs, we will be manufacturing a large number of each of these designs and gaining increased benefits from economies of numbers. However, increasing the number of unit module designs in the platform gives each process variant more choices to consider (at the cost of reducing economies of numbers). The optimization formulation in Stinchfield et al. (2023) pre-specified the number of unit module designs to be included in the platform. Here, by including the economies of numbers explicitly, we allow the mathematical programming formulation to determine the optimal number of unit module designs to include in the platform. We demonstrate this approach on multiple case studies, including MEA-based carbon capture and water desalination.

Stinchfield, Georgia↗
DOE OSTI2023

Multi-scale Modeling Using IDAES

This presentation was delivered at the 2023 FECM / NETL Spring R&D Project Review Meeting. It demonstrated how the IDAES platform is enabling unique analyses across multiple scales. Focus areas included solid oxide fuel cell/solid oxide electrolysis cell-based integrated energy systems with the flexibility to produce both hydrogen and electricity as well as long term expansion planning of future decarbonized electricity grids.

Burgard, Anthony↗
DOE OSTI2024

Multiparameter optical fiber sensing for energy infrastructure through nanoscale light–matter interactions: From hardware to software, science to commercial opportunities

Monitoring of energy infrastructure through robust yet economical sensing platforms is becoming an area of increased importance, with ubiquitous applications including the electrical grid, natural gas and oil transportation pipelines, H2 infrastructure (storage and transportation), carbon storage, power generation, and subsurface environments. Plasmonic and functional nanomaterial enabled fiber optic sensors show excellent promise for a wide range of sensing applications due to their versatility to be engineered for specific analytes of interest while retaining inherent advantages of the optical fiber sensor platform. Through the design of novel sensing layers, the optical transduction mechanism and wavelength dependence can also be tailored for ease of integration with low-cost interrogation systems enabling an inexpensive yet highly functional optical fiber sensing platform. In addition, recent advances in artificial intelligence and machine learning theoretical methods have been leveraged to simultaneously extract multiple parameters through multi-wavelength interrogation such that unique wavelengths can also serve as unique sensing elements, analogous to electronic nose sensor technologies. The concept of an optical fiber based “photonic nose” via multiple interrogation wavelengths and/or sensor nodes offers a compelling platform technology to realize multiparameter speciation of chemical analytes within complex gas mixtures. In this Perspective, we further generalize the notion of multiparameter sensing through the novel “photonic nervous system” concept based upon low-cost, functionalized optical fiber sensor probes monitoring a variety of distinct analyte classes (physical, chemical, electromagnetic, etc.) simultaneously to provide broad situational awareness via integrated sensors.

Su, Yang-Duan (ORCID:0000000214820902)↗
DOE OSTI2021

Nanoscale chromatin imaging and analysis platform bridges 4D chromatin organization with molecular function

Extending across multiple length scales, dynamic chromatin structure is linked to transcription through the regulation of genome organization. However, no individual technique can fully elucidate this structure and its relation to molecular function at all length and time scales at both a single-cell level and a population level. Here, we present a multitechnique nanoscale chromatin imaging and analysis (nano-ChIA) platform that consolidates electron tomography of the primary chromatin fiber, optical super-resolution imaging of transcription processes, and label-free nano-sensing of chromatin packing and its dynamics in live cells. Using nano-ChIA, we observed that chromatin is localized into spatially separable packing domains, with an average diameter of around 200 nanometers, sub-megabase genomic size, and an internal fractal structure. The chromatin packing behavior of these domains exhibits a complex bidirectional relationship with active gene transcription. Furthermore, we found that properties of PDs are correlated among progenitor and progeny cells across cell division.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Micromachined Silicon Platform for Precise Assembly of 2D Multilayer Laue Lenses for High-Resolution X-ray Microscopy

We report on a developed micromachined silicon platform for the precise assembly of 2D multilayer Laue lenses (MLLs) for high-resolution X-ray microscopy. The platform is 10 × 10 mm2 and is fabricated on ~500 µm thick silicon wafers through multiple steps of photolithography and deep reactive-ion etching. The platform accommodates two linear MLLs in a pre-defined configuration with precise angular and lateral position control. In this work, we discuss the design and microfabrication of the platform, and characterization regarding MLLs assembly, position control, repeatability, and stability. The results demonstrate that a micromachined platform can be used for the assembly of a variety of MLLs with different dimensions and optical parameters. The angular misalignment of 2D MLLs is well controlled in the range of the designed accuracy, down to a few millidegrees. The separation distance between MLLs is adjustable from hundreds to more than one thousand micrometers. The use of the developed platform greatly simplifies the alignment procedure of the MLL optics and reduces the complexity of the X-ray microscope. It is a significant step forward for the development of monolithic 2D MLL nanofocusing optics for high-resolution X-ray microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Simultaneous Control of Flexibility and Rigidity in Pore-Space-Partitioned Metal–Organic Frameworks

Flexi-MOFs are typically limited to low-connected (< 9) frameworks. Here we report a platform-wide approach capable of creating a family of high-connected materials (collectively called CPM-220) that integrate exceptional framework flexibility with high rigidity. We show that the multi-module nature of the pore-space-partitioned pacs (partitioned acs net) platform allows us to introduce flexibility as well as to simultaneously impose high rigidity in a tunable module-specific fashion. The inter-modular synergy has remarkable macro-morphological and sub-nanometer structural impacts. A prominent manifestation at both length scales is the retention of X-ray-quality single crystallinity despite huge hexagonal c-axial contraction (≈ 30%) and harsh sample treatment such as degassing and sorption cycles. CPM-220 sets multiple precedents and benchmarks on the pacs platform in both structural and sorption properties. Furthermore, they possess exceptionally high benzene/cyclohexane selectivity, unusual C 3 H 6 and C 3 H 8 isotherms, and promising separation performance for small gas molecules such as C 2 H 2 /CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Enhancements supporting IC usage of PEM libraries on next-gen platforms

This milestone reports on the culmination of several years of effort by multiple PEM support software development teams to provide capabilities for use in LLNL-developed integrated codes on next-gen ASC platforms, including GPU support. We will provide a survey of relevant Application Program Interfaces (API) that are required to support LLNL IC code capability on relevant architectures, with a focus on Sierra and El Capitan. We will identify and summarize all dependencies between PEM supported libraries and IC supported physics codes. We will provide an assessment of algorithmic improvements that have been deployed, as well as future developments that are required to complete the GPU porting efforts. This assessment will include a description of programming models adopted by each of the PEM projects, distinct algorithmic challenges for each of the capabilities, and information about sharing GPU memory between the APIs and host codes. We will develop targeted test problems to assess computational performance. Finally, this milestone will result in identification of gaps in our effort to assist the LLNL ASC program in prioritization of effort for porting software to El Capitan.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Correlation between Sensor Performance, Autonomy Performance and Fuel-Efficiency in Semi-Truck Platoons

Semi-trucks, specifically class-8 trucks, have recently become a platform of interest for autonomy systems. Platooning involves multiple trucks following each n close proximity, with only the lead truck being manually driven and the rest being controlled autonomously. This approach to semi-truck autonomy is easily integrated on existing platforms, reduces delivery times, and reduces green- house gas emissions via fuel economy benefits. Level 1 SAE fuel studies were performed on class-8 trucks operating with the Auburn Cooperative Adaptive Cruise Control (CACC) system, and fuel savings up to 10-12% were seen. Enabling platooning autonomy required the use of radar, global positioning systems (GPS), and wireless vehicle-to-vehicle (V2V) communication. Poor measurements and state estimates can lead to incorrect or missing positioning data, which can lead to unnecessary dynamics and finally wasted fuel. This is especially an issue if deceleration is applied in response to a bad measurement. In this study, a faulty radar was shown to cause a greater than 5% increase in fuel consumption. The mechanism of this fuel consumption increase is investigated and applied to other types of sensor failures to indicate their potential effects on fuel economy. This analysis indicates that poor GPS signals over short time can be largely filtered out, with no real gain or loss of fuel economy. V2V communications were intentionally limited by causing interference, which resulted in dropped communication packets over a small physical area, but not an appreciable impact on fuel economy.

vehicle platooning, sensor performance, semi-auton↗
DOE OSTI2022

Towards mapping biodiversity from above: Can fusing lidar and hyperspectral remote sensing predict taxonomic, functional, and phylogenetic tree diversity in temperate forests?

Abstract Aim Rapid global change is impacting the diversity of tree species and essential ecosystem functions and services of forests. It is therefore critical to understand and predict how the diversity of tree species is spatially distributed within and among forest biomes. Satellite remote sensing platforms have been used for decades to map forest structure and function but are limited in their capacity to monitor change by their relatively coarse spatial resolution and the complexity of scales at which different dimensions of biodiversity are observed in the field. Recently, airborne remote sensing platforms making use of passive high spectral resolution (i.e., hyperspectral) and active lidar data have been operationalized, providing an opportunity to disentangle how biodiversity patterns vary across space and time from field observations to larger scales. Most studies to date have focused on single sites and/or one sensor type; here we ask how multiple sensor types from the National Ecological Observatory Network’s Airborne Observation Platform (NEON AOP) perform across multiple sites in a single biome at the NEON field plot scale (i.e., 40 m × 40 m). Location Eastern USA. Time period 2017–2018. Taxa studied Trees. Methods With a fusion of hyperspectral and lidar data from the NEON AOP, we assess the ability of high resolution remotely sensed metrics to measure biodiversity variation across eastern US temperate forests. We examine how taxonomic, functional, and phylogenetic measures of alpha diversity vary spatially and assess to what degree remotely sensed metrics correlate with in situ biodiversity metrics. Results Models using estimates of forest function, canopy structure, and topographic diversity performed better than models containing each category alone. Our results show that canopy structural diversity, and not just spectral reflectance, is critical to predicting biodiversity. Main conclusions We found that an approach that jointly leverages spectral properties related to leaf and canopy functional traits and forest health, lidar derived estimates of forest structure, fine‐resolution topographic diversity, and careful consideration of biogeographical differences within and among biomes is needed to accurately map biodiversity variation from above.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Opportunities for an Integrated Web-Based Workbench for Data Access and Analysis - 20244

Management of environmental issues can require integration of multiple types of data and information, conducting data analysis and interpretation, and providing data visualization for effective communications. These data elements are important for site management to support regulator interactions and provide defensibility for remedial decisions. Databases and information repositories are core elements of managing data; however, efficient data access and analysis also enable effective site management. The U.S. Department of Energy (DOE) Hanford Site is an example of a complex site with a voluminous quantity of environmental data and a need for efficient site management. Different tiers of data and information tools have been developed and deployed to address site needs. These tools are configured for ready access via the web site interfaces and meet the rigorous quality requirements for environmental site management. Evolving efforts are focused on an integrated platform to meet site environmental management needs. In this platform, users can access site information at multiple levels of detail based on their need and permissions, so that data and associated analyses are presented within the context of the site mission and the user's management or technical needs. This concept is not only applicable at individual sites like Hanford but also applicable at other sites within the DOE complex. An integrated web-based architecture that links data visualization, data analytics, and management tools can provide holistic access to large data sets, minimize complexity, and maximize interactivity and technical communication. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

HARD: A performance portable radiation hydrodynamics code based on FleCSI framework

Hydrodynamics And Radiation Diffusion (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Bergen et al., 2021 [1]) (Flexible Computational Science Infrastructure) framework, HARD expresses its computational units as tasks whose execution can be orchestrated by multiple back-end runtimes, including Legion (Bauer et al., 2012 [2]), MPI (Forum, 1994 [3]), and HPX (Kaiser et al., 2020 [4]). Node-level parallelism is handled through Kokkos (Edwards et al., 2014 [5]), providing a single-source, portable code base that runs efficiently on laptops, small homogeneous clusters, and the largest heterogeneous supercomputers currently available. To ensure scientific reliability, HARD includes a regression test suite that automatically reproduces canonical verification problems such as the Sod and LeBlanc shock tubes, and the Sedov blast wave, comparing numerical solutions against known analytical results. The project is distributed under an OSI-approved license, hosted on GitHub, and accompanied by reproducible build scripts and continuous integration workflows. This combination of performance portability, verification infrastructure, and community-focused development makes HARD a sustainable platform for advancing radiation hydrodynamics research across multiple domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Assessment of the feedstock supply for siting single- and multiple-feedstock biorefineries in the USA and identification of prevalent feedstocks

An integrated multi-feedstock bioenergy (i.e., biofuel, biopower, or bioproduct) supply system has potential to reduce biomass supply system uncertainties and costs. This study identifies optimal configurations of multi-feedstock biomass-to-biorefinery supply chains and pertinent feedstock combinations based on spatial distribution of feedstock and lowest delivered cost to the biorefinery. We used the Supply Characterization Model (SCM) to allocate feedstock supplies to candidate biorefinery facilities. Model runs were performed for herbaceous energy crops, agriculture residue, and woody biomass available in 2017, 2022, 2025, and 2030 as estimated by the Policy Analysis System (POLYSYS) and Forest Sustainable and Economic Analysis Model (ForSEAM) models. Three feedstock supply scenarios were compared: (a) an herbaceous scenario: switchgrass, miscanthus, biosorghum, and corn stover; (b) a woody scenario: coppice wood, noncoppice wood, whole trees, and forestry residues, and (c) a mixed scenario: a combination of all feedstocks in herbaceous and woody scenarios. By 2030 the analyses predicted that 323, 168, and 473 biorefineries were sited in the herbaceous, woody, and mixed scenario, respectively, in the conterminous USA. Feedstock mixes supplied to the biorefineries were mostly dominated by a single feedstock. The most prominent feedstock mixes identified were: (1) switchgrass and miscanthus; (2) coppice and noncoppice wood; and (3) coppice wood, noncoppice wood, switchgrass and miscanthus. Biorefineries using multi-feedstock would be beneficial for growth of bioeconomy, however flexible and cost-effective conversion platforms should be developed to efficiently utilize multiple feedstocks. This analysis identifies biorefinery locations and feedstock supply mixes while minimizing delivered feedstock costs based on spatial and temporal feedstock availability.

09 BIOMASS FUELS↗
DOE OSTI2024

Programmable Heisenberg interactions between Floquet qubits

Abstract The trade-off between robustness and tunability is a central challenge in the pursuit of quantum simulation and fault-tolerant quantum computation. In particular, quantum architectures are often designed to achieve high coherence at the expense of tunability. Many current qubit designs have fixed energy levels and consequently limited types of controllable interactions. Here by adiabatically transforming fixed-frequency superconducting circuits into modifiable Floquet qubits, we demonstrate an XXZ Heisenberg interaction with fully adjustable anisotropy. This interaction model can act as the primitive for an expressive set of quantum operations, but is also the basis for quantum simulations of spin systems. To illustrate the robustness and versatility of our Floquet protocol, we tailor the Heisenberg Hamiltonian and implement two-qubit iSWAP, CZ and SWAP gates with good estimated fidelities. In addition, we implement a Heisenberg interaction between higher energy levels and employ it to construct a three-qubit CCZ gate, also with a competitive fidelity. Our protocol applies to multiple fixed-frequency high-coherence platforms, providing a collection of interactions for high-performance quantum information processing. It also establishes the potential of the Floquet framework as a tool for exploring quantum electrodynamics and optimal control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Analysis of core asymmetries in inertial confinement fusion implosions using three-dimensional hot-spot reconstruction

Three-dimensional effects play a crucial role during the hot-spot formation in inertial confinement fusion (ICF) implosions. A data analysis technique for 3D hot-spot reconstruction from experimental observables has been developed to characterize the effects of low modes on 3D hot-spot formations. In nuclear measurements, the effective flow direction, governed by the maximum eigenvalue in the velocity variance of apparent ion temperatures, has been found to agree with the measured hot-spot flows for implosions dominated by mode ℓ = 1. Asymmetries in areal-density (ρR) measurements were found to be characterized by a unique cosine variation along the hot-spot flow axis. In x-ray images, a 3D hot-spot x-ray emission tomography method was developed to reconstruct the 3D hot-spot plasma emissivity using a generalized spherical-harmonic Gaussian function. The gradient-descent algorithm was used to optimize the mapping between the projections from the 3D hot-spot emission model and the measured x-ray images along multiple views. Furthermore, this work establishes a platform to analyze 3D low-mode core asymmetries in ICF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Impurity gas detection for SNF canisters using probabilistic deep learning and acoustic sensing *

Abstract Monitoring impurity gases in spent nuclear fuel (SNF) canisters is a novel structural health monitoring approach for SNF in dry storage. The SNF canisters are sealed containers that do not facilitate visual access to the inside. Acoustic sensing can be deployed by taking advantage of the pathways unobstructed by internal hardware. Although the ultrasonic time-of-flight measurement can provide valuable information, it is limited in its ability to discern the concentration of only one impurity gas. As such, deep learning algorithms, particularly convolutional neural networks (CNNs), offer a promising solution. In this study, CNN-based probabilistic deep learning models were implemented to detect and quantify multiple impurity gases in helium. An experimental platform was established to simulate canister conditions, and ultrasonic test data were collected. The presence of argon and air in helium at concentrations ranging from 0% to 1.2% at increments of 0.05% was considered. The multi-layer perceptron, decision tree, and logistic regression classifiers achieved high accuracies when distinguishing pure helium from helium with impurities. CNN with dropout layers and CNN using maximum likelihood estimation showed a similar performance, indicating their ability to capture uncertainties. The ensemble CNN model exhibited improved predictions and the ability to balance individual gas concentration by integrating 1D- and 2D-CNN models. These findings contribute probabilistic deep learning solutions for impurity gas detection and analysis within SNF canisters, thus ensuring safe storage and management of SNFs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Traveler: Navigating Task Parallel Traces for Performance Analysis

Understanding the behavior of software in execution is a key step in identifying and fixing performance issues. This is especially important in high performance computing contexts where even minor performance tweaks can translate into large savings in terms of computational resource use. To aid performance analysis, developers may collect an execution trace —a chronological log of program activity during execution. As traces represent the full history, developers can discover a wide array of possibly previously unknown performance issues, making them an important artifact for exploratory performance analysis. However, interactive trace visualization is difficult due to issues of data size and complexity of meaning. Traces represent nanosecond-level events across many parallel processes, meaning the collected data is often large and difficult to explore. The rise of asynchronous task parallel programming paradigms complicates the relation between events and their probable cause. Here, to address these challenges, we conduct a continuing design study in collaboration with high performance computing researchers. We develop diverse and hierarchical ways to navigate and represent execution trace data in support of their trace analysis tasks. Through an iterative design process, we developed Traveler , an integrated visualization platform for task parallel traces. Traveler provides multiple linked interfaces to help navigate trace data from multiple contexts. We evaluate the utility of Traveler through feedback from users and a case study, finding that integrating multiple modes of navigation in our design supported performance analysis tasks and led to the discovery of previously unknown behavior in a distributed array library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Testing biasedness of self-reported microbusiness innovation in the annual business survey

This study tests for potential bias in self-reported innovation due to the inclusion of a research and development (R&D) module that only microbusinesses (less than 10 employees) receive in the Annual Business Survey (ABS). Previous research found that respondents to combined innovation/R&D surveys reported innovation at lower rates than respondents to innovation-only surveys. A regression discontinuity design is used to test whether microbusinesses, which constitute a significant portion of U.S. firms with employees, are less likely to report innovation compared to other small businesses. In the vicinity of the 10-employee threshold, the study does not detect statistically significant biases for new-to-market and new-to-business product innovation. Statistical power analysis confirms the nonexistence of biases with a high power. Comparing the survey design of ABS to earlier combined innovation/R&D surveys provides valuable insights for the proposed integration of multiple Federal surveys into a single enterprise platform survey. The findings also have important implications for the accuracy and reliability of innovation data used as an input to policymaking and business development strategies in the United States.

99 GENERAL AND MISCELLANEOUS↗