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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

An HDF5-Based Framework for the Distribution and Analysis of Ultrasonic Concrete Data

There are many commercial ultrasonic tomography devices (UTDs) available for use in nondestructive evaluation (NDE) of reinforced concrete structures. These devices emit, measure, and store ultrasonic signals typically in the 25 kHz to 5 MHz frequency range. UTDs are characterized by a composition of multiple transducers, also known as a transducer array or phased array. Often, UTDs data are in a proprietary format. Consequently, NDE research data is limited to those who have prior non-disclosure agreements or the appropriate licenses. Thus, there is a need for a proper universal data framework to exist such that proprietary file datasets for different concrete specimens can be converted, organized, and stored with relative metadata for individual or collaborative NDE research. Building upon the Hierarchical Data Format (HDF5) model, we have developed a UTD data management framework and Graphic User Interface (GUI) to promote the algorithmic reconstruction of ultrasonic data in a controlled environment for easily reproducible and publishable results.

concrete NDE↗
DOE OSTI2014

Structural dynamics inside a functionalized metal–organic framework probed by ultrafast 2D IR spectroscopy

Significance A unique aspect of metal–organic frameworks (MOFs) is their structural flexibility coexisting with a degree of regularity. Adsorbed guest molecules can cause MOF pore shapes to deform. Pore shape changes may be related to the high capacity and selectivity of the MOFs for gas adsorption and other processes. MOF flexibility and other properties are influenced by fast dynamics of the framework. Direct measurements to characterize fast motions of the MOFs have not been applied previously. We show that 2D IR spectroscopy can be performed on functionalized MOFs. We use 2D IR and other ultrafast IR methods to elucidate the timescales for ultrafast structural fluctuations and how they are influenced by a solvent filling the pores.

2D IR spectroscopy↗
DOE OSTI2016

A new framework for integrated climate finance and inclusive responses to sustainable development in Malaysia

With Malaysia's commitment to both mitigation and adaptation, the 21st Conference of Parties to the United Nations Framework Convention for Climate Change in Paris, 2015, will be both an opportunity to showcase best practices and a forum to promote international ownership of climate challenge before it becomes a catastrophe. Our experience with weather extremes is that the best time to intervene is at the risk level via prevention and preparedness, compared to any wait-and-see approach. As the Honourable Prime Minister of Malaysia, Dato' Sri Mohd Najib Abdul Razak, elaborated during the recent 11th Malaysia Plan presentation to the parliament, ‘such an approach has to be seen as part of adopting green growth and increasing our commitment to long-term sustainability’. Malaysia is also aware that this requires policy support, technological interventions and financial commitment. It is for this reason the Malaysia's pledge at the Copenhagen COP-15 was to reduce its carbon emission by 40% from 2005 levels by 2020, subject to technology transfer and financial support by developed countries. Having achieved a 33% reduction in the last five years, Malaysia is convinced that it can reach the 40% target following an inclusive partnership framework for action.

Climate Change↗
DOE OSTI2021

Geant4Reweight: a framework for evaluating and propagating hadronic interaction uncertainties in Geant4

Geant4Reweight is an open-source C++ framework that allows users to weight tracks produced by the Geant4 particle transport Monte Carlo simulation according to hadron interaction cross section variations and estimate uncertainties in Geant4 interaction models by comparing the simulation’s hadron interaction cross section predictions to data. The ability to weight hadron transport as simulated by Geant4 is crucial to the propagation of systematic uncertainties related to secondary hadronic interactions in current and upcoming neutrino oscillation experiments, including MicroBooNE, NOvA, and DUNE, aswell as hadron test beam experiments such as ProtoDUNE. Here, we provide motivation for weighting hadron tracks in Geant4 in the context of systematic uncertainty propagation, a description of Geant4’s transport simulation technique, and a description of our weighting technique and fitting framework in the momentum range 0–10 GeV/c, which is typical for the hadrons produced by neutrino interactions in these experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Power System Resilience Evaluation Framework and Metric Review

Power system resilience has been an emerging hot topic in recent years to investigate the increasing threats of extreme events, such as natural disasters, severe weather, and cyberattacks. Although much research has been done to define, model, and quantify resilience from different aspects, the lack of universally accepted evaluation methods and resilience metrics makes it difficult to assess and compare resilience across different power systems, such as what is typically done in power system reliability studies. In this paper, first, we review the definitions of resilience, and we summarize two core concepts shared by most of the literature. Then, we develop a new framework to assess power system resilience from two perspectives - i.e., pre-event estimation and post-event evaluation - to capture system resilience performance in both general and specific fashions. We conduct a thorough review of existing resilience metrics and categorize them using the proposed framework, where recommendations are also proposed to capture core concepts of resilience.

power system resilience↗
DOE OSTI2018

Synthesis, characterization, and luminescent properties of two new Zr(IV) metal–organic frameworks based on anthracene derivatives

Metal–organic frameworks (MOFs) are crystalline materials constructed from metal ions or clusters, connected by multidentate organic ligands. Herein, we describe the synthesis and photophysical properties of two Zr-based, anthracene-containing MOFs, assembled from 2,6-anthracenedicarboxylic acid (2,6-ADCA and 2,6-MOF) and 1,4-anthracenedicarboxylic acid (1,4-ADCA and 1,4-MOF). The 2,6-ADCA analogue formed a highly crystalline octahedral structure that is isostructural with the well-known UiO-67 frameworks. Incorporation of the 1,4-ADCA ligand, on the other hand, resulted in large rod-shaped crystals. Both MOFs exhibit linker-based luminescence. The excited-state properties of the 2,6-MOF and 1,4-MOF were examined using stead-state diffuse reflectance and emission spectroscopies and time-correlated single photon counting (TCSPC) spectroscopy. The photophysical properties of the MOFs are compared with those of the corresponding ligand in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

SpecSims: A Scalable Speculative Tree-based Simulation Cloning Framework for Finite Memory Machines

Simulation cloning is a technique in which cloned simulations whose state spaces differ partially from their parent simulation due to intervening events are spawned at runtime and concurrently advanced. It is a powerful method to carry out what-if analysis by speculatively exploring and evaluating the impact of various permutations of intervening cascade of events. Due to the exponential growth in the number of possible clones even for a small number of distinct intervening events, the practical efficacy of the approach is often severely limited by the maximum available memory of the computing host. In this paper, we introduce a novel speculative simulation cloning framework that executes a simulation cloning campaign capable of efficiently exploring an exponentially large space of clone simulations created by permutation of intervening events under a finite memory constraint. We provide a theoretical analysis of the runtime characteristics of our proposed approach and highlight its novel advantages such as memory-aware and as-long-as-needed execution. Furthermore, in support of our analytical findings and to demonstrate its practical feasibility, we implement a prototype of the cloning framework on a shared memory system and report its performance characteristics in the context of a heat diffusion simulation, and a power grid simulation subject to cascading disruptions from geomagnetic disturbances.

Simulation framework↗
DOE OSTI2017

Z-checker: A framework for assessing lossy compression of scientific data

Because of the vast volume of data being produced by today’s scientific simulations and experiments, lossy data compressor allowing user-controlled loss of accuracy during the compression is a relevant solution for significantly reducing the data size. However, lossy compressor developers and users are missing a tool to explore the features of scientific data sets and understand the data alteration after compression in a systematic and reliable way. To address this gap, we have designed and implemented a generic framework called Z-checker. On the one hand, Z-checker combines a battery of data analysis components for data compression. On the other hand, Z-checker is implemented as an open-source community tool to which users and developers can contribute and add new analysis components based on their additional analysis demands. In this article, we present a survey of existing lossy compressors. Then, we describe the design framework of Z-checker, in which we integrated evaluation metrics proposed in prior work as well as other analysis tools. Specifically, for lossy compressor developers, Z-checker can be used to characterize critical properties (such as entropy, distribution, power spectrum, principal component analysis, and autocorrelation) of any data set to improve compression strategies. For lossy compression users, Z-checker can detect the compression quality (compression ratio and bit rate) and provide various global distortion analysis comparing the original data with the decompressed data (peak signal-to-noise ratio, normalized mean squared error, rate–distortion, rate-compression error, spectral, distribution, and derivatives) and statistical analysis of the compression error (maximum, minimum, and average error; autocorrelation; and distribution of errors). Z-checker can perform the analysis with either coarse granularity (throughout the whole data set) or fine granularity (by user-defined blocks), such that the users and developers can select the best fit, adaptive compressors for different parts of the data set. Z-checker features a visualization interface displaying all analysis results in addition to some basic views of the data sets such as time series. To the best of our knowledge, Z-checker is the first tool designed to assess lossy compression comprehensively for scientific data sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Quality Assurance Framework for Mini-Grids

Providing clean and affordable energy services to the more than 1 billion people globally who lack access to electricity is a critical driver for poverty reduction, economic development, improved health, and social outcomes. More than 84% of populations without electricity are located in rural areas where traditional grid extension may not be cost-effective; therefore, distributed energy solutions such as mini-grids are critical. To address some of the root challenges of providing safe, quality, and financially viable mini-grid power systems to remote customers, the U.S. Department of Energy (DOE) teamed with the National Renewable Energy Laboratory (NREL) to develop a Quality Assurance Framework (QAF) for isolated mini-grids. The QAF for mini-grids aims to address some root challenges of providing safe, quality, and affordable power to remote customers via financially viable mini-grids through two key components: (1) Levels of service: Defines a standard set of tiers of end-user service and links them to technical parameters of power quality, power availability, and power reliability. These levels of service span the entire energy ladder, from basic energy service to high-quality, high-reliability, and high-availability service (often considered 'grid parity'); (2) Accountability and performance reporting framework: Provides a clear process of validating power delivery by providing trusted information to customers, funders, and/or regulators. The performance reporting protocol can also serve as a robust monitoring and evaluation tool for mini-grid operators and funding organizations. The QAF will provide a flexible alternative to rigid top-down standards for mini-grids in energy access contexts, outlining tiers of end-user service and linking them to relevant technical parameters. In addition, data generated through implementation of the QAF will provide the foundation for comparisons across projects, assessment of impacts, and greater confidence that will drive investment and scale-up in this sector. The QAF implementation process also defines a set of implementation guidelines that help the deployment of mini-grids on a regional or national scale, helping to insure successful rapid deployment of these relatively new remote energy options. Note that the QAF is technology agnostic, addressing both alternating current (AC) and direct current (DC) mini-grids, and is also applicable to renewable, fossil-fuel, and hybrid systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Super Metalated Frameworks as Hydrogen Sponges

The most promising strategy towards the development of practical on-board hydrogen fuel cells for light-duty-vehicles is the application of materials that store hydrogen via physisorption. Such materials require high hydrogen storage capacities and stabilities. Metal-Organic Frameworks (MOFs) are crystalline porous materials comprised of metal clusters linked by organic struts where each component can be systematically altered or functionalized. This tunability coupled with their highly porous nature make MOFs ideal candidates for gas storage applications. The state-of-the-art MOF based absorbent (MOF-74 analogue) utilizes coordinatively unsaturated metal sites (open metal sites) which exhibit strong interactions with H 2 (Qst = 13 KJ/mol) producing the record figure of merit (12 g/L and 0.9 wt% at 25 ºC 100 bar) [3]. However, these values remain below the DOE 2025 target for hydrogen storage. To increase the interaction strength between the framework and H 2 , we have prepared a highly porous, functionalizable MOF (Mg-IRMOF-74-III). The organic linker of this MOF was functionalized with primary amines that were used to install metal-binding ligands for subsequent metalation. The newly installed open metal sites have slightly improved H 2 storage capacity at 77 K via weak interactions. However, the primary amines of the organic linkers have lead to a dramatic decrease in the H 2 capacity due to the interaction of the amines with the open metal-sites of the inorganic nodes. The conclusions of the present project pave the way for design of supermetalated crystalline materials for hydrogen storage to meet the DOE 2025 target in the future

08 HYDROGEN↗
DOE OSTI2016

Architectural Basis for Highly Distributed Transactive Power Grids: Frameworks, Networks, and Grid Codes

This paper provides an architectural framework for highly distributed Transactive Energy grids. This framework guides the engineering of transactive distribution systems, informs the necessary interoperability standards, and fills in the gap in the ability of electric distribution utilities to write the Grid Codes that define how prosumer and third party devices plug into such a grid. With this architecture, a major hurdle to Transactive Grid deployment is resolved.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Policy Framework to Improve Mobility Efficiency and Electrify Transportation in Tonga

The Kingdom of Tonga, like many small island developing states, is heavily dependent on imported fossil fuels to meet its current energy needs, especially for transportation. The Kingdom has requested a policy framework that benefits its land transportation sector by saving cost and time, increasing resilience, and reducing petroleum and greenhouse gas (GHG) emissions. This framework was developed by building on past work, namely the Tonga Energy Efficiency Master Plan 2020-2030 (TEEMP), the Tonga Energy Road Map 2021-2035 (TERMPLUS), and the Regional Electric Mobility Policy for Pacific Island Countries and Territories developed by the Pacific Centre for Renewable Energy and Energy Efficiency (PCREEE). The strengths, weaknesses, opportunities, and threats to Tonga's land transportation system were identified at stakeholder working group meetings in Tonga in June 2023. A set of appropriate policies that have been effective in relevant jurisdictions were then discussed and refined by the working group. The resulting 27 policies are defined according to intended outcomes, relationship to other proposed policies, applications in other relevant jurisdictions, hurdles to implementation, resilience impact, equity impact, and government revenue impact. Some of the policies are also accompanied by implementation recommendations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Virtual Resource Management Framework (CRADA Final Report)

There is a need for advanced and widespread business automation within the nuclear industry to drive down operational costs while sustaining or improving safe operations. While there are many business process automation platforms commercially available, the difficulty is that business processes typically rely on a mixture of resource types to accomplish the desired activities and there is no universal software framework virtualizing diverse resource types for the purpose of automation. In this context, we are referring to any capability, physical or intangible, that can be used by an organization to achieve its objectives as a resource. To deploy business automation broadly and enable integrated operations for nuclear (ION), a framework is needed to represent all resource types and their associated disparate data within a plant and to enable seamless flow of resource information to the technologies used for process automation and resource optimization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

User Guide to the Facility Cybersecurity Framework Internet of Things (IoT) Self-Assessment

The FEMP Facility Cybersecurity Framework (FCF) Internet of Things (IoT) Self-Assessment is a comprehensive tool aimed at illuminating the foggy domains of IoT and Industrial Internet of Things (IIoT) security. The assessment was developed using insights from recognized standards and guidelines to identify, address, and mitigate the challenges posed by the massive surge of interconnected devices. The FCF IoT Self-Assessment was created using the knowledge from established National Institute of Standards and Technology (NIST) publications such as NIST SP 800-53, NIST SP 800-213, and NIST Cybersecurity Framework (CSF). Additionally, integrating NIST SP 800-213A IoT Device Cybersecurity Guidance for the Federal Government ensures federal agencies are equipped with specific IoT security insights. This user guide has been developed to facilitate a thorough understanding of the tool. As users delve into the assessment, the guide offers a clear navigation walkthrough, report generation, and interpretation of the report.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Life Cycle Analysis Framework for Point Source Capture Systems

NETL studies the costs and benefits of PSC for electricity, industry, and mobile applications. Mobile point source capture (MPSC) and storage applied to freight modes captures emissions directly from exhaust. This poster presents a framework for conducting LCA of PSC systems applied to heavy-duty trucks, freight trains, and marine vessels. The framework defines a wheels-to-storage (gate-to-grave) boundary, including energy demands (electricity, heat, and cooling requirements), solvent use and cycling, onboard system components, carbon storage in a saline aquifer, and upstream manufacturing impacts for equipment, with a suggested functional unit of 1 tonne-km. Potential data sources for analysis include material, energy, and operational data from Oak Ridge National Laboratory, GREET (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model, and scientific literature. The suggested analytical approach includes comparison to publicly available business-as-usual systems without capture across all modes of transportation, sensitivity to composition of the capture solvent, and sensitivity to capture rate variation, all of which would support a wholistic PSC business case analysis. For future consideration, analysis can be augmented with consideration of different sources of electricity (e.g., nuclear), fuel substitution, deploying supportive infrastructure such as pipeline offloading points, and downstream applications like enhanced oil recovery (EOR).

life cycle analysis (LCA)↗
DOE OSTI2026

Investigation of the Effect of Framework Flexibility on Adsorption in SIFSIX-3-Cu using a Machine-Learned Force Field

Metal-organic frameworks (MOFs) are a promising class of adsorbents. The performance of MOF sorbents relies on high selectivity and low regeneration energy. This work focuses on the use of machine learned force fields (MLFFs) to model adsorption in a flexible MOF, SIFSIX-3-Cu. A DeePMD-based MLFF was trained to reproduce DFT (PBE+D3) energies, forces, and stresses, using an iterative sampling scheme combining sampling based on molecular dynamics, Monte Carlo, and geometry optimization to capture both attractive and repulsive regions of the potential energy surface. Flexibility of the MOF was explicitly included in this model. Hybrid Monte Carlo/molecular dynamics (MC/MD) simulations using the MLFF predicted adsorption isotherms in good agreement with experimental data for a range of pressures (40 Pa – 104 Pa) in contrast to rigid models, which overpredict CO2 adsorption at low pressures. The improvement was the result of a description of the variability of fluorine-fluorine diagonal distances at adsorption sites. This detailed description of flexibility afforded by the MLFF resulted in more accurate predictions adsorption isotherms when compared to the experimentally measured values. These results underscore the importance of including framework flexibility when modeling adsorption phenomena in MOFs, particularly for low pressure applications and provide a robust procedure for training MLFF models for MOFs.

Atomistic Simulation↗
DOE OSTI2024

Probing ligand conformation and net dimensionality in a series of tetraphenylethene-based metal–organic frameworks

Tetraphenylethene-based ligands with lowered symmetry are promising building blocks for the construction of novel luminescent metal–organic frameworks (MOFs). However, few examples have been reported, and predicting the ligand conformation and the dimensionality of the resulting MOF remains challenging. In order to uncover how synthetic conditions and accessible ligand conformations may affect the resulting MOF structure, four new MOF structures were synthesized under solvothermal conditions using the meta-coordinated tetraphenylethene-based ligand m-ETTC and paddlewheel SBUs composed of Co(II), Cu(II), and Zn(II). WSU-10 (WSU = Washington State University) is formed with either Zn or Cu comprising stacked psuedo-2D layers. The dimensionality of WSU-10 can be intentionally increased through the addition of pyrazine as a pillar ligand into the synthesis, forming the 3D structure WSU-11. The third structure, WSU-20, is formed by the combination of Zn or Co with m-ETTC and is intrinsically 3D without the use of a pillar ligand; interestingly, this is the result of a distortion in the paddlewheel SBU. Finally, Cu was also found to form a new structure (WSU-12), which displays an m-ETTC conformation unique from that found in the other isolated MOFs. Structural features are compared across the series and a mechanistic relationship between WSU-10 and -20 is proposed, providing insight into the factors that can encourage the generation of frameworks with increased dimensionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Adapting the Technology Performance Level Integrated Assessment Framework to Low-TRL Technologies Within the Carbon Capture, Utilization, and Storage Industry, Part I

With the urgent need to mitigate climate change and rising global temperatures, technological solutions that reduce atmospheric CO 2 are an increasingly important part of the global solution. As a result, the nascent carbon capture, utilization, and storage (CCUS) industry is rapidly growing with a plethora of new technologies in many different sectors. There is a need to holistically evaluate these new technologies in a standardized and consistent manner to determine which technologies will be the most successful and competitive in the global marketplace to achieve decarbonization targets. Life cycle assessment (LCA) and techno-economic assessment (TEA) have been employed as rigorous methodologies for quantitatively measuring a technology's environmental impacts and techno-economic performance, respectively. However, these metrics evaluate a technology's performance in only three dimensions and do not directly incorporate stakeholder needs and values. In addition, technology developers frequently encounter trade-offs during design that increase one metric at the expense of the other. The technology performance level (TPL) combined indicator provides a comprehensive and holistic assessment of an emerging technology's potential, which is described by its techno-economic performance, environmental impacts, social impacts, safety considerations, market/deployability opportunities, use integration impacts, and general risks. TPL incorporates TEA and LCA outputs and quantifies the trade-offs between them directly using stakeholder feedback and requirements. In this article, the TPL methodology is being adapted from the marine energy domain to the CCUS domain. Adapted metrics and definitions, a stakeholder analysis, and a detailed foundation-based application of the systems engineering approach to CCUS are presented. The TPL assessment framework is couched within the internationally standardized LCA framework to improve technical rigor and acceptance. It is demonstrated how stakeholder needs and values can be directly incorporated, how LCA and TEA metrics can be balanced, and how other dimensions (listed earlier) can be integrated into a single metric that measures a technology's potential.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗