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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

hIPPYlib-MUQ: A Bayesian Inference Software Framework for Integration of Data with Complex Predictive Models under Uncertainty

Bayesian inference provides a systematic framework for integration of data with mathematical models to quantify the uncertainty in the solution of the inverse problem. However, the solution of Bayesian inverse problems governed by complex forward models described by partial differential equations (PDEs) remains prohibitive with black-box Markov chain Monte Carlo (MCMC) methods. We present hIPPYlib-MUQ, an extensible and scalable software framework that contains implementations of state-of-the art algorithms aimed to overcome the challenges of high-dimensional, PDE-constrained Bayesian inverse problems. These algorithms accelerate MCMC sampling by exploiting the geometry and intrinsic low-dimensionality of parameter space via derivative information and low rank approximation. The software integrates two complementary open-source software packages, hIPPYlib and MUQ. hIPPYlib solves PDE-constrained inverse problems using automatically-generated adjoint-based derivatives, but it lacks full Bayesian capabilities. MUQ provides a spectrum of powerful Bayesian inversion models and algorithms, but expects forward models to come equipped with gradients and Hessians to permit large-scale solution. By combining these two complementary libraries, we created a robust, scalable, and efficient software framework that realizes the benefits of each and allows us to tackle complex large-scale Bayesian inverse problems across a broad spectrum of scientific and engineering disciplines. To illustrate the capabilities of hIPPYlib-MUQ, we present a comparison of a number of MCMC methods available in the integrated software on several high-dimensional Bayesian inverse problems. These include problems characterized by both linear and nonlinear PDEs, various noise models, and different parameter dimensions. The results demonstrate that large (~ 50×) speedups over conventional black box and gradient-based MCMC algorithms can be obtained by exploiting Hessian information (from the log-posterior), underscoring the power of the integrated hIPPYlib-MUQ framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Tiling Framework for Heterogeneous Computing of Matrix based Tiled Algorithms

Tiling matrix operations can improve the load balancing and performance of applications on heterogeneous computing resources. Writing a tile-based algorithm for each operation with a traditional, hand-tuned tiling approach that uses for loops in C/C++ is cumbersome and error prone. Moreover, it must enable and support the heterogeneous memory management of data objects and also explore architecture-supported, native, tiled-data transfer APIs instead of copying the tiled data to continuous memory before the data transfer. The tiling framework provides a tiled data structure for heterogeneous memory mapping and parameterization to a heterogeneous task specification API. We have integrated our tiled framework into MatRIS (Math kernels library using IRIS). IRIS is a heterogeneous run-time framework with a heterogeneous programming model, memory model, and task execution model. Experiments reveal that the tiled framework for BLAS operations has improved the programmability of tiled BLAS and improved performance by ~20% when compared against the traditional method that copies the data to continuous memory locations for heterogeneous computing.

Miniskar, Narasinga Rao↗
DOE OSTI2023

Evaluation of Rail Decarbonization Alternatives: Framework and Application

The Northwestern University Freight Rail Infrastructure & Energy Network Decarbonization (NUFRIEND) framework is a comprehensive industry-oriented tool for simulating the deployment of new energy technologies including biofuels, e-fuels, battery-electric, and hydrogen locomotives. By classifying fuel types into two categories based on deployment requirements, the associated optimal charging/fueling facility location and sizing problem are solved with a five-step framework. Life-cycle analysis (LCA) and techno-economic analysis (TEA) are used to estimate carbon reduction, capital investments, cost of carbon reduction, and operational impacts, enabling sensitivity analysis with operational and technological parameters. Here, the framework is illustrated on lower-carbon drop-in fuels as well as battery-electric technology deployments for the US Eastern and Western Class I railroad networks. Drop-in fuel deployments are modeled as admixtures with diesel in existing locomotives, while battery-electric deployments are shown for varying technology penetration levels and locomotive ranges. When mixed in a 50% ratio with diesel, results show biodiesel’s capacity to reduce emissions at 36% with a cost of $\$$ 0.13 per kilogram of CO 2 reduced, while e-fuels offer a potential reduction of 50% of emissions at a cost of $\$$ 0.22 per kilogram of CO 2 reduced. Battery-electric results for 50% deployment over all ton-miles highlight the value of future innovations in battery energy densities as scenarios assuming 800-mi range locomotives show an estimated emissions reduction of 46% with a cost of $\$$ 0.06 per kilogram of CO 2 reduced, compared with 16% emissions reduction at a cost of $\$$ 0.11 per kilogram of CO 2 reduced for 400-mi range locomotives. The NUFRIEND framework provides a systematic method for comparing different alternative energy technologies and identifying potential challenges and benefits in their future deployments.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

The Exascale Framework for High Fidelity coupled Simulations (EFFIS): Enabling whole device modeling in fusion science

We present the Exascale Framework for High Fidelity coupled Simulations (EFFIS), a workflow and code coupling framework developed as part of the Whole Device Modeling Application (WDMApp) in the Exascale Computing Project. EFFIS consists of a library, command line utilities, and a collection of run-time daemons. Together, these software products enable users to easily compose and execute workflows that include: strong or weak coupling, in situ (or offline) analysis/visualization/monitoring, command-and-control actions, remote dashboard integration, and more. We describe WDMApp physics coupling cases and computer science requirements that motivate the design of the EFFIS framework. Furthermore, we explain the essential enabling technology that EFFIS leverages: ADIOS for performant data movement, PerfStubs/TAU for performance monitoring, and an advanced COUPLER for transforming coupling data from its native format to the representation needed by another application. Finally, we demonstrate EFFIS using coupled multi-simulation WDMApp workflows and exemplify how the framework supports the project’s needs. We show that EFFIS and its associated services for data movement, visualization, and performance collection does not introduce appreciable overhead to the WDMApp workflow and that the resource-dominant application’s idle time while waiting for data is minimal.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A deep learning-enhanced framework for multiphysics joint inversion

Joint inversion has drawn considerable attention due to the availability of multiple geophysical data sets, ever-increasing computational resources, the development of advanced algorithms, and its ability to reduce inversion uncertainty. A key issue of joint inversion is to develop effective strategies to link different geophysical data in a unified mathematical framework, in which the information obtained from different models can complement each other. We have developed a deep learning-enhanced joint inversion framework to simultaneously reconstruct different physical models by fusing different types of geophysical data. Traditionally, structure similarity constraints are pursued by joint inversion algorithms using manually crafted formulations (e.g., cross gradient). The constraint is constructed by a deep neural network (DNN) during the learning process. The framework is designed to combine the DNN and a traditional independent inversion workflow and improve the joint inversion result iteratively. The network can be easily extended to incorporate multiphysics without structural changes. Numerical experiments on the joint inversion of 2D DC resistivity data and seismic traveltime are used to validate our method. In addition, this learning-based framework demonstrates excellent generalization abilities when tested on data sets using different geologic structures. It also can handle different sensing configurations and nonconforming discretization.

Geochemistry & Geophysics↗
DOE OSTI2021

OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations

We present OpenAWSEM and Open3SPN2, new cross-compatible implementations of coarse-grained models for protein (AWSEM) and DNA (3SPN2) molecular dynamics simulations within the OpenMM framework. These new implementations retain the chemical accuracy and intrinsic efficiency of the original models while adding GPU acceleration and the ease of forcefield modification provided by OpenMM’s Custom Forces software framework. By utilizing GPUs, we achieve around a 30-fold speedup in protein and protein-DNA simulations over the existing LAMMPS-based implementations running on a single CPU core. We showcase the benefits of OpenMM’s Custom Forces framework by devising and implementing two new potentials that allow us to address important aspects of protein folding and structure prediction and by testing the ability of the combined OpenAWSEM and Open3SPN2 to model protein-DNA binding. The first potential is used to describe the changes in effective interactions that occur as a protein becomes partially buried in a membrane. We also introduced an interaction to describe proteins with multiple disulfide bonds. Using simple pairwise disulfide bonding terms results in unphysical clustering of cysteine residues, posing a problem when simulating the folding of proteins with many cysteines. We now can computationally reproduce Anfinsen’s early Nobel prize winning experiments by using OpenMM’s Custom Forces framework to introduce a multi-body disulfide bonding term that prevents unphysical clustering. Our protein-DNA simulations show that the binding landscape is funneled towards structures that are quite similar to those found using experiments. In summary, this paper provides a simulation tool for the molecular biophysics community that is both easy to use and sufficiently efficient to simulate large proteins and large protein-DNA systems that are central to many cellular processes. These codes should facilitate the interplay between molecular simulations and cellular studies, which have been hampered by the large mismatch between the time and length scales accessible to molecular simulations and those relevant to cell biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

NGEE Arctic Phase 4 Plant Functional Type Framework for Pan-Arctic Vegetation

The NGEE-Arctic research team identified a common set of hierarchical plant functional types (PFTs) for pan-arctic vegetation that we will use across our research activities. Interdisciplinary work within a large team requires agreement regarding levels of functional organization so that knowledge, data, and technologies can be shared and combined effectively. The team has identified plant functional types as a crucial area where such interoperability is needed. PFTs are used to represent plant pools and fluxes within models, summarize observational data, and map vegetation across the landscape. Within each of these applications, varying levels of PFT specificity are needed according to the specific scientific research goal, computational limitations, and data availability. By agreeing on a specific hierarchical framework for grouping variables in our vegetation data, we ensure the resulting research products will be robust, flexible, and scalable. In this document, we lay out the agreed upon PFT framework with definitions and references to existing literature. Table 1 included in the "NGA700_Phase4PFTFramework_about*" file outlines the relationship between NGEE-Arctic Phase 4, Tier 1 PFTs and the PFTs used within prominent arctic literature as well as publications by the NGEE-Arctic team during phases 1-3.This dataset consists of a table detailing a hierarchical PFT framework that spans 4 tiers with the most granular PFTs listed in tier 1 and the most general PFTs in tier 4. The PFTs within each tier has a single column in the dataset where the PFTs are named and a separate column where the characteristics used to define that PFT are listed. Grey fill of the cells is used to indicate where a given PFT starts to “lose” tier 1 details as you look from left to right. Note the excel file has merged cells to indicate grouping of PFTs across the Tiers- it will not translate into a delimited filetype (.csv, .txt, etc) without modification thus the hierarchical PFT framework table is available in three different file formats: 1) NGA700_Phase4PTS.xlsx – maintains the merged cells and grey fill; 2) NGA700_Phase4PTS.csv – merged cells are split, and grey fill is removed; 3) NGA700_Phase4PTS.pdf – image of the table with merged cells and grey fill. Metadata document included as a *.pdf and file-level metadata and data dictionary as *.csv files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Twinac: initiation of a community-driven accelerator digital twin framework

We present the initiation of a community-driven framework for the integration of accelerator digital twins into control systems: Twinac. Few facilities have fully integrated accelerator digital twins like at Cornell’s CHESS. Many facilities have active research to employ surrogate models to aid in operational decisions like at Argonne’s ALS, MSU’s FRIB, SLAC’s LCLS-II, and Fermilab’s FAST/IOTA, PIP-II, and main complex. To lower the barrier to entry for all accelerator facilities to build and benefit from a digital twin of their own accelerators, we propose the following software framework. Twinac will provide the capability to compose one’s own digital twin using reusable components engineered at other facilities. With this model in place, Twinac will also support tools for (1) predictive maintenance systems; (2) discovery of correlated but uncontrolled environmental factors, like seasonal temperature variations causing performance changes on power supplies, magnets, etc.; and (3) prototyping and updating sophisticated optimization and controls algorithms. The Twinac framework will enable sharing and simplified deployment of modeled components and control algorithms at all facilities. With an inter-facility team to build and support the Twinac framework, it will be easy to publish and try out the latest advancements at one’s own facility.

Miceli, Tia [Fermilab]↗
DOE OSTI2020

Distributed Energy Resource Cybersecurity Framework Best Practices

Current cybersecurity challenges for distributed energy resources (DERs) stem from the integration of various systems and the cyber-physical security concerns they bring. Although frameworks exist for industrial control systems and other energy systems, a simple guided tool that can prioritize recommended actions for controls specific to DERs is lacking. Additionally, the novelty of the field has made it difficult to create a standardized procedure for DERs with cybersecurity in mind. In response to this critical need to address cybersecurity risk management, the National Renewable Energy Laboratory (NREL) has developed a framework and accompanying web application known as the Distributed Energy Resources Cybersecurity Framework (DERCF) (Powell, 2019). A brief overview of the DERCF can be found in Section 1.2. This document provides a guide to cybersecurity best practices identified by technical research and site visits where the framework was used to assess the cybersecurity posture of DER systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

CReST-VCT System Integration Framework

In this paper, we propose a system integration framework for deploying the Coordinated Real-time Sub-Transmission Volt-var Control Tool (CReST VCT) functionality between the transmission system, the distribution system, and DERs. This represents one possible set of design choices to implement the coordinated optimization capabilities in an operating environment. The framework provides the following: An architectural reference model that describes how the CReST VCT solution maps into a broader grid architecture that accommodates and enables higher levels of DER penetration and utilization: A system integration reference model that defines a possible allocation of CReST VCT functionality within a utility’s operational environment. This includes one possible system design approach for allocation of functionality within software and protocol selections across the various interfaces; A list of potential performance and security issues that should be considered during an implementation. This framework does not represent a specific implementation of the CReST VCT algorithm or integration into a specific utility environment. It is intended to serve as a reference for those who plan to implement such a solution into their environment. The general model provided by the framework can be tailored to a specific environment based on its specific constraints and requirements.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

The Always/Never Safety Framework for Satellite Rendezvous and Proximity Operations and On-Orbit Servicing

Space rendezvous and proximity operations are increasing in numbers, enabling inspections, diagnostics, and maintenance of on-orbit systems. Because collision, loss of control, and unintended damage can impact the system under examination -- and at the extreme, cause system break-up and space debris -- the safety practices for rendezvous and proximity operations can have significant implications for national security. This study examines the applicability of the Always/Never surety framework, which was developed for United States nuclear weapons, as a model safety basis for unmanned space proximity operations. This unclassified framework has understandable safety approaches and principles and focuses on a system being always safenever unsafe. The authors consider that the adapting the framework might present a means for standardization across government and commerce, encouraging a consistent approach and a set of clarifying safety principles and applications for rendezvous and proximity operations. The framework also offers a consistent taxonomy, presents safety and reliability requirements organized by four environment categories, defines accident or abnormal conditions, contributes a strategy for identifying hostile and tactical environments, and enables decision-making for determining if conditions are safe for proximity space operations.

42 ENGINEERING↗
DOE OSTI2020

A Conceptual Framework to Describe Energy Efficiency and Demand Response Interactions

Energy efficiency (EE) and demand response (DR) resources provide important utility system and ratepayer benefits. At the same time, the rapid change in the amount and type of variable renewable energy, like solar and wind, is reshaping the role and economic value of EE and DR, and will likely affect time-dependent valuation of EE and DR measures. Utilities are increasingly interested in integrating EE and DR measures and technologies (as well as other distributed energy resources) as a strategic approach to improve their collective cost-effectiveness and performance. However, the specific EE and DR features that may be best integrated, the interplay between changing EE and DR resource potential, and the resulting utility system impacts, are not well understood. We develop a framework to identify the EE and DR attributes, system conditions, and technological factors that are likely to drive interactions between EE and DR. We apply the framework to example measures with different technology specifics (e.g., presence of controls, building type, and targeted end use) in the context of different system conditions (e.g., peak demand, load-building periods during high renewable generation output). Ultimately, the framework defines EE and DR interactions not only by the change in discretionary load (i.e., DR potential) but also by the change in likelihood of participation in EE and DR programs—as well as the change in system need for, and the overall availability of, EE and DR resources. The framework is intended to improve the integration of EE and DR in utility operational and planning activities.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Preparing Distribution Utilities for Utility-Scale Storage and Electric Vehicles: A Novel Analytical Framework

Emerging distributed energy resources (DERs)—such as solar photovoltaics (PV), battery energy storage systems (BESS), and electric vehicles (EVs)—are expected to increase substantially in India in the coming years following policy-driven targets of the Government of India to modernize its electricity system, reduce greenhouse gas emissions (GHGs), and improve air quality. These emerging technologies can pose challenges to distribution utilities, forcing overhauls in planning and operational practices. They can also create challenges in power system infrastructure planning and cause more frequent system operational violations (e.g., network voltage bounds and loading thresholds) if not properly integrated. The impacts on the localized power distribution grid from these emerging technologies manifest in increased infrastructure investments and erratic shifts in demand patterns. These impacts are not yet well understood, and analytic solutions are not readily available. To address these challenges, the National Renewable Energy Laboratory (NREL), in collaboration with BSES Rajdhani Power Ltd. (BRPL), developed an advanced power distribution system impact analysis framework of BRPL’s distribution system. This framework helps analyze the readiness of the power distribution network to accommodate emerging technologies and the potential opportunities they might introduce. The framework has been predominantly set up to evaluate distributed PV, BESS, and EVs. In this collaboration between NREL and BRPL, we developed and evaluated the framework on two distribution feeders in the BRPL territory for various scenarios of BESS and EVs. BESS are evaluated for their effectiveness on the grid to mitigate present and future feeder overloading scenarios, and they are subsequently analyzed for their costs compared to the costs of traditional upgradation measures. Scenarios include assessing the effects of EV density on grid infrastructure upgrades and interlinking EV management with BESS integration.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

A Multi-Instance learning Framework for Seismic Detectors

In this report, we construct and test a framework for fusing the predictions of a ensemble of seismic wave detectors. The framework is drawn from multi-instance learning and is meant to improve the predictive skill of the ensemble beyond that of the individual detectors. We show how the framework allows the use of multiple features derived from the seismogram to detect seismic wave arrivals, as well as how it allows only the most informative features to be retained in the ensemble. The computational cost of the "ensembling" method is linear in the size of the ensemble, allowing a scalable method for monitoring multiple features/transformations of a seismogram. The framework is tested on teleseismic and regional p-wave arrivals at the IMS (International Monitoring System) station in Warramunga, NT, Australia and the PNSU station in University of Utah's monitoring network.

58 GEOSCIENCES↗
DOE OSTI2022

Integration of Electric Power Infrastructure into the Drinking Water Shared Risk Framework: Prototype Development

An existing shared risk framework designed for assessing and comparing threat-based risks to water utilities is being extended to incorporate electric power. An important differentiating characteristic of this framework is the use of a system-centric rather than an asset-centric approach. This approach allows anonymous sharing of results and enables comparison of assessments across different utilities within an infrastructure sector. By allowing utility owners to compare their assessments with others, they can improve their self-assessments and identification of "unknown unknowns". This document provides an approach for extension of the framework to electric power, including treatment of dependencies and interdependencies. The systems, threats, and mathematical description of associated risks used in a prototype framework are provided. The method is extensible so that additional infrastructure sectors can be incorporated. Preliminary results for a proof of concept calculation are provided.

42 ENGINEERING↗
DOE OSTI2022

Case Study: Applying the Idaho National Laboratory Resilience Framework to St. Mary’s, Alaska

The Idaho National Laboratory (INL) resilience framework has been developed to broadly apply to EEDS so that all elements of systems that contain distributed wind can be part of the resilience evaluation. The users or audience for this framework can include any stakeholders associated with the EEDS. Not all electrical energy systems have the same stakeholders; customers, owners, and operators are generally present but have different interests. Considering the broad electrical grid, customers, regulators, investors, utility planners, engineers, and operators each have an interest in system resilience driven from different motivating factors. This document focuses on the planning stage of the framework. In this document, each step is explained briefly before demonstrating its application to the St. Mary’s-Mt. Village system. The framework can be used for many types of resilience planning. It can be used to evaluate current overall resilience, or the resilience of certain subsystems. It can be used to explore existing resilience weak points and propose mitigations. It can also be used to evaluate the resilience benefits of a new investment. We use the latter application for this case study. Although the wind turbine in St. Mary’s has already been installed, the resilience benefits that the turbine provided were not well defined. It was installed with the main objective to generate electric power from a renewable resource in an effort to reduce the local dependency on fuel oil as the sole source of electric power generation, which is a resilience goal on its own, but there are other ways in which the turbine can add resilience to the system, as well as scenarios of interest to analyze how resilient the wind turbine itself is against different hazards. In this case study, we analyze the operation of the St. Mary’s power system both with the wind installed and without the wind installed during different resilience hazards of interest. This allows us to compare the performance with wind and without wind and to quantify the resilience benefits provided by wind. Our MIRACL partners at PNNL will then take the resilience benefits and assign value to the resilience provided by wind based on costs and costs avoided in the different scenarios.

17 WIND ENERGY↗
DOE OSTI2022

Oak Ridge National Laboratory Pilot Demonstration of an Attestation and Anomaly Detection Framework using Distributed Ledger Technology for Power Grid Infrastructure

This report summarizes the design and pilot demonstration of a framework called Grid Guard that was created to provide increased data and device trustworthiness to electric grid devices by leveraging distributed ledger technology (DLT), specifically blockchain. Grid Guard contains a combination of core cryptographic methods such as the secure hash algorithm (SHA), and asymmetric cryptography, private permissioned blockchain, baselining configuration data, consensus algorithm (Raft) and the Hyperledger Fabric (HLF) framework. The system implements a low energy, fast, and robust enhancement to system trustworthiness within and across electric grid systems such as substations, control centers and metering infrastructures. Blockchain is a distributed database structured that provides a practically unalterable (immutable) timeline of stored transactions. By relying on hashing and the Raft consensus algorithm, if an entity tries to illegitimately alter a record at one instance of the database the other ledger nodes are not altered. They work to cross-reference each other and easily locate any incorrectly added data and remove it. The bulk raw data is stored in an off-chain storage (outside of the blockchain ledger) and a hash of this baseline data is stored in the Blockchain ledger via hashing windows of time-series and configuration data, after aggregation and filtering. The bulk off-chain data repository is then considered to be trust-anchored using the hashes stored in the blockchain. To secure the electric grid testbed devices and data, device configuration baselines were compared to those baselines that had been previously stored in the ledger. Statistical baselines for device configurations, network communication patterns, and high-speed sensor data are calculated and then stored off-chain and hashes stored in the ledger. Measurements such as three-phase voltage and current, frequency, breaker status, protection scheme settings, network configuration settings (and other device configuration artifacts) and network traffic features (packet interarrival times) are compared every minute or other selected time windows. During phase 1 of the Grid Guard DLT project different DLT technologies were studies, and an assessment was performed on DLT technology vulnerabilities, uses, and key characteristics. DLT consensus protocols were studies (e.g., RAFT, named after Reliable, Replicated, Redundant, And Fault-Tolerant). Also, cryptography, public, private and permissioned or permissionless systems were assessed. Grid Guard implements a permissioned private DLT. Consensus algorithm selection and choice of DLT implementation depended heavily on the use-case. For this use-case, parameters were selected to measure performance and existing tools for assessment. Benchmarking was performed theoretically and practically. During phase 2 hashed transactions/blocks were inserted into the ledger every second. During phase 2 of the Grid Guard DLT project, a prototype framework was developed and demonstrated for attestation of critical substation devices and data using precision timing systems that use PTP and IRIG-B protocols) on a testbed of operational devices that emulated a distribution substation, control center, and power metering infrastructure using real Operational Technology (OT). The testbed includes OT devices such as protective relays, human machine interfaces (HMI), and power meters. To determine when to collect and compare system and network baselines, an initial examination of an anomaly detection capability to identify malicious manipulation of data streams was conducted. The resulting anomaly detection was demonstrated in a set of experiments and leveraged to trigger device artifact attestation checks. Attestation checks occur against device configuration baselines when compared with the immutable blockchain-stored baselines, which provided a cryptographically supported means by which to store baselines. The electrical substation-grid testbed was created to test the Grid Guard framework. The testbed emulates the operations of a portion of a power grid and SCADA systems as closely as possible. The testbed integrates real protocols, mainly IEC 61850 standard protocols, such as the Sampled Value (SV) and the GOOSE protocols. The testbed also supports DNP3 and other layer 2 and layer 3 protocols such as Telnet, SSH, SFTP/FTP and other proprietary protocols needed to connect to industrial control system equipment. The testbed emulates real power conditions using the OpalRT hardware-in-the-loop (HIL) device which can create fault situations that cannot be easily tested on real systems. The electrical substation-grid testbed was created using real measurement, communication, and protection devices that electrical utilities commonly use.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Fundamental studies of thermal and electrical transport in microporous metal-organic frameworks

In this work, we established porous metal-organic frameworks (MOFs) as designer conductors of electrons and ions relevant to fundamental research and technological applications. MOFs are porous, crystalline materials composed of organic linkers and inorganic nodes. While most MOFs are insulating with respect to ionic and electronic charge carriers, a number of exceptions have been reported in recent years. Electrically conductive MOFs are highly attractive for applications including electrical energy storage, chemiresistive sensing, and optoelectronics because of their high surface areas and tunable chemical properties. Ion-conducting MOFs are desirable for the synthetically tunable size, shape, and polarity of their pore environments, allowing for the tailored development of solid state electrolytes for metal-ion batteries. We developed systematic strategies for the design of MOFs that conduct ions and electrons. For each objective, we leveraged the versatile chemistry of these materials to obtain frameworks with targeted properties towards electronic or ionic charge carriers. We studied the factors that govern electrical transport in MOFs in order to gain fundamental knowledge of this emerging class of materials. We took several approaches to tackle this problem from multiple angles. Namely, we synthesized and characterized new frameworks, investigated post-synthetic modifications to enhance conductivity, and correlated theory and experiment to uncover new mechanistic findings. These results, which put forth new design principles for conductive MOFs, move the field toward one of the DOE Basic Energy Sciences Grand Challenges: to “design and perfect atom- and energy-efficient synthesis of revolutionary new forms of matter with tailored properties.” In addition to investigating the movement of electrons in MOFs, we also studied the movement of other charged species in MOFs, such as protons, lithium, and magnesium. Proton-conducting frameworks could be appealing materials for solid state electrolytes in fuel cells. In addition, they contain crystallographically defined proton-conducting channels, in contrast with state-of-the-art polymer membranes such as Nafion, which are amorphous. Controlling pore size and polarity in MOFs can thus shed light on proton and other ion transport mechanisms, ultimately enabling the design of more advanced electrolyte materials and potentially novel electrical energy storage materials.

36 MATERIALS SCIENCE↗