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DOE OSTI2022

Modeling Framework to Analyze Performance and Structural Reliability of Solid Oxide Electrolysis Cells

Solid oxide electrolysis cells (SOEC) have been receiving significant attention recently because of their high energy efficiency and fast hydrogen production. In this study a multi-physics model to simulate the SOEC performance and structural reliability of a state-of-the-art planar SOEC design was developed. The electrochemical reactions, fluid dynamics, species transport, electron transfer, and heat transfer were modeled in the commercial computational fluid dynamics (CFD) software STAR-CCM+. The thermomechanical analysis and the associated structural reliability evaluations were conducted using the commercial finite element analysis software ANSYS. The electrochemistry model was validated by using the experimentally obtained current-voltage (I-V) characteristics of the electrode-supported SOECs. The reliability analysis using a risk-of-rupture approach showed low failure probabilities under standard operating conditions considered in this study. For cells operated at voltages well above a thermoneutral voltage, the reliability evaluations indicated a potential risk of cell failure, but the damage was concentrated locally in specific areas of the cell which typically do not lead to total loss of cell function. The presented approach provides insights for evaluating representative cell and stack performances and structural reliability without intensive testing and for developing optimally performing and structurally reliable SOECs for efficient hydrogen generation.

25 ENERGY STORAGE↗

DOE OSTI2021

Toward a least-effort principle for evaluating prices of elements as indicators of sustainability

In this article, we explore simplifying mechanisms in materials economics for conceptionally organizing the flows of chemical elements into society. We use the concept of rank, which plays a crucial role in information theory where power laws are involved, and is a useful measure for seeking extremal principles. Borrowing from an analogy to Zipf’s law leads to a power-law relationship between abundance and rank that—pressing the Zipf’s law analogy further—may suggest that the price paid for elemental materials optimizes efficient utilization. Factors such as weight, volume, and moles in the earth's crust or in global mining production of elements are used in our analysis. For this research, 42 elements with price and production data for the year 2010 (a relatively typical year) were considered. We observe that the role of the volume from global mining production dominates in materials economics and indicate that elements such as Te and He should be sold at prices at leas ~ 100–1000 times more than their present price for efficient utilization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Strain Improvements that Keep Algae Ponds Growing Strong

A challenge for algal biofuel development is finding strains of algae best suited for producing copious amounts of oil quickly and under industrial-scale conditions. Furthermore, maintaining pond health is also challenging—deteriorating health in a small fraction of algal cells within a pond can quickly lead to the death of the entire pond’s population. To overcome these challenges, Los Alamos National Laboratory (LANL) scientist Christina Steadman and team designed a process to optimize algal physiology and metabolism in cultures by interrogating specific characteristics of the algae cells. This process uses flow cytometry methods and solves two problems: the LANL team can quickly detect potential pond problems, and use this process to streamline the screening of potential algae candidates for biofuel production.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Black-Box Neural System Identification and Differentiable Programming to Improve Earth System Model Predictions February

Focal Area(s): Focal Area 2: AI for predictive modeling, including AI-derived model components, and AI-enabled applications including parameter optimization, data assimilation, and uncertainty quantification. Focal Area 1: AI-assisted data assimilation using numerical Earth system models. Science Challenge: Earth system models have structural biases that lead to uncertain predictions, and their complexity and expense makes it difficult constraining the models with data or improved physical understanding.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Smart Composite Pressure Vessels (SCPV) with Integrated Health Monitoring

The U.S. Department of Energy (DOE) is promoting and developing more energy efficient and environmentally friendly technologies that will enable America to use less petroleum. Hydrogen fuel cells – which directly convert the chemical energy in hydrogen to electricity with only water and heat as byproducts – are a very attractive solution that can enable this to happen. To date, DOE's efforts have culminated in commercial demonstration of on-board vehicular hydrogen storage systems that can allow for a driving range of greater than 300 miles. This requires storing 5 Kgs of hydrogen onboard a light vehicle. In order to store this quantity of hydrogen, the hydrogen gas needs to be stored in a composite overwrapped pressure vessel (COPV) at a very high internal pressure. The objective of the program was to demonstrate continuous and predictable health-monitoring of composite pressure vessels. A higher confidence in the operational safety of the vessels will lead to reduced burst factor of safety imposed by regulatory standards and hence will help reduce the structural wall thickness that drives the cost of the vessel. Highly optimized Type III (metal lined) and Type IV (polymer lined) COPVs that are manufactured using filament winding process have been designed and qualified for the above mentioned application. However, the main structural component of the COPVs is carbon fiber and the high cost of carbon fiber composite in a pressure vessel is a primary challenge in reducing the cost of gaseous hydrogen storage. Continuous and remote monitoring of structural health of the COPVs as well as optimization of the strength translation of carbon fibers have the potential to allow for reduced factor of safety, thereby reduced amount of carbon and associated cost of the vessel. In the current program, the project team including Steelhead Composites (SHC), University of Tennessee, Knoxville (UTK), Teijin Carbon America, Oak Ridge National Laboratory (ORNL) and LUNA designed, fabricated, and tested smart composite pressure vessels with integrated sensors. Iterative loops of design and testing using coupons, subscale STEB vessels and full size vessels proved that a new generation of high performance carbon fiber can be used for efficient design of Type 3 vessels for H2 storage. Novel analysis techniques were developed to predict the initiation and propagation of interlaminar damage inside the composite shell due to impact damage, a real threat in practical operation. Such an analysis scheme is typically not used in tank design but is an essential tool for health monitoring of composite vessels. Remote sensing of the key signatures of the tank’s operating parameters such as pressure, acceleration and humidity was demonstrated using a unique device that can wirelessly transmit and stream the data to a remote server. Fiber optic sensors were successfully integrated during fabrication of the tanks. These sensors provide a wealth of information regarding the structural health of the vessel when it is subsequently pressurized or subjected to impact damage. Excellent correlation was demonstrated between the fiber optic sensor and mechanical strain gage data, and between the measurements and analytical predictions.

08 HYDROGEN↗

DOE OSTI2020

Status, Challenges, and Plans for Consistent Modeling and Evaluation of Fission Data: Nubar, PFNS, and FPY [Slides]

This presentation discusses the importance of consistent evaluations for fission observables. Currently, prompt fission quantities (e.g., neutron multiplicity, neutron energy spectrum, and fission product yields) are evaluated independently of one another, either with separate models or data-only/non-model evaluations (few – if any – shared model inputs) and inconsistencies can arise in evaluated data (e.g. NSE 190, 258 (2018)). They have found that consistent, model-based evaluations lead to more physical constraints on free parameters in the model, more robust predictions for other observables and other isotopes, that there are correlations between the uncertainties on different observables, and that uncertainties can be propagated to unmeasured quantities. They are working on developing models to the point where fission observables are calculated at the quality needed for an evaluation. They are striving to consistently calculate fission observables, such as $\bar{v}$, PFNS, and FPY, to a quality suitable for an evaluation. Current evaluations for fission observables use separate models for each observable (with minimal shared input) or are purely data driven. LANL models, such as the Monte Carlo CGMF and deterministic BeoH, have different strengths; the similar fission fragment initial conditions and decay models leads to consistency between the two codes (FPY can be connected to $\bar{v}$ and PFNS, even when calculated by different codes). Work is underway by Lovell to optimize the models and Neudecker is working to perform detailed uncertainty quantification. The PFNS, in particular, presents a significant challenge.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Data Visualization and Analytics for Optimal Process Parameter Selection in Turning

The objective of this project is to research physics-guided machine learning methods to recommend optimal tools and machining process parameters for turning applications using the MSC test database. For a given turning application, the MSC metalworking specialist needs to make decisions on tools and the associated process parameters for the MSC customer. For a given material, there are many alternatives for tools and a wide range of process parameters to consider. MSC has built a database of tools and parameters for different applications from the historical turning tests completed at various customer sites. The research project aims to use machine learning methods to predict optimal tools and process parameters for the MSC metalworking specialists using the MSC test database. This enables continuous learning of optimal tool and process parameters for different applications as new information is collected from testing. Through MSC, this information can be shared with machining shops across the US leading to improved productivity and efficiency.

42 ENGINEERING↗

DOE OSTI2025

Computational Algorithms for Unit Commitment with AC Power Flows (Final Report)

Security-constrained unit commitment (SCUC) is a key component in power system operations. When AC power flow constraints are considered in the SCUC model (AC-SCUC), the problem becomes extremely difficult due to its discrete and non-convex nature, as described in “Grid Optimization Competition Challenge 3 Problem Formulation (GOCC)”. There are four main challenges: (i) Discrete decisions regarding unit online/offline status and start-up/shut-down procedures for every single unit. The number of discrete decision variables increases considerably when a system integrates multiple generators; (ii) Configuration-based combined-cycle formulations, and multi-commodity models that include ramping products, spin/non-spin products, and regulation up/down products. The combined-cycle units introduce additional discrete decision variables and auxiliary service products further complicate the model by connecting multi-commodity products’ continuous and discrete variables; (iii) SCUC models with AC power flow constraints are far more complex due to massive bilinear terms in the large-scale nonlinear power balance equations. The nonlinear power balance equations are further complicated by the discrete step control variables of shunts; (iv) N − 1 contingency analysis. The size of the model increases linearly with the number of contingencies considered, greatly increasing the size of the optimization model. Accordingly, there is an emergent need to develop a robust algorithm capable of deriving a high-quality solution in a short time and passing through contingency tests simultaneously. In this project, we explore innovative techniques to address this challenging problem by integrating advanced polyhedral theory, approximation methods, relaxation strategies, decomposition techniques, and parallel computing. Each technique approaches the problem from a different perspective, leveraging its specific strengths to tackle distinct challenges. Each individual method has demonstrated its effectiveness in the PI’s previous research. Their integration is expected to significantly reduce the computational time required to solve the proposed complex problem. Successful completion of this project has the potential to transform the industry by enhancing optimization solvers capable of handling large-scale day-ahead energy market clearing models within strict time constraints, while incorporating AC power flow constraints. This advancement will lead to reduced overall generation costs and, consequently, increased social welfare.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Scale-up Unlearnable Examples Learning with High-performance Computing

Recent advancements in AI models, like ChatGPT, are structured to retain user interactions, which could inadvertently include sensitive healthcare data. In the healthcare field, particularly when radiologists use AI-driven diagnostic tools hosted on online platforms, there is a risk that medical imaging data may be repurposed for future AI training without explicit consent, spotlighting critical privacy and intellectual property concerns around healthcare data usage. Addressing these privacy challenges, a novel approach known as Unlearnable Examples (UEs) has been introduced, aiming to make data unlearnable to deep learning models. A prominent method within this area, called Unlearnable Clustering (UC), has shown improved UE performance with larger batch sizes but was previously limited by computational resources (e.g., a single workstation). To push the boundaries of UE performance with theoretically unlimited resources, we scaled up UC learning across various datasets using Distributed Data Parallel (DDP) training on the Summit supercomputer. Our goal was to examine UE efficacy at high-performance computing (HPC) levels to prevent unauthorized learning and enhance data security, particularly exploring the impact of batch size on UE’s unlearnability. Utilizing the robust computational capabilities of the Summit, extensive experiments were conducted on diverse datasets such as Pets, MedMNist, Flowers, and Flowers102. Our findings reveal that both overly large and overly small batch sizes can lead to performance instability and affect accuracy. However, the relationship between batch size and unlearnability varied across datasets, highlighting the necessity for tailored batch size strategies to achieve optimal data protection. The use of Summit’s high-performance GPUs, along with the efficiency of the DDP framework, facilitated rapid updates of model parameters and consistent training across nodes. Our results underscore the critical role of selecting appropriate batch sizes based on the specific characteristics of each dataset to prevent learning and ensure data security in deep learning applications. The source code is publicly available at https: // github. com/ hrlblab/ UE_ HPC .

Zhu, Yanfan [Vanderbilt University, Nashville, TN,↗

DOE OSTI2022

An overview of the operation architectures and energy management system for multiple microgrid clusters

The emerging novel energy infrastructures, such as energy communities, smart building-based microgrids, electric vehicles enabled mobile energy storage units raise the requirements for a more interconnective and interoperable energy system. It leads to a transition from simple and isolated microgrids to relatively large-scale and complex interconnected microgrid systems named multi-microgrid clusters. In order to efficiently, optimally, and flexibly control multi-microgrid clusters, cross-disciplinary technologies such as power electronics, control theory, optimization algorithms, information and communication technologies, cyber-physical, and big-data analysis are needed. This paper introduces an overview of the relevant aspects for multi-microgrids, including the outstanding features, architectures, typical applications, existing control mechanisms, as well as the challenges.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1979

Stochastic control and the second law of thermodynamics

The second law of thermodynamics is studied from the point of view of stochastic control theory. We find that the feedback control laws which are of interest are those which depend only on average values, and not on sample path behavior. We are lead to a criterion which, when satisfied, permits one to assign a temperature to a stochastic system in such a way as to have Carnot cycles be the optimal trajectories of optimal control problems. Entropy is also defined and we are able to prove an equipartition of energy theorem using this definition of temperature. Our formulation allows one to treat irreversibility in a quite natural and completely precise way.

Brockett, R. W.↗

NASA NTRS1994

Theory and computation of optimal low- and medium-thrust transfers

This report presents two numerical methods considered for the computation of fuel-optimal, low-thrust orbit transfers in large numbers of burns. The origins of these methods are observations made with the extremal solutions of transfers in small numbers of burns; there seems to exist a trend such that the longer the time allowed to perform an optimal transfer the less fuel that is used. These longer transfers are obviously of interest since they require a motor of low thrust; however, we also find a trend that the longer the time allowed to perform the optimal transfer the more burns are required to satisfy optimality. Unfortunately, this usually increases the difficulty of computation. Both of the methods described use small-numbered burn solutions to determine solutions in large numbers of burns. One method is a homotopy method that corrects for problems that arise when a solution requires a new burn or coast arc for optimality. The other method is to simply patch together long transfers from smaller ones. An orbit correction problem is solved to develop this method. This method may also lead to a good guidance law for transfer orbits with long transfer times.

Chuang, C.-H.↗

NASA NTRS2012

The Ground Flash Fraction Retrieval Algorithm Employing Differential Evolution: Simulations and Applications

The ability to estimate the fraction of ground flashes in a set of flashes observed by a satellite lightning imager, such as the future GOES-R Geostationary Lightning Mapper (GLM), would likely improve operational and scientific applications (e.g., severe weather warnings, lightning nitrogen oxides studies, and global electric circuit analyses). A Bayesian inversion method, called the Ground Flash Fraction Retrieval Algorithm (GoFFRA), was recently developed for estimating the ground flash fraction. The method uses a constrained mixed exponential distribution model to describe a particular lightning optical measurement called the Maximum Group Area (MGA). To obtain the optimum model parameters (one of which is the desired ground flash fraction), a scalar function must be minimized. This minimization is difficult because of two problems: (1) Label Switching (LS), and (2) Parameter Identity Theft (PIT). The LS problem is well known in the literature on mixed exponential distributions, and the PIT problem was discovered in this study. Each problem occurs when one allows the numerical minimizer to freely roam through the parameter search space; this allows certain solution parameters to interchange roles which leads to fundamental ambiguities, and solution error. A major accomplishment of this study is that we have employed a state-of-the-art genetic-based global optimization algorithm called Differential Evolution (DE) that constrains the parameter search in such a way as to remove both the LS and PIT problems. To test the performance of the GoFFRA when DE is employed, we applied it to analyze simulated MGA datasets that we generated from known mixed exponential distributions. Moreover, we evaluated the GoFFRA/DE method by applying it to analyze actual MGAs derived from low-Earth orbiting lightning imaging sensor data; the actual MGA data were classified as either ground or cloud flash MGAs using National Lightning Detection Network[TM] (NLDN) data. Solution error plots are provided for both the simulations and actual data analyses.

Koshak, William↗

NASA NTRS2018

Physiological and Cognitive Exploration Simulation: Assessments of Physiology and Cognition in Hybrid Environment: A Novel Approach to Optimize the Future of Spacewalk Simulations

As NASA plans to return to the Moon in the 2020's, with missions to Mars in the 2030's, extravehicular activities (EVAs)must be optimized due to the inherent 4-22 minute communication latency from Earth to Mars. Certain control functions previously executed by Mission Control must now be performed by astronauts, leading to a new operational paradigm or the future of mission operations. Consequently, future mission explorations will be more physically and cognitively demanding on both EV and IV personnel.

Ulman, H.↗

NASA NTRS2024

Mission and Vehicle-Level Updates for the Parallel Electric-Gas Architecture with Synergistic Utilization Scheme (PEGASUS) Concept Aircraft

NASA created the PEGASUS concept with the goal of lowering mission energy (a surrogate for operating cost) compared to other regional aircraft by leveraging electrified aircraft propulsion (EAP). Since its inception, researchers have explored multiple facets of PEGASUS in varying fidelity but have not completed a rigorous, integrated design. The goal of this memorandum is to provide an updated design using recent studies and improved methods. This memorandum explores the initial vehicle concept and concept of operations, while considering ways to improve both the mission concept of operations and the integrated vehicle-level performance. Additionally, the design and analysis methodologies for EAP-enabled aircraft concepts are improved in several areas. This research incorporates new propulsion-airframe integration and wing weight surrogates to model the impacts of wingtip propulsors on the configuration. Detailed weight and balance calculations enable calculating dynamic stability and flight qualities within the conceptual design environment. Ultimately, the vehicle is optimized to reduce "well-to-wake" equivalent CO2, CO2e, rather than minimizing either fuel (or total energy) consumption or maximum takeoff weight. Using fuel/energy or takeoff weight leads to conflicting optima for hybrid-electric aircraft. Two aircraft are developed to provide points of comparison for PEGASUS: an advanced conventional turboprop vehicle and a hybrid-electric variant. The results show that the PEGASUS concept can reduce CO2e relative to the advanced turboprop or a hybrid-electric propulsion architecture, albeit with an increase in maximum takeoff weight. PEGASUS's maximum takeoff weight is 55% heavier than the advanced conventional turboprop but releases 18% less CO2e for a 400 nmi mission. Over the same mission, PEGASUS's maximum takeoff weight is 47% heavier than the comparator hybrid-electric vehicle but releases 12% less CO2e. This study shows that the PEGASUS configuration reduces CO2e through its use of wingtip propulsors and that its benefit is not solely a result of switching to a hybrid-electric propulsion architecture. PEGASUS achieves this reduction in CO2e while maintaining satisfactory Level 1 or 2 flight qualities for all of its longitudinal- and lateral-directional modes.

Hybrid-electric↗

DOE OSTI2020

The Analog Front-end for the LGAD Based Precision Timing Application in CMS ETL

The analog front-end for the Low Gain Avalanche Detector (LGAD) based precision timing application in the CMS Endcap Timing Layer (ETL) has been prototyped in a 65 nm CMOS mini-ASIC named ETROC0. Serving as the very first prototype of ETL readout chip (ETROC), ETROC0 aims to study and demonstrate the performance of the analog frontend, with the goal to achieve 40 to 50 ps time resolution per hit with LGAD (therefore reach about 30ps per track with two detector-layer hits per track). ETROC0 consists of preamplifier and discriminator stages, which amplifies the LGAD signal and generates digital pulses containing time of arrival and time over threshold information. This paper will focus on the design considerations that lead to the ETROC front-end architecture choice, the key design features of the building blocks, the methodology of using the LGAD simulation data to evaluate and optimize the front-end design. The ETROC0 prototype chips have been extensively tested using charge injection and the measured performance agrees well with simulation. The initial beam test results are also presented, with time resolution of around 33 ps observed from the preamplifier waveform analysis and around 41 ps from the discriminator pulses analysis. A subset of ETROC0 chips have also been tested to a total ionizing dose of 100 MRad with X-ray and no performance degradation been observed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Storm-DEPART (Damage Estimate Prediction and Recovery Tool)

Storm-DEPART (Damage Estimate Prediction and Restoration Tool): Each year hurricanes and tropical storms in the United States damage critical infrastructure assets, disrupt the services they provide, and cause millions to billions of dollars in economic impacts due to extended recovery times. The Storm-DEPART tool and analytical output enable more impactful data-driven decision-making capabilities and strengthen national-level disaster preparedness, response, and recovery. Storm-DEPART, built through multi-month collaboration between Entergy and INL, combines Entergy’s critical infrastructure inventory data with weather forecasts to predict damages to Electric utility’s assets due to natural disasters and the estimated recovery support needed, including time, materials, and resource allocation. In the event of an approaching hurricane, this innovative solution can assess potential damage to power generation capacity, transmission grids, distribution networks, and communications assets from wind bands, storm surge, and flooding. With more effective predictions, Entergy can more efficiently allocate resources to mitigate impacts and optimize recovery for customers. Storm-DEPART also allows Electric utilities the ability to apply a planning scenario and model expected damage to better inform infrastructure restoration needs leading to enhance system resiliency. The technology is fully transferrable to other electric utilities with the same damage estimating challenges. The INL team is working on the evolution of Storm-DEPART to include ice event damage prediction framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Storm-DEPART (Damage Estimate Prediction and Recovery Tool)

24 POWER TRANSMISSION AND DISTRIBUTION↗