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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 163 records · Page 9

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DOE OSTI2022

Physics-based modeling and information-theoretic sensor and settings selection for tool wear detection in precision machining

Precision machining of metals is an energy intensive process with applications and impacts across the manufacturing industry. The energy efficiency, product yield, and maintenance of the precision machine require a digital twin that can assist with prognostics and health management. In this report a physics-based model is developed and validated against face milling data, and then used for the timely and precise inference of machining faults that cannot be measured directly. Computer numerical control (CNC) measurements of power and force are used through this physics-based machining model to predict deviations of the outputs of power consumption and cutting forces during normal operation. A model-based fault detection and isolation methodology is applied to determine the optimal (traditional and available) sensor suite and the test settings (admissible input values) that improve the inference of tool wear in face milling. The optimal sensor suite and input test settings are obtained by solving a mixed integer non-linear program that optimizes information-theoretic metrics relevant to the detection and isolation of tool wear from steady-state or transient machining measurements. Dynamic time warping and k—NN classification are then used to validate the robustness of the optimal design for fault detection test design, including the optimal sensor suite.

42 ENGINEERING↗

DOE OSTI2020

Piecewise polyhedral formulations for a multilinear term

Herein, we present a mixed-integer linear programming (MILP) formulation of a piecewise, polyhedral relaxation (PPR) of a multilinear term using its convex-hull representation. Based on the PPR’s solution, we also present a MILP formulation whose solutions are feasible for nonconvex, multilinear equations. We then present computational results showing the effectiveness of proposed formulations on standard benchmark nonlinear programs (NLPs) with multilinear terms and compare with a traditional formulation that is built using recursive bilinear groupings of multilinear terms.

42 ENGINEERING↗

DOE OSTI2025

An analysis of physics limited dispatch of nuclear renewable integrated energy systems using deep reinforcement learning and dynamic modeling

Previous approaches to dispatching nuclear integrated energy systems (NIES) have focused on the profitability and flexibility of these systems to operate on energy grids with highly variable pricing. However, due to the complexity involved in modeling and designing these systems, there has been less emphasis on ensuring that these dispatch strategies are physically achievable. It is imperative to develop methods that allow the system to remain within the desired NIES operating conditions and perform this based on realistic limited forecasted information. This research employs next generation artificial intelligence, namely deep reinforcement learning (DRL), and a dynamic system model written in Modelica to find a safe and profitable dispatch strategy for a solar nuclear hybrid design. The DRL agent is shown to find a novel dispatch strategy that manages both power ramping and power levels while respecting operational limits. This DRL-based dispatch is compared to other dispatching strategies including an optimal design solution from mixed integer linear programming (MILP). It is found that incorporating the physics of such a tightly coupled NIES limits the profitability of the MILP-based dispatch strategy. As a result, the MILP solution overestimates the design’s generated revenue. In contrast, DRL significantly reduces the number of breaches of safe operational conditions during energy arbitrage while maintaining profitability. Furthermore, this work paves the way for a more detailed assessment of NIES profitability and could be used to aid operator decisions on future NIES projects.

14 - SOLAR ENERGY↗

DOE OSTI2021

Risk-averse optimization for resilience enhancement of complex engineering systems under uncertainties

With the growth of complexity and extent, large scale interconnected network systems, e.g., transportation networks or infrastructure networks, become more vulnerable to external disturbances. Hence, managing potential disruptive events during the design, operating, and recovery phase of an engineered system and therefore improving the system’s resilience is an important yet challenging task. Here, to ensure system resilience after the occurrence of failure events, this study proposes a mixed-integer linear programming (MILP) based restoration framework using heterogeneous dispatchable agents. The scenario-based stochastic optimization (SO) technique is adopted to deal with the inherent uncertainties imposed on the recovery process from nature. Moreover, different from conventional SO using deterministic equivalent formulations, the CVaR risk measure is implemented for this study because of the temporal sparsity of the decision making in applications such as the recovery from extreme events. The resulting restoration framework involves a large-scale MILP problem and thus an adequate decomposition technique i.e. modified Lagrangian dual decomposition, is also employed to achieve tractable computational complexity. Case study results based on the IEEE 37-bus test feeder demonstrate the benefits of using the proposed framework for resilience improvement as well as the advantages of adopting SO formulations.

42 ENGINEERING↗

DOE OSTI2021

Stochastic pre-event preparation for enhancing resilience of distribution systems

Extreme weather events are the common causes for power supply interruptions and power outages in electrical distribution systems. Improving the distribution system and enhancing its resilience is becoming crucial due to the increased frequency of extreme weather events. Preparation and allocation of multiple flexible resources, such as mobile resources, fuel resources, and labor resources before extreme weather events can mitigate the effects of extreme weather events and enhance the resilience of power distribution systems. Here, in this paper, a two-stage stochastic mixed-integer linear programming (SMILP) is proposed to optimize the preparation and resource allocation process for upcoming extreme weather events, which leads to faster and more efficient post-event restoration. The objective of the proposed two-stage SMILP is to maximize the served load and minimize the operating cost of flexible resources. The first stage in the optimization problem selects the amounts and locations of different resources. The second stage considers the operational constraints of the distribution system and repair crew scheduling constraints. The proposed stochastic pre-event preparation model is solved by a scenario decomposition method, Progressive Hedging (PH), to ease the computational complexity introduced by a large number of scenarios. Furthermore, to show the impact of solar photovoltaic (PV) generation on system resilience, three types of PV systems are considered during a power outage and the resilience improvements with different PV penetration levels are compared. Numerical results from simulations on a large-scale (more than 10,000 nodes) distribution feeder have been used to validate the effectiveness and scalability of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Supply chain optimization of sustainable aviation fuel from carinata in the Southeastern United States

We report carinata is a purpose-grown oilseed feedstock for renewable fuels, including sustainable aviation fuel (SAF) that can replace conventional aviation fuel (CAF). Given carinata is a new crop in the Southeastern United States, it is crucial to analyze its sustainability from a supply chain perspective. This study developed a mixed-integer linear programming (MILP) model and simulated it for 20 years, starting from a farm (county-level data) and ending at the airport. About 2.06 million ha in Alabama, Florida, and Georgia combined were found suitable for carinata production. Given the three-year rotation period, about 0.69 million hectares can be cultivated annually, approximately 65% of which was in Georgia. About 2.4% of the combined SAF annual demand of four major airports (about 210 thousand t) in the study area is satisfied at that level of carinata cultivation. However, all available SAF was supplied to the Atlanta airport as this decision minimizes the supply chain cost. A total of 1343 storage units, one oil extraction mill, and one biorefinery were needed to meet the overall demand. We found that SW Georgia is the top supplier of carinata seeds. The unit cost of production and carbon intensity were estimated to be $\$$0.89 L -1 (or $\$$26.79 GJ -1 ) and 0.91 kg CO 2 e L -1 (or 27.28 kg CO 2 e GJ -1 ), respectively. This carbon intensity of carinata-based SAF was 67.8% lower than that of CAF. With variations included in SAF demand, yield, and soil carbon sequestration, carbon savings remained between 66.5% and 67.8%. Given the GHG advantage of SAF over CAF, there is justification for subsidies required to make SAF competitive.

10 SYNTHETIC FUELS↗

DOE OSTI2024

Techno-economic analysis and network design for CO 2 conversion to jet fuels in the United States

The conversion of carbon dioxide (CO 2 ) into jet fuel holds significant potential for reducing CO 2 emissions, providing an alternative to carbon-based resources, and offering a renewable means of energy storage. The objective of this study is to conduct a techno-economic analysis and optimize the supply chain network for converting CO 2 to jet fuel in the United States, aiming to minimize total costs while assessing the environmental and economic feasibility of two CO 2 conversion pathways. This first pathway is based on Fischer-Tropsch synthesis (FTS), and the other one is based on the valorization and upgrading of light methanol (MeOH). Incorporating spatial and techno-economic data, a mixed-integer linear programming model was developed to select source plants and conversion pathways, locations of conversion refinery sites, and the amount of captured CO 2 across the United States. The optimal results indicate that the FTS pathway is adopted at all selected refineries when the hydrogen price is 1000 dollars/t and the operating cost, mainly electricity used in conversion, is reduced to 5 % of its current level. Under this scenario, the total annual profit is 8 billion dollars, and the net carbon emissions are -88,783,284 tons. The sensitivity analyses reveal that the prices of electricity and hydrogen significantly contribute to total production costs. The CO 2 recycle percentage of the FTS pathway influences the choice of applied pathways at refineries. Additionally, a higher conversion rate holds a substantial promise for reducing the total production cost and can make the MeOH pathway a viable choice.

10 SYNTHETIC FUELS↗

DOE OSTI2020

Environmental and economic optima of solar home systems design: A combined LCA and LCC approach

Here, we compare the economic and environmental optimal design of Solar Home Systems (SHSs) and explore the role of economic incentives (such as tariffs and technology costs) in approximating the two optima. To achieve that, we present a methodology for the environmental and economic evaluation of grid-connected SHSs: user-scale electric systems involving a photovoltaic (PV) power system and a battery energy storage system. The proposed methodology is based on a mixed integer linear programming (MILP) optimization, life cycle assessment and life cycle costing. This methodological framework is applied to a case study involving a typical SHS installation in Italy. The results of the environmental optimal design brought to the evaluation of a 3.25 kW PV assisted by 8.66 kWh of nickel cobalt manganese batteries, whereas the costs of the SHS are minimized by a small PV system (less than 1 kW). Results underline that the environmental optimal configurations rely on battery technologies, which entails a significant cost compared to the grid connection. In contrast, the economic optimal design solutions is less impactful than the grid mix both from an environmental and economic points of view. Thanks to a reduction of batteries and PV costs, the environmental impact of the economic optimal design is expected to decrease in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

A systems engineering framework for the optimization of food supply chains under circular economy considerations

The current linear “take-make-waste-extractive” model leads to the depletion of natural resources and environmental degradation. Circular Economy (CE) aims to address these impacts by building supply chains that are restorative, regenerative, and environmentally benign. This can be achieved through the re-utilization of products and materials, the extensive usage of renewable energy sources, and ultimately by closing any open material loops. Such a transition towards environmental, economic and social advancements requires analytical tools for quantitative evaluation of the alternative pathways. Here, in this work, we present a novel CE system engineering framework and decision-making tool for the modeling and optimization of food supply chains. First, the alternative pathways for the production of the desired product and the valorization of wastes and by-products are identified. Then, a Resource-Task-Network representation that captures all these pathways is utilized, based on which a mixed-integer linear programming model is developed. This approach allows the holistic modeling and optimization of the entire food supply chain, taking into account any of its special characteristics, potential constraints as well as different objectives. Considering that typically CE introduces multiple, often conflicting objectives, we deploy here a multi-objective optimization strategy for trade-off analysis. A representative case study for the supply chain of coffee is discussed, illustrating the steps and the applicability of the framework. Single and multi-objective optimization formulations under five different coffee-product demand scenarios are presented. The production of instant coffee as the only final product is shown to be the least energy and environmental efficient scenario. On the contrary, the production solely of whole beans sets a hypothetical upper bound on the optimal energy and environmental utilization. In both problems presented, the amount of energy generated is significant due to the utilization of waste generated for the production of excess energy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Optimal assignment for the single-household shared autonomous vehicle problem

Autonomous vehicles have the potential to transform the way people are transported. While driverless technology may mean fewer vehicles are required to transport people to and from their daily activities, such changes may result in increased congestion or total miles traveled. In this study, we solve the single-household shared autonomous vehicle problem to identify cost-optimal routings of vehicles throughout the day. Such a tool will be useful for consumers seeking to minimize cost and for regulators seeking to understand and predict how people may behave in different scenarios. Here, we provide a thorough literature review and construct a mixed-integer linear program to minimize the daily travel cost of a household attending a given set of activities. Since solution time is a determinant for applicability of such a model, we present the model in a component-wise fashion. This approach allows us to understand which features most affect the problem complexity and solution time. We note that modeling carpooling is the feature that most increases time to find an optimal solution, and we therefore propose a novel modeling technique for carpooling two people. We illustrate the performance of our model by comparing it with other models from the literature and note that our model can solve significantly larger problem instances and in a time that is short enough to facilitate real-time scheduling. We also highlight the utility of our model for regulators, who can use it to analyze quickly produced optimal routes under different cost/tax scenarios.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Extreme-scale EV charging infrastructure planning for last-mile delivery using high-performance parallel computing

Here, this paper addresses stochastic charger location and allocation problems under queue congestion for last-mile delivery using electric vehicles (EVs). The objective is to decide where to open charging stations and how many chargers of each type to install, subject to budgetary and waiting-time constraints. We formulate the problem as a mixed-integer non-linear program, where each station-charger pair is modeled as a multiserver queue with stochastic arrivals and service times to capture the notion of waiting in fleet operations. The model is extremely large, with billions of variables and constraints for a typical metropolitan area; even loading the model in solver memory is difficult, let alone solving it. To address this challenge, we develop a Lagrangian-based dual decomposition framework that decomposes the problem by station and leverages parallelization on high-performance computing systems, where the subproblems are solved by using a cutting plane method and their solutions are collected at the master level. We also develop a three-step rounding heuristic to transform the fractional subproblem solutions into feasible integral solutions. Computational experiments on data from the Chicago metropolitan area with hundreds of thousands of households and thousands of candidate stations show that our approach produces high-quality solutions in cases where existing exact methods cannot even load the model in memory. We also analyze various policy scenarios, demonstrating that combining existing depots with newly built stations under multiagency collaboration substantially reduces costs and congestion. These findings offer a scalable and efficient framework for developing sustainable large-scale EV charging networks.

Capacity allocation↗

DOE OSTI2021

Real time operation of high-capacity electric vehicle ridesharing fleets

We study the feasibility of using electric vehicles in online, high-capacity ridepooling systems. Prior work has shown that online algorithms perform well for centrally-controlled, high-capacity ridepool systems. First, we propose a mixed integer linear program to expand past algorithms on ridepooling to electric vehicle fleets with the objective of scheduling vehicle charging to maintain sufficient fleet sizes at various times of day. Then we show a faster, scalable algorithm with similar performance that is practical for full-scale systems. Furthermore, our contributions reinforce the importance of having knowledge and estimates of future demand even when operating in the online setting.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Redesigning large-scale multimodal transit networks with shared autonomous mobility services

Here, this study addresses a large-scale multimodal transit network design problem, with Shared Autonomous Mobility Services (SAMS) as both transit feeders and an origin-to-destination mode. The framework captures spatial demand and modal characteristics, considers intermodal transfers and express services, determines transit infrastructure investment and path flows, and generates transit routes. A system-optimal multimodal transit network is designed with minimum total door-to-door generalized costs of users and operators, satisfying transit origin-destination demand within a pre-set infrastructure budget. Firstly, the geography, demand, and modes in each zone are characterized with continuous approximation. The decisions of network link investment and multimodal path flows in zonal connection optimization are formulated as a minimum-cost multi-commodity network flow (MCNF) problem and solved efficiently with a mixed-integer linear programming (MILP) solver. Subsequently, the route generation problem is solved by expanding the MCNF formulation to minimize intramodal transfers. The model is illustrated through a set of experiments with the Chicago network comprised of 50 zones and seven modes, under three scenarios. The computational results present savings in traveler journey time and operator cost demonstrating the potential benefits of collaboration between multimodal transit systems and SAMS.

Autonomous vehicles↗

DOE OSTI2024

Heuristic solutions to the single depot electric vehicle scheduling problem with next day operability constraints

This study focuses on the single depot electric vehicle scheduling problem (SDEVSP) within the broader context of the vehicle scheduling problem (VSP). By developing an effective scheduling model using mixed-integer linear programming, we generate bus blocks that accommodate electric vehicles (EVs), ensuring successful completion of each block while considering recharging requirements between blocks and during off-hours. Next day operability constraints are also incorporated, allowing for seamless repetition of blocks on subsequent days. The SDEVSP is known to be computationally complex, deriving optimal solutions unattainable for large-scale problems within reasonable timeframes. To address this, we propose a two-step solution approach: first solving the single depot VSP, and then addressing the block chaining problem (BCP) using the blocks generated in the first step. The BCP focuses on optimizing block combinations to facilitate recharging between consecutive blocks, considering operational constraints. Further, a case study conducted reveals that nearly 100% electrification for Chicago, IL and Austin, TX transit buses is viable yet requires 1.6 EVs at 150-mile range per diesel vehicle.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Phase-based design of CO 2 capture, transport, and storage infrastructure via SimCCS 3.0

The design of optimal infrastructure is essential for the deployment of commercial and large-scale carbon capture and storage (CCS) technology. During the design process, it is important to consider CO 2 capture and storage locations and CO 2 transportation pipelines to minimize the total project cost. SimCCS, first introduced in 2009, is an integrated open-source tool to optimize CCS infrastructure. The core CCS infrastructure design problem in SimCCS is structured as a mixed-integer linear programming problem by selecting the optimal pipeline routes, searching CO 2 source capture and storage locations, and determining the corresponding CO 2 amounts to meet desired capture targets. Multiple important and practical features have been developed to the latest version of SimCCS, SimCCS 3.0 . One of these features is phase-based modeling which enables users to dynamically design the CCS infrastructure. We demonstrate the phased-based modeling capability using two CCS infrastructure optimization case studies. The results from these case studies reveal that the phase-based modeling capability in SimCCS is particularly useful to optimize the dynamic deployment of CCS projects.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Coupling flux balance analysis with reactive transport modeling through machine learning for rapid and stable simulation of microbial metabolic switching

Integrating genome-scale metabolic networks with reactive transport models (RTMs) provides a detailed description of the dynamic changes in microbial growth and metabolism. Despite promising demonstrations in the past, computational inefficiency has been pointed out as a critical issue to overcome because it requires repeated application of linear programming (LP) to obtain flux balance analysis (FBA) solutions in every time step and spatial grid. To address this challenge, we propose a new simulation method where we train and validate artificial neural networks (ANNs) using randomly sampled FBA solutions and incorporate the resulting surrogate FBA model (represented as algebraic equations) into RTMs as source/sink terms. We demonstrate the efficiency of our method via a case study of Shewanella oneidensis MR-1. During aerobic growth on lactate, S. oneidensis produces metabolic byproducts (such as pyruvate and acetate), which are subsequently consumed as alternative carbon sources when the preferred nutrients are depleted. To effectively simulate these complex dynamics, we used a cybernetic approach that models metabolic switches as the outcome of dynamic competition among multiple growth options. In both zero-dimensional batch and one-dimensional column configurations, the ANN-based surrogate models achieved substantial reduction of computational time by several orders of magnitude compared to the original LP-based FBA models. Moreover, the ANN models produced robust solutions without any special measures to prevent numerical instability. These developments significantly promote our ability to utilize genome-scale networks in complex, multi-physics, and multi-dimensional ecosystem modeling.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

High throughput exploration of the oxidation landscape in high entropy alloys

We report high entropy alloys (HEAs) have gained interest for structural applications in extreme environments. With a potentially vast chemical and phase space, there are significant opportunities to discover superior performing alloys. Crucial for most high-temperature applications is understanding and mitigating the oxidation behavior of these chemically complex alloys. Most experimental and computational HEA studies have focused on a limited set of compositions and only a fraction these compositions have been characterized for oxidation. We present a high-throughput framework that utilizes density-functional theory (DFT) in concert with a combined machine-learning model and grand-canonical linear programming for assessing phase stability, phase-fraction, chemical activity and high-temperature survivability of arbitrary HEAs. This framework considers temperature dependent contributions to the Gibbs energy of the competing phases arising from short-range order and vibrational entropy. We demonstrate the effectiveness of the framework by assessing the thermodynamic stability, oxidation behavior, chemical activity, and phase decomposition of body-centered cubic Mo-W-Ta-Ti-Zr refractory HEAs. A total of 51 compositions were analyzed and ranked in order of their survivability based on the Pareto-front analysis. Oxidation was performed at 1373 K on fours samples in air showing the difference in oxidation behavior determined experimentally through scale thickness and their mass changes. The insights on oxidation behavior presented in this work will enable the fast assessment of technologically useful HEAs needed for future structural application in extreme conditions

36 MATERIALS SCIENCE↗

DOE OSTI2026

Stochastic Microgrid Scheduling With Chance‐Constrained Resilience Consideration

Traditionally, it is assumed that microgrids transition seamlessly from grid‐connected operation to islanded mode in the event of sudden main grid outages. In reality, the islanding process, especially unintentional islanding, is rarely seamless. Instead, it is subject to voltage and frequency fluctuations caused by the instantaneous disconnection of the point of common coupling (PCC) switch, variations in loads and renewable generation output and even the protection tripping of distributed energy resources (DERs). To mitigate these fluctuations and facilitate a smooth islanding process, we propose a stochastic microgrid scheduling model that incorporates chance‐constrained resilience measures. Specifically, the resilience measure is defined as the probability of successful islanding (PSI), that is, the probability that a microgrid can mitigate the generation‐demand imbalance caused by the disconnection of the PCC switch, variations in load and renewable generation and DER tripping. This measure is modelled using chance constraints. Unlike existing reliability and resilience indices, which typically neglect the possibility of microgrid/DER failure under extreme events and assume their survival while primarily focussing on reducing impact duration or magnitude, the proposed PSI‐based framework explicitly addresses microgrid and DER survival during the islanding transition. The formulated nonlinear chance constraints are approximated using a multiinterval approach and equivalently represented as a mixed‐integer linear programming (MILP) formulation. Case study results validate the proposed method, showing that the PSI estimation error is reduced to less than 8%, compared to approximately 28% with existing methods. Various sensitivity analyses on the DER tripping rate and PSI settings were performed to validate the robustness of the proposed method. In particular, the necessity of accounting for DER tripping in the PSI calculation was demonstrated.

chance constrained optimization↗