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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Disjunctive linear separation conditions and mixed-integer formulations for aircraft conflict resolution

In this paper, we address the aircraft conflict resolution problem in air traffic control. We introduce new mixed-integer programming formulations for aircraft conflict resolution with speed, heading and altitude control which are based on disjunctive linear separation conditions. We first examine the two-dimensional aircraft conflict resolution problem with speed and heading control represented as continuous decision variables. We show that the proposed disjunctive linear separation conditions are equivalent to the classical nonlinear conditions for aircraft separation. Further, we characterise conflict-free trajectories based on aircraft velocity bounds and propose a simple pre-processing algorithm to identify aircraft pairs which are either always conflict-free, or which cannot be separated using speed and heading control only. We then incorporate altitude control and propose a lexicographic optimisation formulation that aims to minimise the number of flight level changes before resolving outstanding conflicts via two-dimensional velocity control. The proposed mixed-integer programming formulations are nonconvex, and we propose convex relaxations, decomposition methods and constraint generation algorithms to solve the two-dimensional and lexicographic optimisation formulations to guaranteed optimality. Numerical experiments on four types of conflict resolution benchmarking instances are conducted to test the performance of the proposed mixed-integer formulations. Further, the proposed method is compared against two benchmarks based on state-of-the-art approaches for the aircraft conflict resolution problem. Our numerical results show that the proposed method largely outperforms both benchmarks in terms of runtime and is able to solve significantly more instances to global optimality.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

or-topas: Operations Research Toolkit for Pyomo Alternative Solutions

SAND2026-16702O OR-TOPAS: Operations Research Toolkit for Pyomo Alternative Solutions is a tool that enhances optimization applications defined by the Pyomo modeling library. It offers functions to generate optimal or near-optimal solutions, operating independently of Pyomo’s solver interface. Users can configure these functions with specific solver names and options, resulting in a custom solution object that returns a list of solutions. The OR-TOPAS library includes methods tailored to the properties of the model, such as binary integer programs versus linear programs, and specific solver interfaces like Gurobi. It does not provide models for specific applications, but it is applicable to a wide range of Pyomo optimization models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Siirola, John [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2020

Learning to Solve Large-Scale Security-Constrained Unit Commitment Problems

Security-constrained unit commitment (SCUC) is a fundamental problem in power systems and electricity markets. In practical settings, SCUC is repeatedly solved via mixed-integer linear programming (MIP), sometimes multiple times per day, with only minor changes in input data. In this work, we propose a number of machine learning techniques to effectively extract information from previously solved instances in order to significantly improve the computational performance of MIP solvers when solving similar instances in the future. Based on statistical data, we predict redundant constraints in the formulation, good initial feasible solutions, and affine subspaces where the optimal solution is likely to lie, leading to a significant reduction in problem size. Computational results on a diverse set of realistic and large-scale instances show that using the proposed techniques, SCUC can be solved on average 4.3 times faster with optimality guarantees and 10.2 times faster without optimality guarantees, with no observed reduction in solution quality. Out-of-distribution experiments provide evidence that the method is somewhat robust against data-set shift. Summary of Contribution. The paper describes a novel computational method, based on a combination of mixed-integer linear programming (MILP) and machine learning (ML), to solve a challenging and fundamental optimization problem in the energy sector. The method advances the state-of-the-art, not only for this particular problem, but also, more generally, in solving discrete optimization problems via ML. We expect that the techniques presented can be readily used by practitioners in the energy sector and adapted, by researchers in other fields, to other challenging operations research problems that are solved routinely.

Machine Learning↗

DOE OSTI2025

White Paper: Research & Development for the Time at Temperature Approach

Recent advancements in nuclear power research are greatly improving reactor safety and performance through the development of Accident Tolerant Fuel (ATF) and Low-Enriched Uranium Plus (LEU+). These innovations can address Departure from Nucleate Boiling (DNB) margins, which are vital for reactor safety. DNB happens when the coolant switches to film boiling, significantly decreasing heat transfer and posing a risk of fuel cladding failure. The U.S. Nuclear Regulatory Commission (NRC) employs conservative DNB criteria, which can potentially restrict the operational flexibility and efficiency of reactors. The Time at Temperature (TaT) approach could provide a more detailed and adaptable operational guideline by establishing acceptable time-temperature limits, accounting for the duration a material can withstand elevated temperatures without losing its integrity. This method allows reactors to operate more efficiently and safely, offering additional operational margins, faster power adjustments, and improved fuel cycle economics. TaT criteria allow for higher power levels and more flexible responses to operational transients, particularly applicable for anticipated operational occurrences (AOOs) that result in short durations of post-DNB conditions. It enhances plant operational flexibility, allows faster startup times, and enables quicker power level adjustments, optimizing fuel loading patterns and improving fuel cycle economics. Implementing TaT limits reduces core design constraints, lowers fuel usage, and reduces costs, essential for the long-term sustainability of Light Water Reactors (LWRs). TaT maximizes the use of advanced fuel technologies like ATF and LEU+, further enhancing their economic and environmental benefits. To apply the TaT approach in existing LWRs, collaborative research activities among various DOE-sponsored programs are essential. These efforts should incorporate fuel experiments, physics-based high-fidelity modeling, ML-based surrogate modeling, and optimization techniques. This whitepaper proposes four research and development areas: 1) Investigation of the feasibility of new operations of LWR with updated safety limits; 2) Assessment of reactor operation limits through uncertainty reduction; 3) Evaluation of power uprate in virtual environment; and 4) Lattice and reactor core design for power uprate. Each area includes why this research is in need and a suggested scope of work. These comprehensive research areas ensure practical and beneficial advancements for existing reactors, translating innovations in nuclear fuel and cladding technology into improved reactor performance and safety.

42 - ENGINEERING↗

DOE OSTI2014

Designing a High Performance OpenSHMEM Implementation using Universal Common Communication Substrate as a Communication Middleware

OpenSHMEM is an effort to standardize the well-known SHMEM parallel programming library. The project aims to produce an open-source and portable SHMEM API and is led by ORNL and UH. In this paper, we optimize the current OpenSHMEM reference implementa- tion, based on GASNet, to achieve higher performance characteristics. To achieve these desired performance characteristics, we have redesigned an important component of the OpenSHMEM implementation, the network layer, to leverage a low-level communication library designed for imple- menting parallel programming models called UCCS. In particular, UCCS provides an interface and semantics such as native atomic operations and remote memory operations to better support PGAS programming models, including OpenSHMEM. Through the use of microbenchmarks, we evaluate this new OpenSHMEM implementation on various network metrics, including the latency of point-to-point and collective operations. Furthermore, we compare the performance of our OpenSHMEM imple- mentation with the state-of-the-art SGI SHMEM. Our results show that the atomic operations of our OpenSHMEM implementation outperform SGI s SHMEM implementation by 3%. Its RMA operations outperform both SGI s SHMEM and the original OpenSHMEM reference implemen- tation by as much as 18% and 12% for gets, and as much as 83% and 53% for puts.

Welch, Donald A↗

DOE OSTI2025

Optimal Transport as a Tool for Scientific Discovery in Radiation Biology

This report summarizes findings from research conducted for the “Exploration of the Poten tial for Artificial Intelligence and Machine Learning to Advance Low-Dose Radiation Biology Re search” (RadBio-AI) program, supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, under Awards KP1601011/FWP CC121 and KP1601017/FWP CC121. The research reported here was undertaken in an effort to assess the potential of optimal measure transport methods as components within the larger scope of a com putational framework envisioned to support research in the radiation biology domain. Within this effort, our interest centered on enabling a unified generic framework where probabilistic modeling, inference, and statistical learning can be carried out for a wide range of data distributions. As described next in Section 1 (and in more detail in our original publication), optimal measure transport offers the possibility of such unified approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Army Net Zero: Energy Roadmap and Program Summary, Fiscal Year 2013 (Brochure)

The U.S. Army (Army) partnered with the National Renewable Energy Laboratory (NREL) and the U.S. Army Corps of Engineers to assess opportunities for increasing energy security through improved energy efficiency and optimized renewable energy strategies at nine installations across the Army's portfolio. Referred to as Net Zero Energy Installations (NZEIs), these projects demonstrate and validate energy efficiency and renewable energy technologies with approaches that can be replicated across DOD and other Federal agencies, setting the stage for broad market adoption. This report summarizes the results of the energy project roadmaps developed by NREL, shows the progress each installation could make in achieving Net Zero Energy by 2020, and presents lessons learned and unique challenges from each installation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Surrogate Modeling for Capacity Planning of Charging Station Equipped with PV and Hydropneumatic Energy Storage

Due to the promising potential for environmental sustainability, there has been a significant increase of electric vehicles (EVs) and plug-in hybrid electric vehicles (PHEV) in the market. To support this increasing demand for EVs and PHEVs, challenges related to capacity planning and investment costs of public charging infrastructure must be addressed. Hence, in this paper, a capacity planning problem for EV charging stations is developed and aims to balance current capital investment costs and future operational revenue. The charging station considered in this work is assumed to be equipped with solar photovoltaic panel (PV) and an energy storage system which could be electric battery or the recently invented hydro-pneumatic energy storage (GLIDES, Ground-Level Integrated Diverse Energy Storage) system. A co-optimization model that minimizes investment and operation cost is established to determine the global optimal solution while combining the capacity and operational decision making. The operational decision making considers EV mobility which is modeled as an Erlang-loss system. Meanwhile, stochastic programming is adopted to capture uncertainties from solar radiation and charging demand of the EV fleet. To provide a more general and computationally efficient model, main configuration parameters are sampled in the design space and then fixed in solving the co-optimization model. The model can be used to provide insights for charging station placement in different practical situations. The sampled parameters include: the total number of EV charging slots, the PV area, the maximum capacity of the energy storage system, and daily mean EV arrival number in the Erlang-loss system. Based on the sampled parameter combinations and its responses, black-box mappings are then constructed using surrogate models (RBF, Kriging etc). The effectiveness of proposed surrogate modeling approach is demonstrated in the numerical experiments.

Chen, Yang↗

DOE OSTI2026

Automation of Laser Plasma Focused Ion Beam Microscopy for Next-Gen Energy Materials

Automation can revolutionize the use of ultrafast laser ablation and plasma-focused ion beam (PFIB) techniques for high-throughput, reproducible cross-sectioning and various sample preparation in materials characterization. As these methods become essential for analyzing complex energy materials and next-generation devices, efficient, standardized workflows are needed to minimize variability and enhance precision. This work highlights our advancements in developing automated processes for sample preparation that integrates machine learning, workflow optimization, and large-scale data acquisition to improve efficiency and scalability in applications such as electrolyzers, photovoltaic cells, and microelectronics. To streamline cross-sectioning and lamella fabrication, we have implemented fully automated workflows that standardize laser ablation and PFIB milling sequences. These workflows incorporate pre-programmed protocols for material removal, alignment, and thinning, reducing user intervention and ensuring consistency across different sample types. Machine learning algorithms further enhance automation by predicting optimal milling strategies and adapting parameters based on material properties and sectioning requirements. This approach significantly improves throughput while maintaining the structural integrity of prepared samples for high-resolution imaging and analysis, including transmission electron microscopy. Beyond sample preparation, our automation platform enables the acquisition of large, high-resolution datasets through serial sectioning, image alignment, and 3D reconstruction. These automated routines facilitate multi-scale characterization, capturing structural and compositional details from the nanoscale to the device level. By reducing variability and increasing efficiency, our automated approach enhances defect analysis, failure diagnostics, and process optimization, accelerating advancements in materials research and device engineering.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Optimal Operation of PV Sources in DC Grids for Improving Technical, Economical, and Environmental Conditions by Using Vortex Search Algorithm and a Matrix Hourly Power Flow

This document presents a master–slave methodology for solving the problem of optimal operation of photovoltaic (PV) distributed generators (DGs) in direct current (DC) networks. This problem was modeled using a nonlinear programming model (NLP) that considers the minimization of three different objective functions in a daily operation of the system. The first one corresponds to the minimization of the total operational cost of the system, including the energy purchasing cost to the conventional generators and maintenance costs of the PV sources; the second objective function corresponds to the reduction of the energy losses associated with the transport of energy in the network, and the third objective function is related to the minimization of the total emissions of CO2 by the conventional generators installed on the DC grid. The minimization of these objective functions is achieved by using a master–slave optimization approach through the application of the Vortex Search algorithm combined with a matrix hourly power flow. To evaluate the effectiveness and robustness of the proposed approach, two test scenarios were used, which correspond to a grid-connected and a standalone network located in two different regions of Colombia. The grid-connected system emulates the behavior of the solar resource and power demand of the city of Medellín-Antioquia, and the standalone network corresponds to an adaptation of the generation and demand curves for the municipality of Capurganá-Choco. A numerical comparison was performed with four optimization methodologies reported in the literature: particle swarm optimization, multiverse optimizer, crow search algorithm, and salp swarm algorithm. The results obtained demonstrate that the proposed optimization approach achieved excellent solutions in terms of response quality, repeatability, and processing times.

14 SOLAR ENERGY↗

DOE OSTI2018

Final Scientific / Technical Report: Enabling Technologies for Heavy-Duty Vehicles – Cummins 55BTE

The Cummins 55% BTE (55BTE) program has completed the planned technical work on the project. This work includes the planned engine system demonstration in pursuit of the goal of demonstrating a peak system brake thermal efficiency (BTE) of 55%. The engine system included a high efficiency diesel engine integrated with a state-of-the-art waste heat recovery (WHR) system and an advanced aftertreatment system capable of meeting the current emissions standards. While the ultimate program goal of 55% BTE was not fully achieved due to hardware issues during the final testing phase, the program demonstrated a significant increase in reported engine system BTE for a heavy duty sized engine. The previous demonstrations in the Department of Energy funded SuperTruck 1 programs ranged between 50% - 51% BTE. The Cummins 55% BTE program demonstrated 54% BTE. Additionally, the program established a revised path-to-target showing how the system could be improved to reach the ultimate program goal of 55% BTE with some minor modification to the engine system. The changes in the revised path-to-target were unable to be completed during the course of this program due to time and money constraints placed on the program. The program’s goals were challenging in both scope and timing. Although the program’s goal can be simply stated in terms of demonstrating a system efficiency of 55%, the achievement of a heavy-duty diesel engine capable of full torque curve operation, adequate transient performance, low emissions and high brake thermal efficiency (>51% BTE) had not been previously demonstrated in a heavy-duty engine. The closest efforts to date included the SuperTruck 1 programs referenced earlier. The program made several advancements in all system areas. The combustion system was re-designed for a shorter combustion duration and lower in-cylinder heat loss. This was achieved through optimization of the fuel injection rate shape, number of spray holes, piston bowl shape, compression ratio, piston oil cooling, heat flow through the piston and in-cylinder charge motion. The air handling system was re-designed to provide cooled EGR at virtually no pumping penalty. This was achieved through implementation of a dual loop EGR system, reduction of EGR system pressure drop, and implementation of advanced turbocharger efficiency technologies. The engine friction and parasitic signature was dramatically reduced by the program through adoption of variable flow pumps, advanced rings and coatings, rollerized valvetrain, adoption of low viscosity lubricants and reduction in cylinder line bore distortion. The aftertreatment system was optimized through use of low dP substrates and an ammonia gas injection system. The WHR system development included the use of a dual-entry turbine and a mixed charger cooler. Finding and implementing these solutions in a short two-year program at the budgeted funding provided the greatest challenge for the program.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Management of Risk and Uncertainty Through Optimized Co-Operation of Transmission Systems and Microgrids with Responsive Loads (Final Report)

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Management of Risk and Uncertainty Through Optimized Co-Operation of Transmission Systems and Microgrids With Responsive Loads (Final Report)

The evolution of the power system to the reliable, efficient and sustainable system of the future will involve development of both demand- and supply-side technology and operations. Ambitious national and state-level goals around the decarbonization of electricity relies on the integration of very high levels of renewable resources, most of which are variable and intermittent. The use of demand response is an ideal approach to counterbalance the intermittency of renewable generation and brings the consumer into the spotlight. Though individual consumers are interconnected at the low-voltage distribution system, these resources are typically modeled as variables at the transmission network level. Demand-side participation cannot be leveraged effectively without explicitly including the distribution system dynamics in the optimization-based wholesale market operations. This project grew from a vision for co-optimized interaction of distribution systems, or microgrids, with the high-voltage transmission system. In this framework, microgrids encompass consumers, distributed renewables and storage. The energy management system of the lower voltage system (distribution or microgrid) can also sell (buy) excess (necessary) energy from the transmission system. Until recently, very little research had been conducted on the co-optimization of these two systems due to computational limitations. However, advances in computational capabilities, and the judicious use of decomposition methods and innovative approximation methods for high-dimension dynamic programming made this goal a viable objective for this project, leading to a fundamental shift in the ability to integrate and fully utilize demand-side resources. To this end, the modeling framework developed introduces a novel co-optimization framework, to include the operations of both the transmission and distribution systems (or microgrids) in operational decision making. This framework was used to analyze renewable and distributed generation along with responsive demand and to compare the capability of co-optimized systems to perform with higher levels of variable renewables. An ideal microgrid is defined as an electric entity capable of operating in both interconnected (with the high-voltage grid) and islanded mode. As such, the microgrid should incorporate generating units (traditional units and intermittent) and if needed, exchange power with the high-voltage grid. The interplay between the microgrid and high-voltage grid motivated the development of the co-optimization approach to ensure efficient performance of the interconnected network. Results show that the use of a bi-level optimization approach is an appropriate structure, capable of co-optimizing a transmission system with multiple distribution systems and microgrids. While increasing the number of connected systems provides increasing flexibility for renewables integration this can also the economic benefits to the low-voltage subsystems with each additional system connected. Comparison of a traditional single-level decision structure with the co-optimization approach illustrates a reduction in overall system cost under co-optimization, while specific cost allocations to transmission and distribution systems are changed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Time-Dependent Electric Bus and Charging Station Deployment Problem

Battery electric buses (BEBs) have gained popularity due to their emission-free and energy-efficient features. Many transit authorities worldwide have set goals to gradually replace their bus fleets with BEBs. Considering the potential decline in BEB battery and charger prices, this study proposes a time-dependent bus fleet transition model to determine the optimal bus fleet transition plan, which includes selecting the bus lines to be electrified, determining the timing and type of BEBs to be purchased, and deploying on-route fast chargers and depot chargers. The model is a bi-objective integer linear program that considers the trade-off between electrified transit mileages and bus electrification costs. A normalized normal constraint method is applied to solve the bi-objective optimization model. The effectiveness of the proposed model is tested using a real-world bus network. Additionally, sensitivity analyses are conducted to better understand the impact of different parameter values on the optimal solutions. Our proposed model can provide transit authorities with a powerful tool to make informed decisions about their BEB fleet replacement plans.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Resilient Distribution System Restoration with Equitable Load Shedding

A methodology is proposed for the improvement of electric distribution system resilience to high-impact, low-probability catastrophic events. An approach for dynamic network reconfiguration and coordination of distributed energy resources is introduced to assist in restoration efforts. The problem is formulated as a mixed-integer linear program that minimizes generation costs, the cost of lost load, and costs associated with equitable load shedding, while respecting operational limits of generation, loads, and the network. Constraints are imposed on binary switching variables to ensure equitable load shedding in emergency situations. Numerical validation of the proposed approach is conducted on an example distribution feeder, and case studies are performed to analyze the impact of various parameters in the optimization problem formulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Benchmarking of Solar Irradiance Nowcast Performance Derived from All-Sky Imagers

Fluctuations of the incoming solar irradiance impact the power generation from photovoltaic and concentrating solar thermal power plants. Accurate solar nowcasting becomes necessary to detect these sudden changes of generated power and to provide the desired information for optimal exploitation of solar systems. In the framework of the International Energy Agency's Photovoltaic Power Systems Program Task 16, a benchmarking exercise has been conducted relying on a bouquet of solar nowcasting methodologies by all-sky imagers (ASI). In this paper, four ASI systems nowcast the Global Horizontal Irradiance (GHI) with a time forecast ranging from 1 to 20 min during 28 days with variable cloud conditions spanning from September to November 2019 in southern Spain. All ASIs demonstrated their ability to accurately nowcast GHI, with RMSE ranging from 6.9% to 18.1%. Under cloudy conditions, all ASIs' nowcasts outperform the persistence models. Under clear skies, three ASIs are better than persistence. Discrepancies in the observed nowcasting performance become larger at increasing forecast horizons. The findings of this study highlight the feasibility of ASIs to reliably nowcast GHI at different sky conditions, time intervals and horizons. Such nowcasts can be used either to estimate solar power at distant times or detect sudden GHI fluctuations.

all-sky imagers↗

DOE OSTI2022

Interpreting the Operando X-ray Absorption Near-Edge Structure of Supported Cu and CuPd Clusters in Conditions of Oxidative Dehydrogenation of Propane: Dynamic Changes in Composition and Size

Supported subnano-cluster catalysts are highly dynamic, developing true active sites only under the pressures and temperatures of reaction conditions. Operando X-ray absorption near-edge structure (XANES) spectroscopy can track changes in the oxidation state and the local environment of cluster atoms, providing insight into the development of these active sites. While bulk metal, oxide, and hydroxide standards are often used for fitting experimental XANES spectra to obtain average oxidation states, we recently showed that computed cluster standards of relevant compositions are a more suitable basis, producing more accurate fits. Here, we theoretically interpret the operando XANES of supported Cu 3 Pd and Cu 4 clusters during temperature-programmed reaction (TPRx) of oxidative dehydrogenation of propane. We use an expanded basis set including both globally optimized computed clusters and bulk standards. Not only can we track reversible composition/oxidation state change with temperature, but also the irreversible growth of the bulk fraction upon heating, which we attribute to cluster sintering. This has important implications for the mechanism of the catalyzed reaction and the nature of the available active sites. Here, we propose that operando XANES provides most significant insight into the nature of supported cluster catalysts in reaction conditions when interpreted using mixed computed cluster and bulk standards.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Selective Hydrogenation of Biomass-Derived 2(5H)-Furanone to γ-Butyrolactone over Ni-Based Bimetallic Catalysts

2(5H)-Furanone was selectively hydrogenated to γ-butyrolactone (GBL) over Ni-based bimetallic catalysts, Ni-M/SiO2 (M = Fe, Co, Cu, and Zn). Catalyst characterization showed that the metal dispersion and reducibility were changed after introducing a second metal, while the physical morphology was nearly unchanged. The most active and selective bimetallic catalyst was found to be Ni–Fe/SiO2. The reaction rate constant over the 4 wt %Ni–1 wt %Fe/SiO2 bimetallic catalyst was 0.06 min–1, doubling that over 5 wt %Ni/SiO2, and the selectivity to GBL increased slightly from 86.1 to 89.5%. The Fe/(Ni+Fe) weight ratio was changed to optimize the promoting effect of Fe. The Ni–Fe bimetallic effect was further investigated using temperature-programmed desorption experiments on single crystal model surfaces with different Fe/Ni(111) structures, revealing that the enhanced catalyst activity was mainly contributed by the formation of the Ni–Fe surface alloy.

bio-inspired↗