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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
NASA NTRS2012

Metroplex Optimization Model Expansion and Analysis: The Airline Fleet, Route, and Schedule Optimization Model (AFRS-OM)

This report describes the Airline Fleet, Route, and Schedule Optimization Model (AFRS-OM) that is designed to provide insights into airline decision-making with regards to markets served, schedule of flights on these markets, the type of aircraft assigned to each scheduled flight, load factors, airfares, and airline profits. The main inputs to the model are hedged fuel prices, airport capacity limits, and candidate markets. Embedded in the model are aircraft performance and associated cost factors, and willingness-to-pay (i.e. demand vs. airfare curves). Case studies demonstrate the application of the model for analysis of the effects of increased capacity and changes in operating costs (e.g. fuel prices). Although there are differences between airports (due to differences in the magnitude of travel demand and sensitivity to airfare), the system is more sensitive to changes in fuel prices than capacity. Further, the benefits of modernization in the form of increased capacity could be undermined by increases in hedged fuel prices

Sherry, Lance↗
NASA NTRS1992

A new algorithm for L2 optimal model reduction

In this paper the quadratically optimal model reduction problem for single-input, single-output systems is considered. The reduced order model is determined by minimizing the integral of the magnitude-squared of the transfer function error. It is shown that the numerator coefficients of the optimal approximant satisfy a weighted least squares problem and, on this basis, a two-step iterative algorithm is developed combining a least squares solver with a gradient minimizer. Convergence of the proposed algorithm to stationary values of the quadratic cost function is proved. The formulation is extended to handle the frequency-weighted optimal model reduction problem. Three examples demonstrate the optimization algorithm.

Spanos, J. T.↗
NASA NTRS1990

Optimal model reduction and frequency-weighted extension

In this paper the quadratically optimal model reduction problem for single-input, single-output systems is considered. The reduced order model is determined by minimizing the integral of the magnitude-squared of the transfer function error. It is shown that the numerator coefficients of the optimal approximant satisfy a weighted least squares problem and, on this basis, a two-step iterative algorithm is developed combining a least squares solver with a gradient minimizer. The existence of globally optimal stable solutions to the optimization problem is established, and convergence of the algorithm to stationary values of the cost function is proved. The formulation is extended to handle the frequency-weighted optimal model reduction problem. Three examples demonstrate the optimization algorithm.

Spanos, J. T.↗
DOE OSTI2024

Optimization Model and Algorithm for Capacity Planning and Operation of Reliable and Carbon-neutral Power Systems with High Penetration of Renewable Generation

In this work, we propose a Generalized Disjunctive Programming (GDP) model that optimizes both long-term capacity planning (such as the number and size of dispatchable/renewable generators, batteries, and transmission lines) and hourly operation (such as on/off schedules of dispatchable generators, power output from each generator, and power flow) to maximize power system reliability while minimizing total cost and CO2 emissions.

Cho, Seolhee↗
DOE OSTI2026

Gradient-informed Hamiltonian Monte Carlo for multicomponent CALPHAD model optimization and uncertainty quantification

CALPHAD model parameter optimization is inherently challenging due to non-smooth objective functions, high-dimensional parameter spaces, and the need for uncertainty quantification (UQ). Traditional weighted nonlinear least squares approaches are computationally efficient but local, whereas black-box global optimizers and ensemble Markov Chain Monte Carlo (MCMC) methods provide broader exploration at substantial computational cost. The objective of this work is to combine the global exploration capability of gradient-informed Hamiltonian Monte Carlo – specifically the No-U-Turn Sampler (NUTS) – with local deterministic refinement using BFGS to efficiently optimize multicomponent CALPHAD models with minimal manual intervention. Analytic gradients are computed via the Jansson derivative framework. The methodology is demonstrated on the Cr—Fe binary system and extended to the Cr—Fe—Ni ternary system with 32 degrees of freedom. For Cr—Fe, NUTS achieves comparable or superior optimality relative to ensemble MCMC while requiring over an order-of-magnitude fewer likelihood evaluations. Parameter uncertainties are quantified through NUTS sampling and propagated to thermodynamic observables using local expansion, demonstrating a novel modular approach that combines binary and ternary parameter subsets without requiring global relaxation. These results establish gradient-informed exploration as a scalable strategy for multicomponent CALPHAD optimization and provide a practical route towards efficient higher-order database development with quantified uncertainty.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Spares-optimized model

Computerized spares optimization for Space Shuttle Project comprises analytical process for developing spares quantification and budget forecasts. Model, which assesses risk associated with recommended spares quantities, is enconomical way to determine best mix of large number of spare types.

Cain, A. W.↗
NASA NTRS1984

Manual of phosphoric acid fuel cell power plant optimization model and computer program

An optimized cost and performance model for a phosphoric acid fuel cell power plant system was derived and developed into a modular FORTRAN computer code. Cost, energy, mass, and electrochemical analyses were combined to develop a mathematical model for optimizing the steam to methane ratio in the reformer, hydrogen utilization in the PAFC plates per stack. The nonlinear programming code, COMPUTE, was used to solve this model, in which the method of mixed penalty function combined with Hooke and Jeeves pattern search was chosen to evaluate this specific optimization problem.

Lu, C. Y.↗
DOE OSTI2024

Distributionally Robust Bilevel Optimization Model for Distribution Network With Demand Response Under Uncertain Renewables Using Wasserstein Metrics

Here, we consider a distribution network integrating demand response (DR) participants in the presence of uncertain renewable suppliers and outdoor temperatures. A bilevel optimization model is proposed to capture the intricate dynamics between price-incentivized DR participants and distribution system operations, including energy procurement and active/reactive power flows. The model is formulated as a distributional robust bilevel optimization using Wasserstein metrics. We show favorable data-driven properties including out-of-sample guarantee and asymptotic consistency. Furthermore, we present a tractable mixed-integer linear programming reformulation and characterize the worst-case distribution. Computational experiments are conducted on a modified 33-bus system. Our findings underscore the efficacy of the pricing strategies derived from the proposed bilevel optimization model. These strategies not only effectively manage DR participants' behavior but also bring equity considerations among households with various characteristics to light. The results contribute to a deeper understanding of the interplay between distribution system operators and DR participants.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2020

GISS Model E2.2: A Climate Model Optimized for the Middle Atmosphere. Part 1: Model Structure, Climatology, Variability and Climate Sensitivity

We introduce a new climate model (GISS E2.2) that has been specially optimized for the Middle Atmosphere, and whose output is being contributed to the CMIP6 archive. The top of the model is at a geopotential altitude of 89 km, and parameterizations of moist convection and various forms of gravity wave drag based on tropospheric processes are chosen specifically for this optimization. We first evaluate the model in its configuration as a coupled atmosphere-chemistry model with respect to its simulation of the mean state of the Middle Atmosphere, from the mesosphere down through the Upper Troposphere/Lower Stratosphere. Then we assess its use as a coupled atmosphere-ocean climate model by exploring its mean ocean climatology. To evaluate its variability, we report on its simulation of the primary modes in the troposphere, stratosphere and ocean. Two climate change simulations are presented, the responses to instantaneous increases of 2xCO2 and 4xCO2, run with two different ocean models. Sensitivity studies are performed to illustrate the effect of parameterizations on the model results. We compare these results to the lower vertical resolution/top GISS Model E2.1, whose output has also been submitted to CMIP6. The different choices made for these models are explored. It is shown that important improvements in the circulation above and below the tropopause can be obtained when attention is paid to representation of Middle Atmosphere processes in climate model development.

D. Rind↗
NASA NTRS1997

A Critical Survey of Optimization Models for Tactical and Strategic Aspects of Air Traffic Flow Management

This document presents a critical review of the principal existing optimization models that have been applied to Air Traffic Flow Management (TFM). Emphasis will be placed on two problems, the Generalized Tactical Flow Management Problem (GTFMP) and the Ground Holding Problem (GHP), as well as on some of their variations. To perform this task, we have carried out an extensive literature review that has covered more than 40 references, most of them very recent. Based on the review of this emerging field our objectives were to: (i) identify the best available models; (ii) describe typical contexts for applications of the models; (iii) provide illustrative model formulations; and (iv) identify the methodologies that can be used to solve the models. We shall begin our presentation below by providing a brief context for the models that we are reviewing. In Section 3 we shall offer a taxonomy and identify four classes of models for review. In Sections 4, 5, and 6 we shall then review, respectively, models for the Single-Airport Ground Holding Problem, the Generalized Tactical FM P and the Multi-Airport Ground Holding Problem (for the definition of these problems see Section 3 below). In each section, we identify the best available models and discuss briefly their computational performance and applications, if any, to date. Section 7 summarizes our conclusions about the state of the art.

Bertsimas, Dimitris↗
DOE OSTI2024

Enhancing the accuracy and generality of the Debye–Grüneisen Model: Optimizing the volume dependence for accurate predictions across varied compositions

In this work, we have introduced an optimized Debye-Grüneisen model that revolutionizes the determination of the Debye temperature and Grüneisen parameters. Unlike conventional methods, our model requires only the 0 K energy volume data for a material as input, eliminating the need to determine the bulk modulus and its pressure derivative, which often pose challenges due to numerical uncertainties. This unique feature sets our model apart from existing approaches and streamlines the process, enabling accurate predictions of thermal expansion behavior across various materials. To demonstrate its effectiveness, we showcase its excellent agreement with measured coefficients of thermal expansion (CTE) for the nickel-cobalt-chromium-aluminum-yttrium (Ni-Co-Cr-Al-Y) bond-coating system. Additionally, we apply our approach by conducting a high-throughput search for potential bond-coating materials among 90,000 compositions within the aluminum-cobalt-chromium-iron-nickel (Al-Co-Cr-Fe-Ni) system. From this extensive search, four compositions are synthesized, and the measured CTE values agree very well with theoretical predictions, hence validating our approach. In conclusion, the current optimized Debye-Grüneisen model combined with Density Functional Theory (DFT)-based thermodynamic database enables reliable and efficient high-throughput calculations of CTE of of a material without expensive phonon calculations.

Bond coating materials↗
DOE OSTI2024

A tri-level optimization model for interdependent infrastructure network resilience against compound hazard events

Resilient operation of interdependent infrastructures against compound hazard events is essential for maintaining societal well-being. To address consequence assessment challenges in this problem space, we propose a novel policy-guided tri-level optimization model applied to a proof-of-concept case study with fuel distribution and transportation networks – encompassing one realistic network; one fictitious, yet realistic network; as well as networks drawn from three synthetic distributions. Mathematically, our approach takes the form of a defender-attacker-defender (DAD) model—a multi-agent tri-level optimization, comprised of a defender, attacker, and an operator acting in sequence. Here, in this study, our notional operator may choose proxy actions to operate an interdependent system comprised of fuel terminals and gas stations (functioning as supplies) and a transportation network with traffic flow (functioning as demand) to minimize unmet demand at gas stations. A notional attacker aims to hypothetically disrupt normal operations by reducing supply at the supply terminals, and the notional defender aims to identify best proxy defense policy options which include hardening supply terminals or allowing alternative distribution methods such as trucking reserve supplies. We solve our DAD formulation at a metropolitan scale and present practical defense policy insights against hypothetical compound hazards. We demonstrate the generalizability of our framework by presenting results for a realistic network; a fictitious, yet realistic network; as well as for three networks drawn from synthetic distributions. Additionally, we demonstrate the scalability of the framework by investigating runtime performance as a function of the network size. Steps for future research are also discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A high fidelity and user-friendly equation-oriented optimization model for carbon capture using a novel water-lean solvent

Research Triangle Institute (RTI) International and SLB have developed a novel water-lean solvent technology for carbon capture, demonstrating low specific reboiler duty (SRD) values at capture rates exceeding 90%. At the Technology Centre Mongstad (TCM) pilot plant, the technology achieved an SRD of 2.55 GJ/t-CO2 at 95% capture, utilizing an intercooler and a 5°C temperature approach in the lean/rich solvent cross exchanger. To meet varying carbon capture targets for Front End Engineering and Design (FEED) studies and to enable real-time optimization and advanced process control, an efficient optimization model is required. This model needs to minimize energy demand for a given capture rate and determine optimal operating parameters in response to fluctuating flue gas conditions. While an existing Aspen Plus simulation model, developed by RTI and SLB, accurately matches TCM plant data, its sequential modular (SM) strategy is too slow for real-time applications due to recycle streams and tight heat integration inherent in solvent-based carbon capture processes. Although an equation-oriented (EO) modeling strategy is more suitable for optimizing these processes, its adoption has been limited by several factors: feature limitations in Aspen Plus EO mode (e.g., lack of balance block support), a less user-friendly interface for variable identification and loop solving, complex troubleshooting of convergence issues, and the necessity for accurate initial values.

carbon capture↗
NASA NTRS1986

An optimization model for the US Air-Traffic System

A systematic approach for monitoring U.S. air traffic was developed in the context of system-wide planning and control. Towards this end, a network optimization model with nonlinear objectives was chosen as the central element in the planning/control system. The network representation was selected because: (1) it provides a comprehensive structure for depicting essential aspects of the air traffic system, (2) it can be solved efficiently for large scale problems, and (3) the design can be easily communicated to non-technical users through computer graphics. Briefly, the network planning models consider the flow of traffic through a graph as the basic structure. Nodes depict locations and time periods for either individual planes or for aggregated groups of airplanes. Arcs define variables as actual airplanes flying through space or as delays across time periods. As such, a special case of the network can be used to model the so called flow control problem. Due to the large number of interacting variables and the difficulty in subdividing the problem into relatively independent subproblems, an integrated model was designed which will depict the entire high level (above 29000 feet) jet route system for the 48 contiguous states in the U.S. As a first step in demonstrating the concept's feasibility a nonlinear risk/cost model was developed for the Indianapolis Airspace. The nonlinear network program --NLPNETG-- was employed in solving the resulting test cases. This optimization program uses the Truncated-Newton method (quadratic approximation) for determining the search direction at each iteration in the nonlinear algorithm. It was shown that aircraft could be re-routed in an optimal fashion whenever traffic congestion increased beyond an acceptable level, as measured by the nonlinear risk function.

Mulvey, J. M.↗
NASA NTRS2010

An Optimization Model for Scheduling Problems with Two-Dimensional Spatial Resource Constraint

Traditional scheduling problems involve determining temporal assignments for a set of jobs in order to optimize some objective. Some scheduling problems also require the use of limited resources, which adds another dimension of complexity. In this paper we introduce a spatial resource-constrained scheduling problem that can arise in assembly, warehousing, cross-docking, inventory management, and other areas of logistics and supply chain management. This scheduling problem involves a twodimensional rectangular area as a limited resource. Each job, in addition to having temporal requirements, has a width and a height and utilizes a certain amount of space inside the area. We propose an optimization model for scheduling the jobs while respecting all temporal and spatial constraints.

Garcia, Christopher↗
DOE OSTI2025

Optimization of an aerostructural machining process using physics-guided Bayesian stability modelling

Existing algorithms for predicting milling chatter have not been widely adopted in industry since they require specialized instruments to measure the stability inputs. This study describes how the machining process for a meter-scale aluminum aerostructure was optimized using a physics-guided Bayesian stability model. The study was performed in collaboration with an industrial partner on production machines to evaluate the practicality of the proposed method under real-world conditions. For each cutting tool, the Bayesian approach automatically selected a small number of cutting tests, which were monitored using a microphone to observe the chatter frequency. The algorithm learned the system dynamics, cutting forces, and stability map from these test results. A novel algorithm for predicting tool bending stress was incorporated into the test selection algorithm to avoid tool breakage. On average, each set of optimized cutting parameters required less than six tests to identify and were 97% more productive than baseline parameters from the cutting tool manufacturer. The machining program was then further optimized using commercial feedrate scheduling software to remove cutting force spikes and reduce air cutting time. Five components were machined using the optimized process. These results demonstrate the potential for physics-guided Bayesian models to improve productivity in industrial settings.

Cornelius, Aaron [UT Knoxville]↗
DOE OSTI2025

Computational Analysis and Optimized Modeling of Geomagnetically Induced Currents in Power Transformers

In this project we aim to better understand the effect of geomagnetically induced currents (GIC) on power transformers. Expanding upon our previous work focused on producing a methodology for accuracy-enhanced computation of GIC signatures (i.e., time-domain current magnitude variation for the event duration) from a combination of physics-based and data-driven computational tools, we propose the use of these GIC signatures as inputs for a physically-detailed and optimized model of the power transformer to investigate how GIC determination and transformer modeling influence the evaluation of GIC effects on the transformer operation, as well as in its interaction with the power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2010

Optimizing Air Transportation Service to Metroplex Airports: Analysis Using the Airline Schedule Optimization Model (ASOM) - Par 2

The air transportation system is a significant driver of the U.S. economy, providing safe, affordable, and rapid transportation. During the past three decades airspace and airport capacity has not grown in step with demand for air transportation; the failure to increase capacity at the same rate as the growth in demand results in unreliable service and systemic delay. This report describes the results of an analysis of airline strategic decision-making that affects geographic access, economic access, and airline finances, extending the analysis of these factors using historic data (from Part 1 of the report). The Airline Schedule Optimization Model (ASOM) was used to evaluate how exogenous factors (passenger demand, airline operating costs, and airport capacity limits) affect geographic access (markets-served, scheduled flights, aircraft size), economic access (airfares), airline finances (profit), and air transportation efficiency (aircraft size). This analysis captures the impact of the implementation of airport capacity limits, as well as the effect of increased hedged fuel prices, which serve as a proxy for increased costs per flight that might occur if auctions or congestion pricing are imposed; also incorporated are demand elasticity curves based on historical data that provide information about how passenger demand is affected by airfare changes.

Donoue, George↗