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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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NASA NTRS1986

Unified control/structure design and modeling research

To demonstrate the applicability of the control theory for distributed systems to large flexible space structures, research was focused on a model of a space antenna which consists of a rigid hub, flexible ribs, and a mesh reflecting surface. The space antenna model used is discussed along with the finite element approximation of the distributed model. The basic control problem is to design an optimal or near-optimal compensator to suppress the linear vibrations and rigid-body displacements of the structure. The application of an infinite dimensional Linear Quadratic Gaussian (LQG) control theory to flexible structure is discussed. Two basic approaches for robustness enhancement were investigated: loop transfer recovery and sensitivity optimization. A third approach synthesized from elements of these two basic approaches is currently under development. The control driven finite element approximation of flexible structures is discussed. Three sets of finite element basic vectors for computing functional control gains are compared. The possibility of constructing a finite element scheme to approximate the infinite dimensional Hamiltonian system directly, instead of indirectly is discussed.

Mingori, D. L.↗

DOE OSTI2023

XploreNAS : Explore Adversarially Robust and Hardware-efficient Neural Architectures for Non-ideal Xbars

Compute In-Memory platforms such as memristive crossbars are gaining focus as they facilitate acceleration of Deep Neural Networks (DNNs) with high area and compute efficiencies. However, the intrinsic non-idealities associated with the analog nature of computing in crossbars limits the performance of the deployed DNNs. Furthermore, DNNs are shown to be vulnerable to adversarial attacks leading to severe security threats in their large-scale deployment. Thus, finding adversarially robust DNN architectures for non-ideal crossbars is critical to the safe and secure deployment of DNNs on the edge. This work proposes a two-phase algorithm-hardware co-optimization approach called XploreNAS that searches for hardware efficient and adversarially robust neural architectures for non-ideal crossbar platforms. We use the one-shot Neural Architecture Search approach to train a large Supernet with crossbar-awareness and sample adversarially robust Subnets therefrom, maintaining competitive hardware efficiency. Our experiments on crossbars with benchmark datasets (SVHN, CIFAR10, CIFAR100) show up to ~8–16% improvement in the adversarial robustness of the searched Subnets against a baseline ResNet-18 model subjected to crossbar-aware adversarial training. We benchmark our robust Subnets for Energy-Delay-Area-Products (EDAPs) using the Neurosim tool and find that with additional hardware efficiency–driven optimizations, the Subnets attain ~1.5–1.6× lower EDAPs than ResNet-18 baseline.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Analytical ab initio hessian from a deep learning potential for transition state optimization

Identifying transition states—saddle points on the potential energy surface connecting reactant and product minima—is central to predicting kinetic barriers and understanding chemical reaction mechanisms. In this work, we train a fully differentiable equivariant neural network potential, NewtonNet, on thousands of organic reactions and derive the analytical Hessians. By reducing the computational cost by several orders of magnitude relative to the density functional theory (DFT) ab initio source, we can afford to use the learned Hessians at every step for the saddle point optimizations. We show that the full machine learned (ML) Hessian robustly finds the transition states of 240 unseen organic reactions, even when the quality of the initial guess structures are degraded, while reducing the number of optimization steps to convergence by 2–3× compared to the quasi-Newton DFT and ML methods. All data generation, NewtonNet model, and ML transition state finding methods are available in an automated workflow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Numerical Modeling & Optimization of the iProTech Pitching Inertial Pump (PIP) Wave Energy Converter (WEC) (CRADA Final Report)

This project represents a continuation of the collaboration between iProTech and NLR to simulate, optimize and design the iProTech Pitching Inertial Pump (PIP) device. The objectives of this TEAMER project are twofold: 1. Refining the physical characteristics of the existing iProTech PIP WEC-Sim model to enhance the model’s fidelity and include controllable components. Key model enhancements target the inclusion of Coulomb friction, the introduction of a controllable bypass valve, and the replacement of traditional check valves with advanced motorized ones. 2. Exploring traditional and advanced control algorithms. From traditional methods like latching control to cutting-edge reinforcement learning (RL) algorithms, the goal is to ensure the PIP device's adaptability and optimal performance across a range of ocean conditions. NLR is tasked with augmenting the WEC-Sim model and implementing the control algorithms, culminating in performance comparison analyses. iProTech will update their existing 3D models, advise on model improvements, and determine crucial system metrics. WEC-Sim, developed in MATLAB/SIMULINK with Simscape Multibody, is the main piece of software that will be used in this project. Coupled with the MATLAB RL Toolbox, it offers a robust platform for in-depth simulation and optimization of the iProTech PIP device. Building on previous work to explore the PIP design space and optimize its geometry, mass distribution, center of gravity and other key parameters, this project aims to refine iProTech’s existing numerical models and develop effective control algorithms that can seamlessly integrate into their future hardware testing campaigns.

16 TIDAL AND WAVE POWER↗

NASA NTRS1990

A robust CELP coder with source-dependent channel coding

A CELP coder using Source Dependent Channel Encoding (SDCE) for optimal channel error protection is introduced. With SDCE, each of the CELP parameters are encoded by minimizing a perceptually meaningful error criterion under prevalent channel conditions. Unlike conventional channel coding schemes, SDCE allows for optimal balance between error detection and correction. The experimental results show that the CELP system is robust under various channel bit error rates and displays a graceful degradation in SSNR as the channel error rate increases. This is a desirable property to have in a coder since the exact channel conditions cannot usually be specified a priori.

Sukkar, Rafid A.↗

DOE OSTI2023

Optimization Efforts at DWPF to Ensure Waste Tank Closure by 2037 – 24404

At the Savannah River Site (SRS) in Aiken, South Carolina, the Defense Waste Processing Facility (DWPF) produces a glass-form product by processing high-level liquid waste (HLW) with borosilicate glass in a high-heated Melter, then putting the vitrified waste into stainless-steel canisters. Since 1996, DWPF has performed this vitrification process for the liquid waste mission at the SRS; the overall objective for this mission is to reduce the volume in the upstream waste tanks, so those tanks can be emptied and operationally closed. This mission seeks to eliminate the single biggest environmental risk in the state of South Carolina, which requires a robust processing strategy within the DWPF, along with optimal interface between the other facilities in the liquid waste organization (LWO). As of the end of July 2023, DWPF has safely remediated 63.7 MCi of HLW, and filled 4,319 canisters (We project that about 4,000 more canisters are needed to be filled to reach the closure goal.)

Armstead, III, Frank L.↗

DOE OSTI2025

Decayheatml

This code is designed to predict and analyze the decay heat generated in molten salt reactors (MSRs) using a hybrid approach that combines machine learning and segmented polynomial fitting. The accurate prediction of decay heat is essential for reactor safety and the optimization of spent fuel storage. The code operates through several key components: 1) Data Architecture: It incorporates a modular data architecture that handles various MSR-specific operational parameters such as power density, humidity content, and air ingress. These parameters are sampled using Sobol sequences to ensure comprehensive coverage of operational uncertainties. 2) Machine Learning Framework: The code employs a diverse set of machine learning models, including polynomial regression, decision trees, random forests, gradient boosting, support vector regression, k-nearest neighbors, multi-layer perceptrons, and symbolic regression. These models are trained to predict decay heat over a wide temporal range, from immediate shutdown up to 10,000 years. 3) Region-Optimized Training: The temporal domain is divided into multiple regions, each modeled separately to capture distinct decay heat characteristics across different time scales. This approach significantly improves the accuracy and interpretability of predictions. 4) Segmented Polynomial Interpretation (SPI): The SPI method translates machine learning predictions into piecewise polynomial equations. These equations are physically interpretable and can be directly integrated into existing engineering workflows and safety analyses. 5) Front-End Interfaces: The code includes both a Jupyter notebook interface for research development and a Streamlit web application for operational deployment. These interfaces allow users to interactively explore decay heat predictions, adjust operational parameters, and visualize results in real-time. 6) Applications: The framework supports various applications, including safety system validation and spent fuel container optimization. It enables real-time evaluation of worst-case decay heat scenarios, informing the design of passive safety systems and optimizing container designs for long-term storage. Overall, this code provides a robust, accurate, and user-friendly tool for predicting decay heat in MSRs, enhancing reactor safety, and optimizing spent fuel management.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

NASA NTRS1991

Microgravity vibration isolation: An optimal control law for the one-dimensional case

Certain experiments contemplated for space platforms must be isolated from the accelerations of the platform. An optimal active control is developed for microgravity vibration isolation, using constant state feedback gains (identical to those obtained from the Linear Quadratic Regulator (LQR) approach) along with constant feedforward gains. The quadratic cost function for this control algorithm effectively weights external accelerations of the platform disturbances by a factor proportional to (1/omega) exp 4. Low frequency accelerations are attenuated by greater than two orders of magnitude. The control relies on the absolute position and velocity feedback of the experiment and the absolute position and velocity feedforward of the platform, and generally derives the stability robustness characteristics guaranteed by the LQR approach to optimality. The method as derived is extendable to the case in which only the relative positions and velocities and the absolute accelerations of the experiment and space platform are available.

Hampton, Richard D.↗

DOE OSTI2025

Predicting Initial Trans-Membrane Pressure for Optimized Operations in UF Unit Using Random Forest

With the growing scarcity of freshwater, innovative process design mechanisms like Ultra-filtration(UF) units are increasingly gaining attention among water treatment utilities to address the rising demand. Ensuring reliable water production necessitates efficient resource utilization, minimizing downtime in UF systems. Recent advancements in machine learning (ML) have enabled the development of accurate data-driven models for Model Predictive Control (MPC), often requiring minimal prior knowledge of underlying physical processes. In this study, we present predictive regression models based on Random Forest (RF) and Auto-Regressive (AR) approaches to forecast the initial Trans-Membrane Pressure (TMP) for each filtration cycle in data generated by Direct Potable Reuse (DPR) systems. The proposed RF-based model demonstrates superior performance compared to baseline methods, including historical mean, Last Observation Carried Forward (LOCF), and naïve AR models, across various forecasting horizons in terms of root mean square (RMSE) metric. Accurate prediction of initial TMP is critical for optimizing CCRO operations, as it enables the development of robust modelling frameworks that enhance process efficiency and reliability. The demonstrated efficacy of the RF-based approach highlights its potential as a tool for real-time decision-making in water treatment systems, paving the way for advanced process optimization and sustainable water resource management.

Mukherjee, Subrata [ORNL] (ORCID:0000000309930338)↗

NASA NTRS1991

Microgravity vibration isolation: An optimal control law for the one-dimensional case

Certain experiments contemplated for space platforms must be isolated from the accelerations of the platforms. An optimal active control is developed for microgravity vibration isolation, using constant state feedback gains (identical to those obtained from the Linear Quadratic Regulator (LQR) approach) along with constant feedforward (preview) gains. The quadratic cost function for this control algorithm effectively weights external accelerations of the platform disturbances by a factor proportional to (1/omega)(exp 4). Low frequency accelerations (less than 50 Hz) are attenuated by greater than two orders of magnitude. The control relies on the absolute position and velocity feedback of the experiment and the absolute position and velocity feedforward of the platform, and generally derives the stability robustness characteristics guaranteed by the LQR approach to optimality. The method as derived is extendable to the case in which only the relative positions and velocities and the absolute accelerations of the experiment and space platform are available.

Hampton, R. D.↗

NASA NTRS1992

Optimal microgravity vibration isolation - An algebraic introduction

Certain experiments contemplated for space platforms must be isolated from the accelerations of the platforms. An optimal active control is developed for microgravity vibration isolation, using constant state feedback gains (identical to those obtained from the Linear Quadratic Regulator (LQR) approach) along with constant feedforward (preview) gains. The quadratic cost function for this control algorithm effectively weights external accelerations of the platform disturbances by a factor proportional to (1/omega) (exp 4). Low frequency accelerations (less than 50 Hz) are attenuated by greater than two orders of magnitude. The control relies on the absolute position and velocity feedback of the experiment and the absolute position and velocity feedforward of the platform, and generally derives the stability robustness characteristics quaranteed by the LQR approach to optimality. The method as derived is extendable to the case in which only the relative positions and velocities and the absolute accelerations of the experiment and space platform are available.

Hampton, R. D.↗

NASA NTRS2004

Multiobjective Aerodynamic Shape Optimization Using Pareto Differential Evolution and Generalized Response Surface Metamodels

Differential Evolution (DE) is a simple, fast, and robust evolutionary algorithm that has proven effective in determining the global optimum for several difficult single-objective optimization problems. The DE algorithm has been recently extended to multiobjective optimization problem by using a Pareto-based approach. In this paper, a Pareto DE algorithm is applied to multiobjective aerodynamic shape optimization problems that are characterized by computationally expensive objective function evaluations. To improve computational expensive the algorithm is coupled with generalized response surface meta-models based on artificial neural networks. Results are presented for some test optimization problems from the literature to demonstrate the capabilities of the method.

Madavan, Nateri K.↗

NASA NTRSDate not supplied

Mission Design Considerations for a Low-Thrust Spacecraft

Developing an executable low-thrust trajectory for use in a spaceflight mission requires the design and optimization of a deterministic trajectory as well as the validation that the selected architecture is robust to some set of uncertainties, execution errors, and potential contingencies. Uncertainty in the ability of the spacecraft and its launch vehicle to execute a trajectory as well as potential deviations such as in-flight anomalies combine with design-to constraints and requirements to complicate the optimization problem. The approach by which robust mission design was accomplished for the initial capability of NASA’s Gateway is presented as well as associated results.

NRHO↗

NASA NTRS2014

Design and Analysis of Morpheus Lander Flight Control System

The Morpheus Lander is a vertical takeoff and landing test bed vehicle developed to demonstrate the system performance of the Guidance, Navigation and Control (GN&C) system capability for the integrated autonomous landing and hazard avoidance system hardware and software. The Morpheus flight control system design must be robust to various mission profiles. This paper presents a design methodology for employing numerical optimization to develop the Morpheus flight control system. The design objectives include attitude tracking accuracy and robust stability with respect to rigid body dynamics and propellant slosh. Under the assumption that the Morpheus time-varying dynamics and control system can be frozen over a short period of time, the flight controllers are designed to stabilize all selected frozen-time control systems in the presence of parametric uncertainty. Both control gains in the inner attitude control loop and guidance gains in the outer position control loop are designed to maximize the vehicle performance while ensuring robustness. The flight control system designs provided herein have been demonstrated to provide stable control systems in both Draper Ares Stability Analysis Tool (ASAT) and the NASA/JSC Trick-based Morpheus time domain simulation.

Jang, Jiann-Woei↗

DOE OSTI2020

Stability boundary and optimal operating parameter identification in milling using Bayesian learning

Here, this paper describes a novel Bayesian learning approach for stability boundary and optimal parameter identification in milling without the knowledge of the underlying tool dynamics or material cutting force coefficients. The paper is divided into two parts. First, a Bayesian learning method for stability lobe identification using test results is described. Each axial depth and spindle speed combination is characterized by a probability of stability which is updated using Bayes’ rule when a test result (stable or unstable) is made available. A novel likelihood function is defined which incorporates knowledge of the stability behavior. Numerical results show convergence to the analytical stability lobe diagram. Second, an adaptive experimental strategy to identify optimal operating parameters that maximize material removal rate is described. Numerical evaluation shows convergence to the optimal operating point with error less than 15 % within ten tests on average. The approach is validated using experimental results. Results show that the proposed method is an efficient and robust learning method to identify the stability lobe diagram and optimal operating parameters with a limited number of tests/data points.

Bayesian machine learning↗

DOE OSTI2022

Tailorable thermoplastic insulation foam composites enabled by porous-shell hollow glass spheres and expandable thermoplastic microspheres

Here we report a simple and commercially viable strategy to produce thermoplastic composite foams using synergistic foaming approaches – incorporating porous-shell hollow-interior glass spheres (PHGS) as a filler and utilizing expandable thermoplastic microspheres (EMS) as a physical blowing agent – for thermal insulation applications. The EMS in these composites ensure formation of highly porous, low-density foam while the PHGSs provide low thermal conductivity and lightweight mechanical reinforcement. Through systematic optimization of the PHGS and EMS loadings, a lightweight, and robust insulation with thermal resistivity greater than 27.7 m·K/W (R/in. > 4) is achieved. Notably, the fabricated foams also demonstrated comparable compressive strength than some commercial thermoplastic insulating materials. Through optimization of PHGS and EMS concentrations, results indicated similar thermal performance characteristics at varying foam densities, while higher loadings of both components lead to reduced insulation performance and weak mechanical stability of the foams. The results obtained, when coupled with the potential scalability and tailor ability of the overall process towards targeted insulation performance, not only endows competitiveness with current commercial thermoplastic insulating materials but also offers great promise for the development of unique thermoplastic composite foams for a variety of insulation systems.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Mission Design Considerations for a Low-Thrust Spacecraft

mission design↗

DOE OSTI2025

Predicting Initial Trans-Membrane Pressure for Optimized Operations in UF Unit Using Random Forest

With the growing scarcity of freshwater, innovative process design mechanisms like Reverse Osmosis (RO) are increasingly gaining attention among water treatment utilities to address the rising demand. Ensuring reliable water production necessitates efficient resource utilization, minimizing downtime in (ultra-filtration) UF systems. Recent advancements in machine learning (ML) have enabled the development of accurate data-driven models for Model Predictive Control (MPC), often requiring minimal prior knowledge of underlying physical processes. In this study, we present predictive regression models based on Random Forest (RF) and Auto-Regressive (AR) approaches to forecast the initial Trans-Membrane Pressure (TMP) for each filtration cycle in data generated by Direct Potable Reuse (DPR) systems. The proposed RF-based model demonstrates superior performance compared to baseline methods, including historical mean, Last Observation Carried Forward (LOCF), and naïve AR models, across various forecasting horizons in terms of root mean square error (RMSE) metric. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent covariates across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is studied for both direct and recursive RF modelling approaches across increasing forecast horizons. Accurate prediction of initial TMP is critical for optimizing RO operations, as it enables the development of robust modelling frameworks by accurately estimating membrane fouling trends, thereby enhancing process efficiency and long-term reliability. The demonstrated efficacy of the RF-based approach highlights its potential as a tool for real-time decision-making in water treatment systems, paving the way for advanced process optimization and sustainable water resource management.

Mukherjee, Subrata [ORNL] (ORCID:0000000309930338)↗