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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 271 records · Page 15

Optimizing Mars Airplane Trajectory with the Application Navigation System

Planning complex missions requires a number of programs to be executed in concert. The Application Navigation System (ANS), developed in the NAS Division, can execute many interdependent programs in a distributed environment. We show that the ANS simplifies user effort and reduces time in optimization of the trajectory of a martian airplane. We use a software package, Cart3D, to evaluate trajectories and a shortest path algorithm to determine the optimal trajectory. ANS employs the GridScape to represent the dynamic state of the available computer resources. Then, ANS uses a scheduler to dynamically assign ready task to machine resources and the GridScape for tracking available resources and forecasting completion time of running tasks. We demonstrate system capability to schedule and run the trajectory optimization application with efficiency exceeding 60% on 64 processors.

Frumkin, Michael↗

Integrated Control Design for A Partially Turboelectric Aircraft Propulsion System

Electrified Aircraft Propulsion (EAP) holds great potential for reducing aviation emissions and fuel burn. A variety of EAP architectures have been proposed including partially-turboelectric configurations that combine turbofan engines with motor-driven propulsors. Such architectures exhibit coupling between subsystems and thus require an integrated control solution. To address this need, this paper presents an integrated control design strategy for a commercial single-aisle partially-turboelectric aircraft concept consisting of two wing-mounted turbofan engines and an electric motor driven tailfan propulsor. Within this architecture the turbofans serve the dual purpose of generating thrust and supplying mechanical offtake power used to generate electricity for the tailfan motor. The propulsion control system is tasked with coordinating turbofan and tailfan operation under both steady-state and transient scenarios. The paper introduces a linear state-space representation of the architecture reflecting the coupling between the turbofan and tailfan subsystems along with loop transfer functions reflecting open- and closed-loop system dynamics. Also discussed is an applied strategy for scheduling the tailfan setpoint command based on the average sensed fan speed of the two turbofans. This approach ensures synchronized operation of the turbofan and tailfan subsystems while also allowing the turbofan fuel control design to be simplified. Performance of the integrated control design is assessed through a real-time hardware-in-the-loop test conducted at the NASA Electric Aircraft Testbed. During this test a scaled version of the electrical system and turbomachinery shaft dynamics were implemented in electrical machine hardware and evaluated under closed-loop control. Results from this facility test are presented to illustrate the efficacy of the applied integrated control design approach under steady-state and transient scenarios including a full-flight mission profile.

Electrified Aircraft Propulsion↗

Integrated Control Design for A Partially Turboelectric Aircraft Propulsion System

Electrified Aircraft Propulsion (EAP) holds great potential for reducing aviation emissions and fuel burn. A variety of EAP architectures have been proposed including partially-turboelectric configurations that combine turbofan engines with motor-driven propulsors. Such architectures exhibit coupling between subsystems and thus require an integrated control solution. To address this need, this paper presents an integrated control design strategy for a commercial single-aisle partially-turboelectric aircraft concept consisting of two wing-mounted turbofan engines and an electric motor driven tailfan propulsor. Within this architecture the turbofans serve the dual purpose of generating thrust and supplying mechanical offtake power used to generate electricity for the tailfan motor. The propulsion control system is tasked with coordinating turbofan and tailfan operation under both steady-state and transient scenarios. The paper introduces a linear state-space representation of the architecture reflecting the coupling between the turbofan and tailfan subsystems along with loop transfer functions reflecting open- and closed-loop system dynamics. Also discussed is an applied strategy for scheduling the tailfan setpoint command based on the average sensed fan speed of the two turbofans. This approach ensures synchronized operation of the turbofan and tailfan subsystems while also allowing the turbofan fuel control design to be simplified. Performance of the integrated control design is assessed through a real-time hardware-in-the-loop test conducted at the NASA Electric Aircraft Testbed. During this test a scaled version of the electrical system and turbomachinery shaft dynamics were implemented in electrical machine hardware and evaluated under closed-loop control. Results from this facility test are presented to illustrate the efficacy of the applied integrated control design approach under steady-state and transient scenarios including a full-flight mission profile.

Electrified Aircraft Propulsion↗

DeepONet-Assisted Optimization of Surface Topography for Transition Delay in A Mach 4.5 Boundary Layer

We use deep learning, an ensemble variationaltechnique (EnVar), and direct numerical simulations(DNS) to design an optimal topography for a two-dimensional roughness element that delays the on-set of laminar-turbulent transition in a Mach 4.5 flat-plate boundary layer. Deep operator networks (Deep-ONets), which have the known ability to learn com-plex nonlinear operators within dynamical systems,are used for machine learning. For the baseline config-uration of a smooth flat plate, the second-mode wavesat the DNS inflow cause a quick nonlinear breakdownof the high-speed boundary layer within the computa-tional domain. Results reported in the present studyvalidate the ability of DeepONets to model the tran-sition delay via a given topography of the roughnesselement. The computing cost to optimize the rough-ness element for minimal skin-friction drag is substan-tially lowered by the DeepONets-based reduced-ordermodel. In comparison to the baseline method of EnVaroptimization based on DNS alone, the DeepONets-based EnVar optimizer is able to delay transition pastthe outflow boundary of the computational domainwhile utilizing almost 5–6 times fewer DNS.

Machine Learning↗

Integrated Control Design for A Partially Turboelectric Aircraft Propulsion System

Electrified Aircraft Propulsion (EAP) holds great potential for reducing aviation emissions and fuel burn. A variety of EAP architectures have been proposed including partially-turboelectric configurations that combine turbofan engines with motor-driven propulsors. Such architectures exhibit coupling between subsystems and thus require an integrated control solution. To address this need, this paper presents an integrated control design strategy for a commercial single-aisle partially-turboelectric aircraft concept consisting of two wing-mounted turbofan engines and an electric motor driven tailfan propulsor. Within this architecture the turbofans serve the dual purpose of generating thrust and supplying mechanical offtake power used to generate electricity for the tailfan motor. The propulsion control system is tasked with coordinating turbofan and tailfan operation under both steady-state and transient scenarios. The paper introduces a linear state-space representation of the architecture reflecting the coupling between the turbofan and tailfan subsystems along with loop transfer functions reflecting open- and closed-loop system dynamics. Also discussed is an applied strategy for scheduling the tailfan setpoint command based on the average sensed fan speed of the two turbofans. This approach ensures synchronized operation of the turbofan and tailfan subsystems while also allowing the turbofan fuel control design to be simplified. Performance of the integrated control design is assessed through a real-time hardware-in-the-loop test conducted at the NASA Electric Aircraft Testbed. During this test a scaled version of the electrical system and turbomachinery shaft dynamics were implemented in electrical machine hardware and evaluated under closed-loop control. Results from this facility test are presented to illustrate the efficacy of the applied integrated control design approach under steady-state and transient scenarios including a full-flight mission profile.

Electrified Aircraft Propulsion↗

DeepONet-Assisted Optimization of Surface Topography for Transition Delay in a Mach 4.5 Boundary Layer

We use deep learning, an ensemble variational technique (EnVar), and direct numerical simulations(DNS) to design an optimal topography for a two-dimensional roughness element that delays the on-set of laminar-turbulent transition in a Mach 4.5 flat-plate boundary layer. Deep operator networks (DeepONets), which have the known ability to learn complex nonlinear operators within dynamical systems, are used for machine learning. For the baseline configuration of a smooth flat plate, the second-mode waves at the DNS inflow cause a quick nonlinear breakdown of the high-speed boundary layer within the computational domain. Results reported in the present study validate the ability of DeepONets to model the transition delay via a given topography of the roughness element. The computing cost to optimize the rough-ness element for minimal skin-friction drag is substantially lowered by the DeepONets-based reduced-order model. In comparison to the baseline method of EnVar optimization based on DNS alone, the DeepONets-based EnVar optimizer is able to delay transition past the outflow boundary of the computational domain while utilizing almost 5–6 times fewer DNS.

Machine Learning↗

Aeromechanics and man-machine integration technology opportunities for rotorcraft of the 1990s and beyond

Programs related to rotorcraft aeromechanics and man-machine integration are discussed which will support advanced army rotorcraft design. In aeromechanics, recent advances in computational fluid dynamics will be used to characterize the complex unsteady flowfields of rotorcraft, and a second-generation comprehensive helicopter analysis system will be used along with models of aerodynamics, engines, and control systems to study the structural dynamics of rotor/body configurations. The man-machine integration program includes the development of advanced cockpit design technology and the evaluation of cockpit and mission equipment concepts in a real-time full-combat environment.

Kerr, Andrew W.↗

Enhancing Photosynthesis Simulation Performance in ESMs with Machine Learning-Assisted Solvers

When simulating vegetation dynamics, photosynthesis accounts for a large fraction of the computational cost in most Earth System Models (ESMs). This is largely since photosynthesis is represented as a system of nonlinear equations, and the solution requires the use of an initial guess followed by many iterations of the numerical solver to obtain a solution. We use machine learning (ML) to replicate the response surface of the model’s numerical solver to improve the choice of initial guess, therefore requiring fewer iterations to obtain a final solution. We implemented this test on the leaf-level calculations as well as at the canopy scale, and for both we observed fewer iterations of the photosynthesis solver when a ML-based initial guess was implemented. The model tested here is the Energy Exascale Earth System Model - Land Model (ELM). The ML-based algorithms used here are trained on simulations from the model itself and used only to improve the initial guess for the solver; therefore, the model maintains its own set of physics to obtain the final solution. This work shows novel ways to utilize ML-based methods to improve the performance of numerical solvers in ESMs.

Massoud, Elias [ORNL] (ORCID:0000000217725361)↗

Evidence of short chains in liquid sulfur

High energy x-ray pair distribution function measurements show the average coordination number of the first shell in liquid sulfur is 1.86 ± 0.04 across the λ-transition, not precisely 2.0 as widely accepted. This indicates that upon melting, liquid sulfur does not comprise solely of S 8 rings but also possesses a significant number of short chains. Intensities of the pre-peak and first diffraction peak of the x-ray structure factor and third peak height of the pair distribution function all show deviations at the λ-transition temperature T λ , associated with the break-up of S 8 rings and the start of oligomer polymerization. A significant number of non-bonded or loosely bonded “interstitial atoms,” with an average coordination number of 0.20 ± 0.005, are also observed in the so-called “forbidden zone” between the first and second shells upon melting. The number of interstitial atoms is found to decrease to a minimum at the λ-transition, but the majority persist into the high temperature polymerized liquid. Furthermore, the existence of short chains and nearby interstitial atoms represent the two main factors required to initiate the S 8 -ring to chain transition, as proposed by recent molecular dynamics simulations.

Chemical bonding↗

Power System Frequency Dynamics Modeling, State Estimation, and Control using Neural Ordinary Differential Equations (NODEs) and Soft Actor-Critic (SAC) Machine Learning Approaches

With the global energy transition of the electric power system, grid control, supervision, and protection is becoming more challenging. With the increasing integration of renewable energy sources (RES), the system dynamics are changing, causing traditional power system dynamic modeling with swing equation-based modeling approaches to fail. Additionally, the converter-dominated power grid is decreasing the system inertia, making the power system more fragile to the frequency swings. This paper first investigates and compares the application of a model-based Kalman filter state estimation approach with (i) a model-free machine learning approach --- neural ordinary differential equations (NODEs) --- and (ii) a data-driven system identification (SysId) approach to model and infer critical state values of the power system frequency dynamics. Then a model predictive control (MPC) framework is compared to a model-free Soft Actor-Critic (SAC) reinforcement learning (RL) control algorithm in providing efficient fast frequency response (FFR) to the power system frequency dynamics. The approaches are compared in terms of their performance goals as well as their per-timestep computational efficiency. Furthermore, the comparative study for state estimation shows that for the model-free requirement, both NODEs and SysId can provide accurate state estimates; however, with increasing model complexity, NODEs can be a better choice for model identification. Similarly, the results from the FFR comparative study show that the SAC RL-based FFR, once trained, outperforms MPC with better control signals and faster computation time, making the SAC RL-based FFR better option for providing FFR to the power system.

97 MATHEMATICS AND COMPUTING↗

Learning Latent Representations to Bridge Coarse-Grained and Atomistic Resolutions in Polymer Simulations

We present a machine-learning-based framework for learning reduced-order representations of polymer chain conformations across coarse-grained (CG) and united-atom (UA) fidelities. By employing linear singular value decomposition and nonlinear autoencoders, we compress high-dimensional polymer configurations into latent spaces with minimal loss of structural accuracy. Crucially, we demonstrate a near-perfect linear mapping between CG and UA latent spaces, enabling an efficient super-resolution back-mapping procedure that reconstructs high-fidelity UA configurations from CG simulations. While minor structural inaccuracies occur, they are effectively corrected through a brief molecular dynamics relaxation, forming a practical hybrid machine learning−physics scheme. This approach establishes the key structural prerequisites for accelerated polymer dynamics simulations: a compact and accurate latent encoding of polymer chain conformations and a validated multi-fidelity mapping that permits reconstruction of UA structures from CG configurations. The extension of this framework to explicit time evolution within the latent space, enabling dynamics to be propagated at CG fidelity and decoded to UA resolution only when required, represents a natural and well-motivated direction for future work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hybrid data-driven and model-informed online tool wear detection in milling machines

Precision machining tool wear is responsible for low product throughput and quality. Monitoring the tool wear online is vital to prevent degradation in machining quality. However, direct real-time tool wear measurement is not practical. This paper presents residual-based anomaly detection models, combining a hybrid model comprised of a physics-based model and a data-driven model (a decision tree or a neural network) to predict signals of interest (e.g., power or forces) under nominal conditions, followed by Page’s cumulative sum test for detecting tool wear on-line using the computer numerical control machine measurements. The most informative features are ranked using dynamic programming and its approximation variants from real-time measurements and machine settings, such as the width of cut, depth of cut, feed rate and spindle speed, that serve as inputs to the predictive models. The baseline nominal model is incrementally updated with experimental data via a gradient boosted adaptation model to generate the residuals that account for discrepancies between the actual machine data under normal conditions and the baseline nominal model predictions. The hybrid model is validated against 20 Mazak milling machine experimental tests and one Haas run-to-failure experiment. The proposed anomaly detector is applied to synthetic data from simulations of the physics-based model at different operating conditions, measurement noise levels, and tool wear levels, and the methods were able to achieve an overall 92% accuracy in data with 1% noise. The anomaly detection methods based on hybrid model reduced the false alarms of either the data-driven or physical-based models alone, and are found to be capable of good online detection of tool wear.

Online anomaly detection↗

Machine learning inversion of interatomic force constants from single-crystal inelastic neutron scattering

Atomic vibrations govern many macroscopic properties of materials, but experiments to comprehensively probe them remain challenging. Inelastic neutron scattering (INS) is a powerful technique to map phonon dispersions in crystals, especially when leveraging modern time-of-flight (ToF) spectrometers with large detectors. However, efficiently and robustly extracting interatomic force constants (FCs) parameterizing phonon dynamics from experimental spectra remains a bottleneck due to the complexity and high dimensionality of ToF INS datasets. Here, we present a machine learning approach for the direct inversion of FCs from single-crystal INS measurements. The framework leverages synthetic training data generated using universal machine-learned force fields and an efficient physics-based forward model. We benchmark two neural architectures–one emphasizing structured latent representation learning and the other direct, supervised spectral regression–across simulated datasets for two materials under idealized and noisy conditions. The latent-representation model is subsequently applied to experimental single-crystal INS data on germanium. The model is shown to reproduce FCs derived from both first-principles simulations and from iterative optimization, and furthermore achieves reliable inference even from sparse, single-orientation measurements representing short data acquisitions. Analysis of the learned latent space reveals semantically continuous and physically interpretable encodings that support strong cross-domain generalization. By bridging theoretical and experimental domains, we establish a path toward rapid inversion of experimental spectra and data-driven interpretation of temperature-dependent lattice dynamics.

42 ENGINEERING↗

Probability Simulations by Non-Lipschitz Chaos

It has been demonstrated that classical probabilities, and in particular, probabilistic Turing machine, can be simulated by combining chaos and non-Lipschitz dynamics, without utilization of any man-made devices. Self-organizing properties of systems coupling simulated and calculated probabilities and their link to quantum computations are discussed.

classical dynamics classical probabilities probabi↗

Phase instability-coupled fracture behavior in garnet LLZO solid electrolytes: a machine learning-enabled atomistic study

Fracture in the garnet-type solid electrolyte Li 7 La 3 Zr 2 O 12 (LLZO) poses a critical threat to both the performance and safety of solid-state batteries. To unravel the coupled chemomechanical processes that govern fracture in LLZO under external loading, we carry out large-scale molecular-dynamics simulations with a validated machine-learning force field. Our results demonstrate that triaxial stresses at crack flanks trigger a localized cubic-to-tetragonal phase transformation, which is accompanied by Li-ion rearrangement. The emergent tetragonal domains feature lattice contraction normal to the fracture plane, imposing coherent misfit strains that provide an additional driving force for further crack propagation. Crucially, introducing Li deficiencies stabilizes the cubic phase, postponing the phase transition and thereby delaying fracture initiation. These findings highlight the role of intrinsic phase instability in dictating LLZO's fracture resistance and its critical connection to local Li concentration. This chemomechanical coupling points toward targeted strategies to enhance the mechanical robustness of garnet electrolytes, including tuning Li content, ensuring dopant homogeneity, and refining processing protocols.

Materials science↗

Data Science Enabled Enabled Discovery of Superconductors (Final Progress Report)

This Final Technical Report describes efforts by 4 PIs at the University of Florida (Peter Hirschfeld, Richard Hennig, Greg Stewart and James Hamlin), over the period September 2019-August 2023, to use data science and machine learning techniques to discover new conventional superconductors. The PIs constructed a discovery loop with two theorists and two experimentalists to: develop algorithms to machine learn descriptors correlating strongly with the critical temperature Tc (PI's Peter Hirschfeld, UF Physics and Richard Hennig, UF Materials Science and En), synthesize and measure properties of promising materials, and feed back the knowledge gained into the prediction algorithm. This work was motivated by the theoretical prediction and experimental discovery of high-pressure, high-pressure hydride superconductors, and to find ways to recreate the high critical temperatures in these systems at ambient pressure. Highlights from the grant include: 1) a new equation for Tc in terms of moments of the electron-phonon spectral function, improving on the so-called Allen-Dynes equation (1975); 2) study of the metastable A15 superconductor Nb3Si, formed under explosive compression at ~1000GPa to determine the kinetic barrier to the ground state structure; 3) the development of ultra-fast machine-learned atomic potentials for molecular dynamics, and 4) the discovery of superconductivity at 19K in WB2 arising from metastable defect structures in the crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sequence invariant state machines

A synthesis method and new VLSI architecture are introduced to realize sequential circuits that have the ability to implement any state machine having N states and m inputs, regardless of the actual sequence specified in the flow table. A design method is proposed that utilizes BTS logic to implement regular and dense circuits. A given state sequence can be programmed with power supply connections or dynamically reallocated if stored in a register. Arbitrary flow table sequences can be modified or programmed to dynamically alter the function of the machine. This allows VLSI controllers to be designed with the programmability of a general purpose processor but with the compact size and performance of dedicated logic.

Whitaker, S.↗

Linking Threat Agents to Targeted Organizations: A Pipeline for Enhanced Cybersecurity Risk Metrics

In this study, we present a methodology leveraging Large Language Models (LLMs) to transform Cybersecurity Threat Intelligence (CTI) narratives into actionable insights for individual organizations. Our approach automates the extraction of machine-readable adversary SKRAM (Skills, Knowledge, Resources, Authorities, and Motivation) attributes from open-source reports, extending LLM utility beyond typical interactions. This innovation enables precise, automated assessments of cybersecurity risks posed by various adversaries. Using a chain-of-thought and multi-shot prompting strategy, our methodology advances the automation of cybersecurity feature extraction for new machine-learning models that predict the risk of adversary targeting. This approach is refined using a substantial dataset of over 150 analyst-validated threat reports and synthetic organizational data from 900 companies. Here, by bootstrapping the training data with a rule-based heuristic over synthetic data, we have developed a high-accuracy machine-learning model that allows entities to dynamically prioritize threats and defensive actions.

Cyber Threat Intelligence↗