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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 91 records · Page 5

All sources NASA NTRS DOE OSTI

DOE OSTI2025

DEVELOPMENT OF INEXPENSIVE HIGH TEMPERATURE NITI-BASED SHAPE MEMORY ALLOYS FOR POWDER BED ADDITIVE MANUFACTURING

NiTi and NiTi-based Shape Memory Alloys (SMA) exhibit a reversible solid-state phase transformation from martensite to austenite driven by thermal energy. High temperature (Mf>100°C) SMAs are martensite at room temperature and can be fabricated into solid-state actuators that return to a pre-programmed shape against a designed load after heating to transformation threshold. Reactive as-fabricated additively manufactured parts (4-D printing) is the current state of the art in manufacturing of SMAs but requires compositions compliant to rapid solidification. Existing actuator designs are developed from commercially available, highly investigated material compositions. However, existing high temperature high performance (high actuation strain, low thermal hysteresis) shape memory alloys contain significant (>10% at.) portions of high-cost Platinum Group Metals (PGMs). It is of significant scientific interest to investigate material compositions that are peer performing or superior to PGMs whose constituent elements represent a significant cost savings. Shape memory alloy properties vary significantly with small (0.1% at.) compositional changes making robust investigative sample sets very large. Computational material design can be deployed to shrink the compositional space of possible alloy combinations and reduce the experimental load in material discovery. Investigating shape memory effect (SME) and validating process additive process parameters for a single novel composition is cost intensive in both time and consumed materials. Additionally, sub-optimal processing, oxygen, or solidification rate sensitivity could render additively manufacturing specimens without micro, macro cracks, or significant chemical variance impossible. Unfortunately, such failure susceptibility cannot be simulated. Therefore, a research pathway to validate novel shape memory alloy compositions for powder bed fusion additive manufacturing without the need for powdered feedstock is also proposed. This research investigates novel high temperature shape memory alloys for actuators without platinum group alloying elements to discover one that could be commercially viable as an additive manufacturing feedstock.

Sundermann, Tayler↗

NASA NTRS1991

Active vibration absorber for CSI evolutionary model: Design and experimental results

The development of control of large flexible structures technology must include practical demonstration to aid in the understanding and characterization of controlled structures in space. To support this effort, a testbed facility was developed to study practical implementation of new control technologies under realistic conditions. The design is discussed of a second order, acceleration feedback controller which acts as an active vibration absorber. This controller provides guaranteed stability margins for collocated sensor/actuator pairs in the absence of sensor/actuator dynamics and computational time delay. The primary performance objective considered is damping augmentation of the first nine structural modes. Comparison of experimental and predicted closed loop damping is presented, including test and simulation time histories for open and closed loop cases. Although the simulation and test results are not in full agreement, robustness of this design under model uncertainty is demonstrated. The basic advantage of this second order controller design is that the stability of the controller is model independent.

Bruner, Anne M.↗

NASA NTRS1993

Spray combustion experiments and numerical predictions

The next generation of commercial aircraft will include turbofan engines with performance significantly better than those in the current fleet. Control of particulate and gaseous emissions will also be an integral part of the engine design criteria. These performance and emission requirements present a technical challenge for the combustor: control of the fuel and air mixing and control of the local stoichiometry will have to be maintained much more rigorously than with combustors in current production. A better understanding of the flow physics of liquid fuel spray combustion is necessary. This paper describes recent experiments on spray combustion where detailed measurements of the spray characteristics were made, including local drop-size distributions and velocities. Also, an advanced combustor CFD code has been under development and predictions from this code are compared with experimental results. Studies such as these will provide information to the advanced combustor designer on fuel spray quality and mixing effectiveness. Validation of new fast, robust, and efficient CFD codes will also enable the combustor designer to use them as additional design tools for optimization of combustor concepts for the next generation of aircraft engines.

Mularz, Edward J.↗

NASA NTRS1993

Spray combustion experiments and numerical predictions

The next generation of commercial aircraft will include turbofan engines with performance levels significantly better than those in the current fleet. Control of particulate and gaseous emissions will also be an integral part of the engine design criteria. These performance and emission requirements present a technical challenge for the combustor: control of the fuel and air mixing and control of the local stoichiometry will have to be maintained much more rigorously than with combustors in current production. A better understanding of the flow physics of liquid fuel spray combustion is necessary. This paper describes recent experiments on spray combustion where detailed measurements of the spray characteristics were made, including local drop-size distributions and velocities. Also, an advanced combustor CFD code has been under development and predictions from this code are compared with experimental results. Studies such as these will provide information to the advanced combustor designer on fuel spray quality and mixing effectiveness. Validation of new fast, robust, and efficient CFD codes will also enable the combustor designer to use than as valuable additional design tools for optimization of combustor concepts for the next generation of aircraft engines.

Mularz, Edward J.↗

DOE OSTI2024

Simple self-consistent method for excited states in density functional theory to characterize defect-derived behavior in wide-band-gap-based microelectronic materials

This final report summarizes the results of the Laboratory Direct Research and Development (LDRD) Project Number 229740. Wide band gap semiconductors such as gallium nitride (GaN) have features highly desirable for multiple mission electronic applications. Realization of their potential requires atomic-scale understanding of electronic behavior. The principal experimental tools for electronically probing defects in GaN are chemically undifferentiating and lack a practical theoretical counterpart needed to identify and characterize specific defects. This project investigated whether a simple idea for modeling defect excited states and their associated photoluminescence (PL) energies is viable, as a path to accelerate the understanding of defect behavior and gain valuable insights into engineering new electronic materials and devices. The research implemented a non-self-consistent total-energy evaluation of a Koopmans-type estimation of an excited electronic state energy in density functional theory (DFT) calculations, and proceeded to design, implement, and assess a self-consistent method for computing excited states based upon an OCcupation-Constrained-DFT (occ-DFT). The occ-DFT was verified in test calculations of defect excited states and validated against well-characterized PL data for 3d transition metal defects in GaN. The method proved stable and robust in computing excited states and gave accurate predictions compared to experimental PL data. The combined ground state/excited-state capability proved capable of chemically differentiating defect species in GaN. In application to 3d dopants in GaN, we reinterpreted extensive experimental literature, proposed new defects as prospective candidates for use in quantum information applications, and outlined design strategies to create and exploit these potentially useful functional defects in GaN.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Efficiently Measuring 𝑑-Wave Pairing and Beyond in Quantum Gas Microscopes

Understanding the mechanism of high-temperature superconductivity is among the most important problems in physics, one for which quantum simulation can provide new insights. However, it remains challenging to characterize superconductivity in existing cold-atom quantum simulation platforms. Here, in this work, we introduce a protocol for measuring a broad class of observables in fermionic quantum gas microscopes, including long-range superconducting pairing correlations (after a repulsive-to-attractive mapping). The protocol only requires global controls followed by site-resolved particle number measurements—capabilities that have been already demonstrated in multiple experiments—and is designed by analyzing the Hilbert space of fermions on two sites. The protocol is sample-efficient and we further optimize our pulses for robustness to experimental imperfections such as lattice inhomogeneity. Our Letter introduces a general tool for manipulating quantum states on optical lattices, enhancing their ability to tackle problems such as high-temperature superconductivity.

Hubbard model↗

NASA NTRS2020

Molecular Simulations of Ultrafast Radiation Induced Melting at Metal-Semiconductor Interfaces

Understanding radiation induced ultrafast melting at material interfaces is essential in designing robust electronic devices for aviation/space applications and in laser machining. While it is difficult to achieve the spatial and temporal resolution required to quantify the phenomenon experimentally, simulations can provide the detailed mechanisms of the structural changes that happen during phase transition. In this work, we use molecular simulations to study the effect of radiation damage on silicon carbide (SiC) - tungsten (W) interfaces which is of interest in high power electronics. A multi-scale approach is involved wherein the reactions at the interfaces are quantified using ab-initio molecular dynamics (MD) simulations and classical MD simulations are employed to understand the structural and diffusional changes across the material interface. Finally, coarse-grained Lennard-Jones type models are used to study the larger scale mechanisms and structures obtained due to the induced damages. We show that the response of the material to radiation damage depends on factors such as energy of the incident radiation, thermal properties, and molecular structure of the material.

Ravichandran, Ashwin↗

NASA NTRSDate not supplied

Extending mARC II Arc-Jet Test Duration via Design and Implementation of Model System Cooling Sleeve

The mARC II is a 30 kW arc-jet facility at NASA Ames Research Center used to generate high-enthalpy flows for low-cost thermal protection system (TPS) technology development. Sustained operation of downstream instrumentation and material samples is constrained by thermal loading transmitted through the arc-jet test environment, limiting achievable run times and experimental throughput. This work presents the design, integration, and validation of a cooling sleeve implemented on the sweep arm drive motor feedthrough to mitigate thermal accumulation during testing. The addition of the cooling sleeve is a simple, robust upgrade that translates directly into enhanced facility capability by supporting longer run durations, reduced turnaround time, and higher throughput.

numerical simulations↗

NASA NTRS2024

Automation of the ICME Workflow Incorporating Material Digital Twins at Different Length Scales Within a Robust Information Management System

Recent successes in Integrated Computational Materials Engineering (ICME) have demonstrated the potential in designing ‘fit-for-purpose’ materials for a given application in a cost and time efficient manner. However, the material design process must contain a level of judicious automation in the material decision process; that is implementing some optimization algorithms to truly enable the benefits of ICME, particularly when considering materials at multiple length and time scales. Furthermore, the ability to effectively store developed material models, experimental data used for validation, and link models at multiple length and time scales must be implemented to ensure traceability across the material design process, such that the data gathered can be leveraged towards efficient material design. To enable such an optimization scheme a robust framework must exist: (1) that can capture changes made at a given length scale, (2) automatically propagate changes upstream to the highest scale, and (3) evaluate the material’s performance at the structural level. In this work, a developed framework for tracking material changes, automatically running the necessary simulations to determine the properties at the next highest scale, and saving each iteration of the design process to maintain the application’s digital thread is presented for polymer matrix composites (PMCs). The Automated Information Management Across Organizations and Scales (AIMAOS) program offers users an interactive graphical user interface (GUI) for defining constituent materials, building lamina and laminates, and applying effective laminate properties to finite element and composite optimization third party software. At each length scale, the necessary input files are automatically written, and subsequent analysis tools are called to solve for effective properties at the next scale, which are then read by the AIMAOS tool and displayed to the user. As changes are made to the material at lower length scales, information is automatically propagated upstream to higher length scales, and changes made are automatically tracked and versioned to maintain traceability during the design process. The AIMAOS tools serves as the first step in enabling optimized design of composites from the nano to the macroscale for a given application.

Brandon L Hearley↗

DOE OSTI2026

LaueMatching: an approach for rapid and robust indexing of Laue diffraction patterns

Traditional Laue diffraction pattern indexing often struggles with noisy data, weak signals, peak overlap and missing reflections, particularly from complex or deformed microstructures. Here, we introduce LaueMatching, a high-throughput indexing algorithm designed to overcome these limitations. LaueMatching utilizes a fundamentally different approach based on direct pattern correlation: experimentally pre-processed images are compared against a comprehensive pre-computed library of simulated diffraction patterns corresponding to a dense grid of possible orientations. This approach bypasses the need for explicit peak identification and fitting, steps that are often a failure point for traditional methods. The algorithm rapidly and robustly indexes multiple crystallographic orientations and crystal systems simultaneously, even from challenging patterns. LaueMatching's effectiveness and accuracy have been rigorously tested and validated on diverse experimental (Ni, Al, EuAl 2 O 4 ) and simulated diffraction patterns, demonstrating high-fidelity orientation refinement. Code to implement this approach on both CPU and GPU resources can be downloaded from https://github.com/AdvancedPhotonSource/LaueMatching.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Extending mARC II Arc-Jet Test Duration via Design and Implementation of Model System Cooling Sleeve

sting arm↗

DOE OSTI2025

DuctGPT: A Generative Transformer for Forward Screening of Ductile Refractory Multi-Principal Element Alloys

Designing ductile materials for extreme environments such as fusion reactors requires a deep understanding of the complex interplay between electronic structure, mechanical stability, and wide compositional space. Here, in this work, we introduce DuctGPT, a physics-informed, GPT-powered machine learning platform that enables rapid and accurate prediction of ductility across a wide range of refractory multi-principal element alloys (MPEAs). Trained on both experimental and high-fidelity computational data, DuctGPT integrates descriptors such as density of states at the Fermi level, elastic constants, and valence electron concentration to capture the fundamental mechanisms governing ductile versus brittle behavior. Using this framework, we screen over 1000 compositions in of body-centered cubic (BCC) MPEAs, including two new alloy classes, i.e., NbTa-rich (NbTa $>$ 50 at.%) NbTa-Ti-V and W-rich ($>$ 50 at.%) W-Ti-V MPEAs, to rapidly identify promising alloy compositions with enhanced ductility. Validation against experimental data confirms the model's ability to predict ductility with high fidelity and low uncertainty. By leveraging conversational AI and robust physical modeling, DuctGPT provides a blueprint for the next generation of alloy design assistants, enabling human-AI collaboration in the accelerated discovery of ductile, high-performance materials for fusion, aerospace, and advanced manufacturing.

AI/ML↗

NASA NTRS1992

Digital implementation of vibration suppression controllers for LSS

A synthesis procedure for positivity controllers is described, and both simulation and experimental results for vibration suppression control experiments at the NASA Marshall ACES and the NASA Langley MiniMAST ground test facilities are presented. Positivity-designed controllers provide general stability robustness to modeling errors, coupled with controller phase compensation which provides stability margins required for actual implementation. A multivariable scaling method of positivity-designed controllers is used for the on-line tuning of nominal digital controllers. A phase compensation method uses model information to predict system measurements and controller states for compensating the nominal controllers for unmodeled time delays in the system.

Bosse, A.↗

NASA NTRS2001

Capillary Flow in Containers of Polygonal Section: Theory and Experiment

An improved understanding of the large-length-scale capillary flows arising in a low-gravity environment is critical to that engineering community concerned with the design and analysis of spacecraft fluids management systems. Because a significant portion of liquid behavior in spacecraft is capillary dominated it is natural to consider designs that best exploit the spontaneous character of such flows. In the present work, a recently verified asymptotic analysis is extended to approximate spontaneous capillary flows in a large class of cylindrical containers of irregular polygonal section experiencing a step reduction in gravitational acceleration. Drop tower tests are conducted using partially-filled irregular triangular containers for comparison with the theoretical predictions. The degree to which the experimental data agree with the theory is a testament to the robustness of the basic analytical assumption of predominantly parallel flow. As a result, the closed form analytical expressions presented serve as simple, accurate tools for predicting bulk flow characteristics essential to practical low-g system design and analysis. Equations for predicting corner wetting rates, total container flow rates, and transient surfaces shapes are provided that are relevant also to terrestrial applications such as capillary flow in porous media.

Weislogel, Mark M.↗

DOE OSTI2024

Development and Validation of a Process Model and Open-Source Process Simulator for Microalgae-Based Tertiary Phosphorus Recovery

Microalgae-based tertiary wastewater treatment has the potential to meet stringent effluent phosphorus limits, with the added benefit of producing a marketable feedstock. However, the lack of validated mechanistic models and their implementation in process simulators have limited the adoption of this technology. In this study, an updated lumped pathway metabolic model (Phototrophic-Mixotrophic Process Model, PM 2 ), including both photoautotrophic and heterotrophic metabolisms of microalgae, was developed to predict effluent phosphorus concentration and biomass yield in response to dynamic influent and varying environmental conditions. The model was implemented in QSDsan – an open-source, Python-based design and simulation platform – for robust simulation under uncertainty. A global sensitivity analysis was performed to prioritize model parameters for calibration. The model was then calibrated and validated using batch experimental data and 45 days of continuous online monitoring data from a full-scale (568 m 3 ·d -1 ) microalgae-based tertiary wastewater treatment plant (EcoRecover process). In particular, along with dynamic influent composition, temperature and light intensity data with diel variation were provided as model inputs to reflect the microalgal behavior under day-night cycling. Overall, the QSDsan-based microalgae process simulator was able to predict effluent phosphorus within 0.02–0.04 mg-P·L -1 , while also capturing the general trends of state variables according to nutrient availability.

Lumped pathway metabolic model↗

NASA NTRS1993

Robust tracking control of a magnetically suspended rigid body

This study is an application of H-infinity and microsynthesis for designing robust tracking controllers for the Large Angle Magnetic Suspension Test Facility. The modeling, design, analysis, simulation, and testing of a control law that guarantees tracking performance under external disturbances and model uncertainties is investigated. The type of uncertainties considered and the tracking performance metric used is discussed. This study demonstrates the tradeoff between tracking performance at low frequencies and robustness at high frequencies. Two sets of controllers were designed and tested. The first set emphasized performance over robustness, while the second set traded off performance for robustness. Comparisons of simulation and test results are also included. Current simulation and experimental results indicate that reasonably good robust tracking performance can be attained for this system, using multivariable robust control approach.

Lim, Kyong B.↗

NASA NTRS1994

Robust tracking control of a magnetically suspended rigid body

This study is an application of H-infinity and micro-synthesis for designing robust tracking controllers for the Large Angle Magnetic Suspension Test Facility. The modeling, design, analysis, simulation, and testing of a control law that guarantees tracking performance under external disturbances and model uncertainties is investigated. The type of uncertainties considered and the tracking performance metric used is discussed. This study demonstrates the tradeoff between tracking performance at low frequencies and robustness at high frequencies. Two sets of controllers were designed and tested. The first set emphasized performance over robustness, while the second set traded off performance for robustness. Comparisons of simulation and test results are also included. Current simulation and experimental results indicate that reasonably good robust tracking performance can be attained for this system using multivariable robust control approach.

Lim, Kyong B.↗

NASA NTRS2000

Experimental Verification of Electric Drive Technologies Based on Artificial Intelligence Tools

In this report, a fully integrated prototype of a flight servo control system is successfully developed and implemented using brushless dc motors. The control system is developed by the fuzzy logic theory, and implemented with a multilayer neural network. First, a neural network-based architecture is introduced for fuzzy logic control. The characteristic rules and their membership functions of fuzzy systems are represented as the processing nodes in the neural network structure. The network structure and the parameter learning are performed simultaneously and online in the fuzzy-neural network system. The structure learning is based on the partition of input space. The parameter learning is based on the supervised gradient decent method, using a delta adaptation law. Using experimental setup, the performance of the proposed control system is evaluated under various operating conditions. Test results are presented and discussed in the report. The proposed learning control system has several advantages, namely, simple structure and learning capability, robustness and high tracking performance and few nodes at hidden layers. In comparison with the PI controller, the proposed fuzzy-neural network system can yield a better dynamic performance with shorter settling time, and without overshoot. Experimental results have shown that the proposed control system is adaptive and robust in responding to a wide range of operating conditions. In summary, the goal of this study is to design and implement-advanced servosystems to actuate control surfaces for flight vehicles, namely, aircraft and helicopters, missiles and interceptors, and mini- and micro-air vehicles.

Rubaai, Ahmed↗