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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

An Adaptive Multiparameter Penalty Selection Method for Multiconstraint and Multiblock ADMM

This work presents a new method for online selection of multiple penalty parameters for the alternating direction method of multipliers (ADMM) algorithm applied to optimization problems with multiple constraints or functions with block matrix components. ADMM is widely used for solving constrained optimization problems in a variety of fields, including signal and image processing. Implementations of ADMM often utilize a single hyperparameter, referred to as the penalty parameter, which needs to be tuned to control the rate of convergence. However, in problems with multiple constraints, ADMM may demonstrate slow convergence regardless of penalty parameter selection due to scale differences between constraints. Accounting for scale differences between constraints to improve convergence in these cases requires introducing a penalty parameter for each constraint. The proposed method is able to adaptively account for differences in scale between constraints, providing robustness with respect to problem transformations and initial selection of penalty parameters. It is also simple to understand and implement. Our numerical experiments demonstrate that the proposed method performs favorably compared to a variety of existing penalty parameter selection methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Competing Orders in Correlated Materials: Impact of Disorder and Non-Equilibrium Perturbationsn (Final Report)

The goal of this project was to explore, understand, and ultimately control the competing electronic ordered states ubiquitously present in correlated materials, with particular emphasis in unconventional superconductors, such as iron based and copper based materials. While on the one hand the competition with different types of magnetic, orbital, and charge order limits the transition temperatures of these unconventional superconductors, on the other hand the enlarged ground state degeneracy associated with these multiple many body instabilities can give rise to unusual inhomogeneous correlated normal states, such as electronic smectic and nematic phases. To achieve the aforementioned goals, we employed a multi faceted theoretical approach consisting of: (i) The investigation of relatively unexplored regimes with the potential to unveil novel behaviors – in particular, the study of competing phases taken out of equilibrium to explore the potential to enhance the transition temperatures of unconventional superconductors by optical pulses. (ii) The embracement of realistic features of correlated materials in their microscopic descriptions – in particular, the investigation of the impact that disorder, in its various forms, has on competing and emergent inhomogeneous states present in the phase diagrams of unconventional superconductors. (iii) The promotion of synergy with established and novel experimental probes (with particular emphasis on scanning tunneling microscopy and ultrafast spectroscopy) not only by using data as input of theoretical models, but also by providing concrete guidance for experiments. Selected highlights include: the development of a unifying model to explain the rich landscape of electronic ordered phases observed in iron-based superconductors; the demonstration, in concrete settings, of how disorder and optical pulses can be used to tilt the balance between competing orders; the development and application of the concept of vestigial orders beyond electronic nematicity; the elucidation of nematic properties of several correlated systems, such as iron pnictides, iron chalcogenides, cuprates, f-electron systems, and nickel arsenides. Overall, significant progress in the understanding of competing and emergent states in correlated materials was achieved during this award, providing promising avenues to control and tune the different types of electronic orders observed in their phase diagrams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mechanisms Underlying Plastocyanin-Cytochrome f Electron Transfer Investigated via Site-Specific Linear and Two-dimensional Infrared Spectroscopy

The goal of this research is to further our understanding of biological electron transfer in photosynthesis through the development and application of new methods for studying proteins with high spatial and temporal detail. Biological electron transfer occurs between metal sites imbedded in proteins where the environment and its motions can be very different from those of normal bulk liquids. Moreover, electron transfer between two proteins typically involves short-lived binding interactions within a highly mobile complex. We have directed our studies at photosynthetic electron transfer proteins plastocyanin and cytochrome f. We have labeled two key ligands to the copper ion of plastocyanin with carbon deuterium probe vibrations that enable their selective analysis by infrared spectroscopy. This analysis has shown that association of plastocyanin with cytochrome f leads to large changes in the bonding between the copper ion and ligands. In addition, the probes have been used to assess the contribution of the protein scaffold of plastocyanin in dictating the copper coordination geometry. We also have made progress to extend our experiments from equilibrium to non-equilibrium studies. The studies help to illuminate how proteins are tuned to control biological electron transfer. A better understanding of electron transfer reactions in natural photosynthesis will bolster efforts to develop artificial systems for energy production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Multidimensional Coherent Spectroscopy of van der Waals materials and heterostructures (Final Technical Report)

This project advanced multidimensional coherent spectroscopy (MDCS) and related spectroscopic-imaging methods as quantitative probes of many-body optical excitations in two-dimensional (2D) van der Waals (vdW) semiconductors and their heterostructures. Monolayer transition-metal dichalcogenides (TMDs) such as MoSe 2 and WSe 2 provide a uniquely strong platform for excitonic physics due to reduced dielectric screening, which enhances Coulomb interactions and makes higher-order correlated states (e.g., biexcitons and exciton–trion correlations) more prominent than in conventional bulk semiconductors. At the same time, the same sensitivity that enables strong interactions also increases susceptibility to spatial inhomogeneity—e.g., strain gradients, wrinkles, nanoscale disorder potentials, and charge puddling—which can broaden resonances, obscure interaction signatures, and complicate device-to-device reproducibility. The work reported here addressed this dual opportunity and challenge by: (i) developing and deploying coherent multidimensional methods (including double-quantum MDCS) capable of isolating interaction signals with reduced background, (ii) integrating electrostatic control to tune carrier populations and interaction strengths in situ, and (iii) introducing complementary spatially resolved photoluminescence (PL) techniques—hyperspectral PL imaging and polarization-/field-dependent PL lineshape analysis—to directly quantify disorder, strain, and localization that govern the coherent response.

36 MATERIALS SCIENCE↗
DOE OSTI2023

One-Pot Synthesis of Melamine Formaldehyde Resin-Derived N-Doped Porous Carbon for CO 2 Capture Application

The design and synthesis of porous carbons for CO 2 adsorption have attracted tremendous interest owing to the ever-soaring concerns regarding climate change and global warming. Herein, for the first time, nitrogen-rich porous carbon was prepared with chemical activation (KOH) of commercial melamine formaldehyde resin (MF) in a single step. It has been shown that the porosity parameters of the as-prepared carbons were successfully tuned by controlling the activating temperature and adjusting the amount of KOH. Thus, as-prepared N-rich porous carbon shows a large surface area of 1658 m 2 /g and a high N content of 16.07 wt%. Benefiting from the unique physical and textural features, the optimal sample depicted a CO 2 uptake of up to 4.95 and 3.30 mmol/g at 0 and 25 °C under 1 bar of pressure. More importantly, as-prepared adsorbents show great CO 2 selectivity over N 2 and outstanding recyclability, which was prominently important for CO 2 capture from the flue gases in practical application. An in-depth analysis illustrated that the synergetic effect of textural properties and surface nitrogen decoration mainly determined the CO 2 capture performance. However, the textural properties of carbons play a more important role than surface functionalities in deciding CO 2 uptake. In view of cost-effective synthesis, outstanding textural activity, and the high adsorption capacity together with good selectivity, this advanced approach becomes valid and convenient in fabricating a unique highly efficient N-rich carbon adsorbent for CO 2 uptake and separation from flue gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Disentangling High Harmonic Generation from Surface and Bulk States of a Topological Insulator

The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive topological surface states (TSSs) with unique charge and spin properties. High-order harmonic generation (HHG) has emerged as a powerful tool to probe condensed matter systems by providing insights into their electronic structure and dynamic behavior. Here, we investigate HHG in the prototype 3D-TI Bi$_2$Se$_3$. We demonstrate that the contributions of bulk and surface states to the harmonic emission can be controlled by tuning the thickness of thin film samples. An ultrathin (6 nm) film substantially enhances HHG from the surface states, while the bulk states dominate HHG in a thicker (50 nm) film. By applying a quasi-static terahertz perturbing field, we disentangle the bulk and surface responses and reveal the significant impact of the surface states' shift vector and Berry curvature on HHG. Our study provides effective methods for isolating the optical responses of TSSs from those of the bulk, which opens the door to resolving an ongoing debate regarding whether it is possible to reliably extract topological signatures in HHG.

Atomic Physics (physics.atom-ph)↗
NASA NTRS1982

Optimal sun-alignment techniques of large solar arrays in electric propulsion spacecraft

Optimum sun-alignment of large solar arrays in electric propulsion spacecraft operating in earth orbit requires periodic roll motions around the thrust axis, synchronized with the apparent conical motion of the sun line. This oscillation is sustained effectively with the aid of gravity gradient torques while only a small share of the total torque is being contributed by the attitude control system. Tuning the system for resonance requires an appropriate choice of moment-of-inertia characteristics. To minimize atmospheric drag at low orbital altitudes the solar array is oriented parallel, or nearly parallel, to the flight direction. This can increase the thrust-to-drag ratio by as much as an order of magnitude. Coupled with optimal roll orientation, this feathering technique will permit use of electric propulsion effectively at low altitudes in support of space shuttle or space station activities and in spiral ascent missions.

Meissinger, H. F.↗
NASA NTRS2002

Acoustic Benefits of Stator Sweep and Lean for a High Tip Speed Fan

A model high-speed fan stage was acoustically tested in the NASA Glenn 9- by 15-Foot Low Speed Wind Tunnel at takeoff/approach flight conditions. The fan was designed for a corrected rotor tip speed of 442 m/s (1450 ft/s), and had a powered core, or booster stage, giving the model a nominal bypass ratio of 5. The model also had a simulated engine pylon and nozzle bifurcation contained within the bypass duct. The fan was tested with three stator sets to evaluate acoustic benefits associated with a swept and leaned stator and with a swept integral vane/frame stator which incorporated some of the swept and leaned features as well as eliminated some of the downstream support structure. The baseline fan with the wide chord rotor and baseline stator approximated a current GEAE CF6 engine. A flyover effective perceived noise level (EPNL) code was used to generate relative EPNL values for the various configurations. Flyover effective perceived noise levels (EPNL) were computed from the model data to help project noise benefits. A tone removal study was also performed. The swept and leaned stator showed a 3 EPNdB reduction at lower fan speeds relative to the baseline stator; while the swept integral vane/frame stator showed lowest noise levels at intermediate fan speeds. Removal of the bypass blade passage frequency rotor tone (BPF) showed a 4 EPNdB reduction for the baseline and swept and leaned stators, and a 6 EPNdB reduction for the swept integral vane/ frame stator. Therefore, selective tone removal techniques such as active noise control and/or tuned liner could be particularly effective in reducing noise levels for certain fan speeds.

Woodward, Richard P.↗
NASA NTRS2005

Aligned Single Wall Carbon Nanotube Polymer Composites Using an Electric Field

While high shear alignment has been shown to improve the mechanical properties of single wall carbon nanotubes (SWNT)-polymer composites, it is difficult to control and often results in degradation of the electrical and dielectric properties of the composite. Here, we report a novel method to actively align SWNTs in a polymer matrix, which allows for control over the degree of alignment of SWNTs without the side effects of shear alignment. In this process, SWNTs are aligned via field-induced dipolar interactions among the nanotubes under an AC electric field in a liquid matrix followed by immobilization by photopolymerization while maintaining the electric field. Alignment of SWNTs was controlled as a function of magnitude, frequency, and application time of the applied electric field. The degree of SWNT alignment was assessed using optical microscopy and polarized Raman spectroscopy and the morphology of the aligned nanocomposites was investigated by high resolution scanning electron microscopy. The structure of the field induced aligned SWNTs is intrinsically different from that of shear aligned SWNTs. In the present work, SWNTs are not only aligned along the field, but also migrate laterally to form thick, aligned SWNT percolative columns between the electrodes. The actively aligned SWNTs amplify the electrical and dielectric properties in addition to improving the mechanical properties of the composite. All of these properties of the aligned nanocomposites exhibited anisotropic characteristics, which were controllable by tuning the applied field conditions.

Park, Cheol↗
NASA NTRS2008

Toward Optimal Transport Networks

Strictly evolutionary approaches to improving the air transport system a highly complex network of interacting systems no longer suffice in the face of demand that is projected to double or triple in the near future. Thus evolutionary approaches should be augmented with active design methods. The ability to actively design, optimize and control a system presupposes the existence of predictive modeling and reasonably well-defined functional dependences between the controllable variables of the system and objective and constraint functions for optimization. Following recent advances in the studies of the effects of network topology structure on dynamics, we investigate the performance of dynamic processes on transport networks as a function of the first nontrivial eigenvalue of the network's Laplacian, which, in turn, is a function of the network s connectivity and modularity. The last two characteristics can be controlled and tuned via optimization. We consider design optimization problem formulations. We have developed a flexible simulation of network topology coupled with flows on the network for use as a platform for computational experiments.

Alexandrov, Natalia↗
NASA NTRS2024

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗
NASA NTRSDate not supplied

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

The formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗
NASA NTRSDate not supplied

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗
DOE OSTI2020

Utilization of protein film electrochemistry to characterize the mechanisms imparting aerotolerance and bidirectionality in soluble, multimeric [NiFe]-hydrogenases (Final Report for Grant No. DE-SC0008074)

The overall goal of this project was to better understand how structural features control functional aspects of enzymes involved in catalysis in which a substrate is oxidized or reduced. Two types of model enzymes were explored: the soluble [NiFe]-hydrogenase from Pyrococcus furiousus and the thiosulfate reductase from Pyrobaculum aerophilum. Both are models for complex, multielectron transformations such as nitrogen and carbon dioxide reduction, and parts of important biogeochemical cycles. In this project, electrochemical methods were used to define the activities of these enzymes and targeted variants designed to modulate activity. We showed that the catalytic activity of the soluble hydrogenase from Pyrococcus furiosus can be modulated by removing large parts of the enzyme far from the active site. This surprising result suggests that interactions between functional centers far apart within the enzyme may be essential for controlling and tuning activity. We also showed that the catalytic activity of thiosulfate reductase from Pyrobaculum aerophilum can be modulated by changing the metal at the active site to be either molybdenum or tungsten. These results contribute to our understanding of how the protein environment can tune the reactivity of an embedded metal, catalytic center. The results were and are being published in peer-reviewed, scientific publications.

08 HYDROGEN↗
DOE OSTI2025

Controlling the Ru Island Decoration on Ni Nanoparticles to Tune the Activity for 5-Hydroxylmethylfurfural (HMF) Oxidation

Controlling the island decoration on metal nanoparticle supports is a major opportunity for improving the catalytic activity and an attractive synthetic challenge. The structure of the decorating metal determines how it interacts with the metal support and how it effectively catalyzes the reactants and the intermediates. In this work, we demonstrate that a slow-growth method maximizes the formation of Ru islands on faceted, branched Ni nanoparticles, thereby controlling the number of Ru–Ni atomic interactions and improving the catalytic activity. The Ru islands on branched Ni nanoparticles with the highest loading of Ru (9%) exhibited the highest activity for the electro-oxidation of biomass-derived 5-hydroxymethylfurfural (HMF). In conclusion, these results demonstrate the ability to synthetically control the second metal decoration to tune metal–support interactions, thereby enhancing the catalytic activity.

5-hydroxymethylfurfural↗
NASA NTRS2015

Design and Testing of a Dynamically-Tuned Magnetostrictive Spring with Electrically-Controlled Stiffness

This paper details the development of an electrically-controlled, variable-stiffness spring based on magnetostrictive materials. The device, termed a magnetostrictive Varispring, can be applied as a semi-active vibration isolator or switched stiffness vibration controller for reducing transmitted vibrations. The Varispring is designed using 1D linear models that consider the coupled electrical response, mechanically-induced magnetic diffusion, and the effect of internal mass on dynamic stiffness. Modeling results illustrate that a Terfenol-D-based Varispring has a rise time almost an order of magnitude smaller and a magnetic diffusion cut-off frequency over two orders of magnitude greater than a Galfenol-based Varispring. The results motivate the use of laminated Terfenol-D rods for a greater stiffness tuning range and increased bandwidth. The behavior of a prototype Varispring is examined under vibratory excitation up to 6 MPa and 25 Hz using a dynamic load frame. For this prototype, stiffness is indirectly varied by controlling the excitation current. Preliminary measurements of continuous stiffness tuning via sinusoidal currents up to 1 kHz are presented. The measurements demonstrate that the Young's modulus of the Terfenol-D rod inside the Varispring can be continuously varied by up to 21.9 GPa. The observed stiffness tuning range is relatively constant up to 500 Hz, but significantly decreases thereafter. The stiffness tuning range can be greatly increased by improving the current and force control such that a more consistent current can be applied and the Varispring can be accurately tested at a more optimal bias stress.

Vibration control↗